USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 49 GLN :FLIP amide:sc= -0.276 F(o=-3.6,f=-0.55) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.272 X(o=-0.55,f=-0.55) 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 -15:sc= -1.85 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 13 GLN : amide:sc= -0.0055 X(o=-0.0055,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -7.47! C(o=-7.5!,f=-7.8!) 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 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 43:sc= 1.31 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 27 HIS : no HE2:sc= -3.93 K(o=-3.9,f=-9.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -70:sc= -0.0439 USER MOD Single : A 33 THR OG1 : rot 100:sc= 1.9 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0.997 (180deg=0.794) USER MOD Single : A 35 TYR OH : rot 60:sc= -1.42 USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.96 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -59:sc= 0.993 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0931 USER MOD Single : A 80 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.21) 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= -0.609 (180deg=-2.49!) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -1.32 (180deg=-1.32) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.1! (180deg=-5.94!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.14! (180deg=-12.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.647 -0.555 -7.573 1.00 0.00 N ATOM 2 CA VAL A 4 3.364 0.625 -8.025 1.00 0.00 C ATOM 3 C VAL A 4 2.378 1.785 -8.186 1.00 0.00 C ATOM 4 O VAL A 4 1.166 1.585 -8.129 1.00 0.00 O ATOM 5 CB VAL A 4 4.132 0.311 -9.309 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.265 0.570 -10.544 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.436 1.108 -9.378 1.00 0.00 C ATOM 0 HA VAL A 4 4.105 0.928 -7.285 1.00 0.00 H new ATOM 0 HB VAL A 4 4.388 -0.748 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.835 0.339 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.378 -0.062 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.964 1.617 -10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.962 0.865 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.212 2.175 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.064 0.853 -8.525 1.00 0.00 H new ATOM 17 N LYS A 5 2.936 2.970 -8.381 1.00 0.00 N ATOM 18 CA LYS A 5 2.121 4.162 -8.551 1.00 0.00 C ATOM 19 C LYS A 5 2.238 4.652 -9.995 1.00 0.00 C ATOM 20 O LYS A 5 3.330 4.975 -10.459 1.00 0.00 O ATOM 21 CB LYS A 5 2.496 5.218 -7.511 1.00 0.00 C ATOM 22 CG LYS A 5 1.293 6.102 -7.169 1.00 0.00 C ATOM 23 CD LYS A 5 0.153 5.273 -6.575 1.00 0.00 C ATOM 24 CE LYS A 5 -0.933 5.007 -7.618 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.078 5.924 -7.419 1.00 0.00 N ATOM 0 H LYS A 5 3.942 3.131 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 5 1.070 3.934 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.862 4.730 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.309 5.836 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.594 6.873 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.946 6.613 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.543 4.326 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.278 5.798 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.524 5.139 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.270 3.973 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.807 5.730 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.478 5.779 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.755 6.908 -7.512 1.00 0.00 H new ATOM 39 N TYR A 6 1.095 4.693 -10.667 1.00 0.00 N ATOM 40 CA TYR A 6 1.055 5.139 -12.049 1.00 0.00 C ATOM 41 C TYR A 6 0.565 6.584 -12.145 1.00 0.00 C ATOM 42 O TYR A 6 -0.567 6.887 -11.768 1.00 0.00 O ATOM 43 CB TYR A 6 0.053 4.225 -12.757 1.00 0.00 C ATOM 44 CG TYR A 6 0.480 2.757 -12.812 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.740 2.421 -13.262 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.396 1.769 -12.410 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.142 1.039 -13.313 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.006 0.387 -12.460 1.00 0.00 C ATOM 49 CZ TYR A 6 1.255 0.090 -12.909 1.00 0.00 C ATOM 50 OH TYR A 6 1.634 -1.215 -12.957 1.00 0.00 O ATOM 0 H TYR A 6 0.191 4.425 -10.279 1.00 0.00 H new ATOM 0 HA TYR A 6 2.049 5.096 -12.495 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.908 4.294 -12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.098 4.587 -13.774 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.425 3.194 -13.576 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.383 2.032 -12.058 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.125 0.762 -13.664 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.669 -0.396 -12.148 1.00 0.00 H new ATOM 0 HH TYR A 6 0.900 -1.781 -12.638 1.00 0.00 H new ATOM 60 N TYR A 7 1.440 7.441 -12.649 1.00 0.00 N ATOM 61 CA TYR A 7 1.111 8.848 -12.799 1.00 0.00 C ATOM 62 C TYR A 7 0.905 9.210 -14.271 1.00 0.00 C ATOM 63 O TYR A 7 1.508 8.601 -15.153 1.00 0.00 O ATOM 64 CB TYR A 7 2.316 9.623 -12.260 1.00 0.00 C ATOM 65 CG TYR A 7 2.824 9.120 -10.908 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.951 8.988 -9.848 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.157 8.799 -10.747 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.429 8.514 -8.574 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.636 8.326 -9.475 1.00 0.00 C ATOM 70 CZ TYR A 7 3.749 8.207 -8.451 1.00 0.00 C ATOM 71 OH TYR A 7 4.201 7.760 -7.249 1.00 0.00 O ATOM 0 H TYR A 7 2.378 7.188 -12.959 1.00 0.00 H new ATOM 0 HA TYR A 7 0.189 9.085 -12.268 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.127 9.565 -12.986 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.047 10.675 -12.167 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.908 9.240 -9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.841 8.903 -11.576 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.756 8.405 -7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.676 8.071 -9.337 1.00 0.00 H new ATOM 0 HH TYR A 7 3.533 7.948 -6.558 1.00 0.00 H new ATOM 81 N THR A 8 0.051 10.198 -14.491 1.00 0.00 N ATOM 82 CA THR A 8 -0.243 10.647 -15.841 1.00 0.00 C ATOM 83 C THR A 8 0.802 11.665 -16.304 1.00 0.00 C ATOM 84 O THR A 8 1.323 12.435 -15.498 1.00 0.00 O ATOM 85 CB THR A 8 -1.671 11.194 -15.858 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.797 11.875 -14.612 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.723 10.086 -15.785 1.00 0.00 C ATOM 0 H THR A 8 -0.447 10.701 -13.757 1.00 0.00 H new ATOM 0 HA THR A 8 -0.187 9.823 -16.552 1.00 0.00 H new ATOM 0 HB THR A 8 -1.824 11.781 -16.764 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.694 12.262 -14.540 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.719 10.528 -15.800 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.609 9.419 -16.640 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.592 9.520 -14.863 1.00 0.00 H new ATOM 95 N LEU A 9 1.078 11.634 -17.599 1.00 0.00 N ATOM 96 CA LEU A 9 2.053 12.545 -18.178 1.00 0.00 C ATOM 97 C LEU A 9 1.747 13.972 -17.719 1.00 0.00 C ATOM 98 O LEU A 9 2.623 14.835 -17.739 1.00 0.00 O ATOM 99 CB LEU A 9 2.096 12.385 -19.699 1.00 0.00 C ATOM 100 CG LEU A 9 1.030 13.151 -20.485 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.286 13.057 -21.991 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.375 12.673 -20.112 1.00 0.00 C ATOM 0 H LEU A 9 0.645 10.993 -18.264 1.00 0.00 H new ATOM 0 HA LEU A 9 3.056 12.305 -17.825 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.077 12.704 -20.050 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.002 11.325 -19.936 1.00 0.00 H new ATOM 0 HG LEU A 9 1.095 14.204 -20.212 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.514 13.610 -22.526 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.263 13.482 -22.221 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.264 12.012 -22.299 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.114 13.233 -20.685 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.470 11.611 -20.338 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.543 12.834 -19.047 1.00 0.00 H new ATOM 114 N GLU A 10 0.502 14.175 -17.315 1.00 0.00 N ATOM 115 CA GLU A 10 0.070 15.483 -16.851 1.00 0.00 C ATOM 116 C GLU A 10 0.866 15.895 -15.610 1.00 0.00 C ATOM 117 O GLU A 10 1.082 17.083 -15.374 1.00 0.00 O ATOM 118 CB GLU A 10 -1.433 15.495 -16.566 1.00 0.00 C ATOM 119 CG GLU A 10 -2.178 16.349 -17.594 1.00 0.00 C ATOM 120 CD GLU A 10 -3.644 16.533 -17.195 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.871 17.194 -16.159 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.504 16.008 -17.934 1.00 0.00 O ATOM 0 H GLU A 10 -0.222 13.456 -17.299 1.00 0.00 H new ATOM 0 HA GLU A 10 0.263 16.209 -17.641 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.819 14.476 -16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.614 15.885 -15.564 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.696 17.323 -17.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.121 15.876 -18.575 1.00 0.00 H new ATOM 129 N GLU A 11 1.280 14.891 -14.851 1.00 0.00 N ATOM 130 CA GLU A 11 2.047 15.135 -13.641 1.00 0.00 C ATOM 131 C GLU A 11 3.424 15.704 -13.991 1.00 0.00 C ATOM 132 O GLU A 11 3.667 16.897 -13.820 1.00 0.00 O ATOM 133 CB GLU A 11 2.177 13.858 -12.809 1.00 0.00 C ATOM 134 CG GLU A 11 1.445 13.999 -11.472 1.00 0.00 C ATOM 135 CD GLU A 11 0.628 12.743 -11.161 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.166 12.350 -12.043 1.00 0.00 O ATOM 137 OE2 GLU A 11 0.815 12.206 -10.048 1.00 0.00 O ATOM 0 H GLU A 11 1.099 13.907 -15.050 1.00 0.00 H new ATOM 0 HA GLU A 11 1.514 15.870 -13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.768 13.014 -13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.230 13.641 -12.630 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.167 14.175 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.787 14.867 -11.503 1.00 0.00 H new ATOM 144 N ILE A 12 4.287 14.824 -14.476 1.00 0.00 N ATOM 145 CA ILE A 12 5.632 15.223 -14.851 1.00 0.00 C ATOM 146 C ILE A 12 5.596 16.637 -15.434 1.00 0.00 C ATOM 147 O ILE A 12 6.464 17.457 -15.139 1.00 0.00 O ATOM 148 CB ILE A 12 6.257 14.188 -15.789 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.176 13.399 -16.533 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.217 13.269 -15.030 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.886 12.071 -15.832 1.00 0.00 C ATOM 0 H ILE A 12 4.080 13.835 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 12 6.278 15.255 -13.973 1.00 0.00 H new ATOM 0 HB ILE A 12 6.844 14.717 -16.540 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.263 13.991 -16.590 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.498 13.211 -17.557 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.647 12.543 -15.720 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.015 13.864 -14.585 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.674 12.745 -14.244 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.115 11.531 -16.381 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.795 11.471 -15.799 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.541 12.264 -14.816 1.00 0.00 H new ATOM 163 N GLN A 13 4.581 16.881 -16.250 1.00 0.00 N ATOM 164 CA GLN A 13 4.420 18.181 -16.877 1.00 0.00 C ATOM 165 C GLN A 13 4.340 19.277 -15.813 1.00 0.00 C ATOM 166 O GLN A 13 5.315 19.990 -15.576 1.00 0.00 O ATOM 167 CB GLN A 13 3.186 18.205 -17.782 1.00 0.00 C ATOM 168 CG GLN A 13 3.451 17.458 -19.090 1.00 0.00 C ATOM 169 CD GLN A 13 3.112 18.333 -20.299 1.00 0.00 C ATOM 170 OE1 GLN A 13 1.974 18.708 -20.528 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.161 18.636 -21.058 1.00 0.00 N ATOM 0 H GLN A 13 3.862 16.199 -16.491 1.00 0.00 H new ATOM 0 HA GLN A 13 5.292 18.371 -17.502 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.342 17.750 -17.264 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.909 19.237 -17.998 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.498 17.158 -19.136 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.856 16.545 -19.119 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.087 18.289 -20.809 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.039 19.215 -21.889 1.00 0.00 H new ATOM 180 N LYS A 14 3.171 19.377 -15.198 1.00 0.00 N ATOM 181 CA LYS A 14 2.952 20.373 -14.163 1.00 0.00 C ATOM 182 C LYS A 14 4.084 20.296 -13.137 1.00 0.00 C ATOM 183 O LYS A 14 4.371 21.273 -12.449 1.00 0.00 O ATOM 184 CB LYS A 14 1.558 20.215 -13.554 1.00 0.00 C ATOM 185 CG LYS A 14 1.388 18.830 -12.925 1.00 0.00 C ATOM 186 CD LYS A 14 -0.091 18.506 -12.705 1.00 0.00 C ATOM 187 CE LYS A 14 -0.259 17.380 -11.683 1.00 0.00 C ATOM 188 NZ LYS A 14 -0.964 17.875 -10.479 1.00 0.00 N ATOM 0 H LYS A 14 2.365 18.784 -15.397 1.00 0.00 H new ATOM 0 HA LYS A 14 2.977 21.376 -14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.398 20.984 -12.798 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.802 20.364 -14.325 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.837 18.076 -13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.918 18.791 -11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.615 19.397 -12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.548 18.215 -13.651 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.819 16.558 -12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.718 16.986 -11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.070 17.099 -9.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.414 18.645 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.904 18.230 -10.748 1.00 0.00 H new ATOM 202 N HIS A 15 4.698 19.123 -13.068 1.00 0.00 N ATOM 203 CA HIS A 15 5.793 18.905 -12.139 1.00 0.00 C ATOM 204 C HIS A 15 7.125 19.159 -12.847 1.00 0.00 C ATOM 205 O HIS A 15 8.069 18.382 -12.699 1.00 0.00 O ATOM 206 CB HIS A 15 5.708 17.510 -11.518 1.00 0.00 C ATOM 207 CG HIS A 15 4.404 17.232 -10.808 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.887 18.069 -9.835 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.519 16.203 -10.939 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.742 17.558 -9.408 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.516 16.401 -10.093 1.00 0.00 N ATOM 0 H HIS A 15 4.457 18.314 -13.641 1.00 0.00 H new ATOM 0 HA HIS A 15 5.720 19.612 -11.313 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.849 16.766 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.528 17.388 -10.811 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.315 18.933 -9.503 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.618 15.368 -11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.100 17.983 -8.650 1.00 0.00 H new ATOM 219 N LYS A 16 7.162 20.248 -13.600 1.00 0.00 N ATOM 220 CA LYS A 16 8.362 20.613 -14.331 1.00 0.00 C ATOM 221 C LYS A 16 8.977 21.865 -13.700 1.00 0.00 C ATOM 222 O LYS A 16 9.727 22.589 -14.353 1.00 0.00 O ATOM 223 CB LYS A 16 8.058 20.763 -15.823 1.00 0.00 C ATOM 224 CG LYS A 16 9.348 20.827 -16.642 1.00 0.00 C ATOM 225 CD LYS A 16 9.115 20.333 -18.071 1.00 0.00 C ATOM 226 CE LYS A 16 8.983 21.506 -19.043 1.00 0.00 C ATOM 227 NZ LYS A 16 8.994 21.024 -20.443 1.00 0.00 N ATOM 0 H LYS A 16 6.379 20.890 -13.719 1.00 0.00 H new ATOM 0 HA LYS A 16 9.106 19.820 -14.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.450 19.923 -16.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.472 21.667 -15.989 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.719 21.852 -16.664 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.117 20.220 -16.164 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.943 19.694 -18.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.212 19.724 -18.106 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.057 22.047 -18.846 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.802 22.208 -18.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.903 21.834 -21.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.888 20.528 -20.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.198 20.371 -20.592 1.00 0.00 H new ATOM 241 N ASP A 17 8.636 22.082 -12.438 1.00 0.00 N ATOM 242 CA ASP A 17 9.144 23.233 -11.713 1.00 0.00 C ATOM 243 C ASP A 17 9.968 22.754 -10.516 1.00 0.00 C ATOM 244 O ASP A 17 9.952 21.570 -10.182 1.00 0.00 O ATOM 245 CB ASP A 17 8.000 24.099 -11.183 1.00 0.00 C ATOM 246 CG ASP A 17 8.220 25.608 -11.307 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.931 26.152 -10.434 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.672 26.184 -12.273 1.00 0.00 O ATOM 0 H ASP A 17 8.014 21.479 -11.899 1.00 0.00 H new ATOM 0 HA ASP A 17 9.754 23.821 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.087 23.835 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.837 23.856 -10.133 1.00 0.00 H new ATOM 253 N SER A 18 10.666 23.697 -9.903 1.00 0.00 N ATOM 254 CA SER A 18 11.494 23.385 -8.750 1.00 0.00 C ATOM 255 C SER A 18 10.646 22.729 -7.659 1.00 0.00 C ATOM 256 O SER A 18 11.055 21.734 -7.065 1.00 0.00 O ATOM 257 CB SER A 18 12.178 24.642 -8.207 1.00 0.00 C ATOM 258 OG SER A 18 13.597 24.519 -8.205 1.00 0.00 O ATOM 0 H SER A 18 10.676 24.678 -10.182 1.00 0.00 H new ATOM 0 HA SER A 18 12.271 22.689 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.890 25.502 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.829 24.835 -7.192 1.00 0.00 H new ATOM 0 HG SER A 18 13.996 25.342 -7.853 1.00 0.00 H new ATOM 264 N LYS A 19 9.480 23.314 -7.428 1.00 0.00 N ATOM 265 CA LYS A 19 8.570 22.799 -6.419 1.00 0.00 C ATOM 266 C LYS A 19 8.468 21.279 -6.560 1.00 0.00 C ATOM 267 O LYS A 19 8.645 20.548 -5.586 1.00 0.00 O ATOM 268 CB LYS A 19 7.221 23.516 -6.496 1.00 0.00 C ATOM 269 CG LYS A 19 6.884 24.196 -5.168 1.00 0.00 C ATOM 270 CD LYS A 19 6.087 25.482 -5.397 1.00 0.00 C ATOM 271 CE LYS A 19 4.592 25.247 -5.168 1.00 0.00 C ATOM 272 NZ LYS A 19 3.996 26.386 -4.432 1.00 0.00 N ATOM 0 H LYS A 19 9.144 24.140 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 19 8.955 23.002 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.245 24.259 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.439 22.801 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.309 23.514 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.803 24.425 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.444 26.261 -4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.251 25.840 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.087 25.120 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.444 24.325 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.981 26.211 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.467 26.489 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.120 27.259 -4.983 1.00 0.00 H new ATOM 286 N SER A 20 8.181 20.848 -7.779 1.00 0.00 N ATOM 287 CA SER A 20 8.053 19.428 -8.060 1.00 0.00 C ATOM 288 C SER A 20 8.786 19.082 -9.357 1.00 0.00 C ATOM 289 O SER A 20 8.238 19.242 -10.447 1.00 0.00 O ATOM 290 CB SER A 20 6.582 19.016 -8.156 1.00 0.00 C ATOM 291 OG SER A 20 6.042 18.662 -6.886 1.00 0.00 O ATOM 0 H SER A 20 8.033 21.457 -8.584 1.00 0.00 H new ATOM 0 HA SER A 20 8.505 18.875 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.003 19.836 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.486 18.172 -8.839 1.00 0.00 H new ATOM 0 HG SER A 20 5.101 18.407 -6.990 1.00 0.00 H new ATOM 297 N THR A 21 10.016 18.616 -9.198 1.00 0.00 N ATOM 298 CA THR A 21 10.831 18.246 -10.343 1.00 0.00 C ATOM 299 C THR A 21 10.778 16.734 -10.569 1.00 0.00 C ATOM 300 O THR A 21 11.325 15.965 -9.780 1.00 0.00 O ATOM 301 CB THR A 21 12.247 18.776 -10.105 1.00 0.00 C ATOM 302 OG1 THR A 21 12.185 20.135 -10.531 1.00 0.00 O ATOM 303 CG2 THR A 21 13.275 18.139 -11.043 1.00 0.00 C ATOM 0 H THR A 21 10.468 18.486 -8.293 1.00 0.00 H new ATOM 0 HA THR A 21 10.450 18.693 -11.261 1.00 0.00 H new ATOM 0 HB THR A 21 12.535 18.591 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.357 20.544 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.263 18.549 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.290 17.060 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.006 18.353 -12.077 1.00 0.00 H new ATOM 311 N TRP A 22 10.115 16.354 -11.651 1.00 0.00 N ATOM 312 CA TRP A 22 9.983 14.947 -11.992 1.00 0.00 C ATOM 313 C TRP A 22 10.659 14.723 -13.347 1.00 0.00 C ATOM 314 O TRP A 22 10.810 15.659 -14.131 1.00 0.00 O ATOM 315 CB TRP A 22 8.516 14.515 -11.977 1.00 0.00 C ATOM 316 CG TRP A 22 8.010 14.079 -10.601 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.551 14.337 -9.403 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.829 13.295 -10.328 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.810 13.778 -8.382 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.729 13.124 -8.963 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.878 12.748 -11.206 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.694 12.406 -8.353 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.847 12.033 -10.582 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.734 11.852 -9.208 1.00 0.00 C ATOM 0 H TRP A 22 9.663 16.995 -12.303 1.00 0.00 H new ATOM 0 HA TRP A 22 10.478 14.322 -11.249 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.901 15.341 -12.334 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.383 13.692 -12.679 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.454 14.911 -9.255 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.017 13.834 -7.385 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.937 12.869 -12.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.639 12.286 -7.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.088 11.592 -11.211 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.909 11.286 -8.802 1.00 0.00 H new ATOM 335 N VAL A 23 11.047 13.479 -13.580 1.00 0.00 N ATOM 336 CA VAL A 23 11.704 13.121 -14.825 1.00 0.00 C ATOM 337 C VAL A 23 11.504 11.626 -15.092 1.00 0.00 C ATOM 338 O VAL A 23 11.828 10.793 -14.248 1.00 0.00 O ATOM 339 CB VAL A 23 13.178 13.526 -14.776 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.855 12.982 -13.517 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.915 13.069 -16.037 1.00 0.00 C ATOM 0 H VAL A 23 10.919 12.706 -12.927 1.00 0.00 H new ATOM 0 HA VAL A 23 11.259 13.663 -15.659 1.00 0.00 H new ATOM 0 HB VAL A 23 13.225 14.614 -14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.902 13.285 -13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.354 13.379 -12.634 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.792 11.894 -13.511 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.961 13.370 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.854 11.984 -16.121 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.456 13.527 -16.913 1.00 0.00 H new ATOM 351 N ILE A 24 10.970 11.334 -16.269 1.00 0.00 N ATOM 352 CA ILE A 24 10.722 9.955 -16.656 1.00 0.00 C ATOM 353 C ILE A 24 12.060 9.240 -16.863 1.00 0.00 C ATOM 354 O ILE A 24 12.830 9.603 -17.750 1.00 0.00 O ATOM 355 CB ILE A 24 9.800 9.899 -17.875 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.428 10.496 -17.553 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.692 8.472 -18.415 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.697 10.909 -18.832 1.00 0.00 C ATOM 0 H ILE A 24 10.702 12.028 -16.967 1.00 0.00 H new ATOM 0 HA ILE A 24 10.196 9.425 -15.862 1.00 0.00 H new ATOM 0 HB ILE A 24 10.239 10.509 -18.664 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.829 9.767 -17.007 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.548 11.362 -16.902 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.031 8.460 -19.281 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.680 8.118 -18.708 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.288 7.820 -17.641 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.725 11.330 -18.576 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.287 11.656 -19.363 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.557 10.036 -19.469 1.00 0.00 H new ATOM 370 N LEU A 25 12.294 8.239 -16.028 1.00 0.00 N ATOM 371 CA LEU A 25 13.523 7.470 -16.108 1.00 0.00 C ATOM 372 C LEU A 25 13.187 5.978 -16.133 1.00 0.00 C ATOM 373 O LEU A 25 12.327 5.519 -15.382 1.00 0.00 O ATOM 374 CB LEU A 25 14.478 7.867 -14.979 1.00 0.00 C ATOM 375 CG LEU A 25 15.660 8.751 -15.379 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.194 9.937 -16.227 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.449 9.202 -14.148 1.00 0.00 C ATOM 0 H LEU A 25 11.653 7.943 -15.292 1.00 0.00 H new ATOM 0 HA LEU A 25 14.051 7.693 -17.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.905 8.387 -14.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.869 6.957 -14.524 1.00 0.00 H new ATOM 0 HG LEU A 25 16.336 8.159 -15.996 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.053 10.550 -16.498 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.710 9.569 -17.132 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.486 10.537 -15.655 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.284 9.829 -14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.796 9.771 -13.486 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.830 8.328 -13.620 1.00 0.00 H new ATOM 389 N HIS A 26 13.883 5.261 -17.004 1.00 0.00 N ATOM 390 CA HIS A 26 13.668 3.830 -17.137 1.00 0.00 C ATOM 391 C HIS A 26 12.178 3.519 -16.985 1.00 0.00 C ATOM 392 O HIS A 26 11.810 2.492 -16.417 1.00 0.00 O ATOM 393 CB HIS A 26 14.540 3.056 -16.146 1.00 0.00 C ATOM 394 CG HIS A 26 15.983 3.501 -16.120 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.628 3.885 -14.957 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.898 3.618 -17.124 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.874 4.218 -15.260 1.00 0.00 C ATOM 398 NE2 HIS A 26 18.039 4.051 -16.604 1.00 0.00 N ATOM 0 H HIS A 26 14.596 5.645 -17.624 1.00 0.00 H new ATOM 0 HA HIS A 26 13.972 3.503 -18.131 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.119 3.164 -15.146 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.502 1.996 -16.395 1.00 0.00 H new ATOM 0 HD2 HIS A 26 16.723 3.396 -18.166 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.627 4.561 -14.565 1.00 0.00 H new ATOM 0 HE2 HIS A 26 18.898 4.230 -17.124 1.00 0.00 H new ATOM 406 N HIS A 27 11.361 4.424 -17.502 1.00 0.00 N ATOM 407 CA HIS A 27 9.919 4.259 -17.431 1.00 0.00 C ATOM 408 C HIS A 27 9.453 4.434 -15.984 1.00 0.00 C ATOM 409 O HIS A 27 8.690 3.618 -15.471 1.00 0.00 O ATOM 410 CB HIS A 27 9.495 2.916 -18.031 1.00 0.00 C ATOM 411 CG HIS A 27 8.359 3.017 -19.020 1.00 0.00 C ATOM 412 ND1 HIS A 27 8.079 2.024 -19.944 1.00 0.00 N ATOM 413 CD2 HIS A 27 7.435 4.000 -19.219 1.00 0.00 C ATOM 414 CE1 HIS A 27 7.032 2.405 -20.661 1.00 0.00 C ATOM 415 NE2 HIS A 27 6.635 3.630 -20.210 1.00 0.00 N ATOM 0 H HIS A 27 11.670 5.275 -17.972 1.00 0.00 H new ATOM 0 HA HIS A 27 9.432 5.029 -18.029 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.354 2.463 -18.525 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.202 2.245 -17.223 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.591 1.149 -20.054 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.366 4.924 -18.664 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.573 1.844 -21.462 1.00 0.00 H new ATOM 423 N LYS A 28 9.932 5.505 -15.368 1.00 0.00 N ATOM 424 CA LYS A 28 9.574 5.799 -13.991 1.00 0.00 C ATOM 425 C LYS A 28 10.067 7.201 -13.629 1.00 0.00 C ATOM 426 O LYS A 28 11.242 7.516 -13.810 1.00 0.00 O ATOM 427 CB LYS A 28 10.093 4.704 -13.057 1.00 0.00 C ATOM 428 CG LYS A 28 11.619 4.606 -13.122 1.00 0.00 C ATOM 429 CD LYS A 28 12.180 3.948 -11.860 1.00 0.00 C ATOM 430 CE LYS A 28 11.650 2.522 -11.702 1.00 0.00 C ATOM 431 NZ LYS A 28 12.440 1.581 -12.528 1.00 0.00 N ATOM 0 H LYS A 28 10.565 6.180 -15.797 1.00 0.00 H new ATOM 0 HA LYS A 28 8.491 5.801 -13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.782 4.916 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.651 3.746 -13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.913 4.029 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.046 5.602 -13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.269 3.932 -11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.908 4.540 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.698 2.224 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.602 2.483 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.067 0.617 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.373 1.857 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.435 1.607 -12.227 1.00 0.00 H new ATOM 445 N VAL A 29 9.144 8.006 -13.123 1.00 0.00 N ATOM 446 CA VAL A 29 9.470 9.367 -12.732 1.00 0.00 C ATOM 447 C VAL A 29 10.410 9.336 -11.525 1.00 0.00 C ATOM 448 O VAL A 29 10.315 8.445 -10.683 1.00 0.00 O ATOM 449 CB VAL A 29 8.187 10.158 -12.471 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.245 10.087 -13.675 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.492 9.670 -11.199 1.00 0.00 C ATOM 0 H VAL A 29 8.170 7.742 -12.975 1.00 0.00 H new ATOM 0 HA VAL A 29 9.994 9.881 -13.538 1.00 0.00 H new ATOM 0 HB VAL A 29 8.461 11.203 -12.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.341 10.657 -13.463 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.741 10.505 -14.551 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.981 9.048 -13.870 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.583 10.249 -11.036 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.237 8.616 -11.305 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.160 9.797 -10.347 1.00 0.00 H new ATOM 461 N TYR A 30 11.296 10.320 -11.480 1.00 0.00 N ATOM 462 CA TYR A 30 12.253 10.416 -10.390 1.00 0.00 C ATOM 463 C TYR A 30 12.092 11.737 -9.635 1.00 0.00 C ATOM 464 O TYR A 30 12.625 12.764 -10.054 1.00 0.00 O ATOM 465 CB TYR A 30 13.637 10.378 -11.039 1.00 0.00 C ATOM 466 CG TYR A 30 14.251 8.978 -11.112 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.470 7.868 -10.867 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.587 8.827 -11.424 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.048 6.551 -10.935 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.165 7.509 -11.493 1.00 0.00 C ATOM 471 CZ TYR A 30 15.367 6.437 -11.246 1.00 0.00 C ATOM 472 OH TYR A 30 15.913 5.192 -11.311 1.00 0.00 O ATOM 0 H TYR A 30 11.372 11.058 -12.180 1.00 0.00 H new ATOM 0 HA TYR A 30 12.105 9.606 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.566 10.785 -12.047 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.308 11.029 -10.479 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.424 7.987 -10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.199 9.696 -11.616 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.448 5.674 -10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.209 7.376 -11.736 1.00 0.00 H new ATOM 0 HH TYR A 30 15.968 4.811 -10.410 1.00 0.00 H new ATOM 482 N ASP A 31 11.355 11.669 -8.536 1.00 0.00 N ATOM 483 CA ASP A 31 11.118 12.847 -7.720 1.00 0.00 C ATOM 484 C ASP A 31 12.444 13.325 -7.124 1.00 0.00 C ATOM 485 O ASP A 31 12.732 13.065 -5.956 1.00 0.00 O ATOM 486 CB ASP A 31 10.165 12.534 -6.564 1.00 0.00 C ATOM 487 CG ASP A 31 9.987 13.664 -5.548 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.259 14.822 -5.934 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.583 13.345 -4.409 1.00 0.00 O ATOM 0 H ASP A 31 10.914 10.816 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 31 10.674 13.613 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.189 12.280 -6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.530 11.650 -6.041 1.00 0.00 H new ATOM 494 N LEU A 32 13.215 14.013 -7.952 1.00 0.00 N ATOM 495 CA LEU A 32 14.503 14.529 -7.521 1.00 0.00 C ATOM 496 C LEU A 32 14.378 16.026 -7.233 1.00 0.00 C ATOM 497 O LEU A 32 15.260 16.806 -7.588 1.00 0.00 O ATOM 498 CB LEU A 32 15.586 14.189 -8.546 1.00 0.00 C ATOM 499 CG LEU A 32 15.592 15.034 -9.822 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.906 15.804 -9.965 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.295 14.173 -11.052 1.00 0.00 C ATOM 0 H LEU A 32 12.973 14.225 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 32 14.813 14.050 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.558 14.288 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.475 13.142 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 32 14.794 15.772 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.883 16.396 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.035 16.465 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.737 15.100 -10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.305 14.798 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.054 13.396 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.314 13.711 -10.944 1.00 0.00 H new ATOM 513 N THR A 33 13.274 16.383 -6.591 1.00 0.00 N ATOM 514 CA THR A 33 13.022 17.773 -6.251 1.00 0.00 C ATOM 515 C THR A 33 14.047 18.265 -5.226 1.00 0.00 C ATOM 516 O THR A 33 14.617 19.344 -5.383 1.00 0.00 O ATOM 517 CB THR A 33 11.575 17.886 -5.766 1.00 0.00 C ATOM 518 OG1 THR A 33 10.802 17.421 -6.869 1.00 0.00 O ATOM 519 CG2 THR A 33 11.131 19.337 -5.584 1.00 0.00 C ATOM 0 H THR A 33 12.544 15.733 -6.298 1.00 0.00 H new ATOM 0 HA THR A 33 13.140 18.421 -7.120 1.00 0.00 H new ATOM 0 HB THR A 33 11.466 17.352 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.535 16.491 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.097 19.361 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.771 19.824 -4.848 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.208 19.863 -6.536 1.00 0.00 H new ATOM 527 N LYS A 34 14.250 17.451 -4.201 1.00 0.00 N ATOM 528 CA LYS A 34 15.195 17.790 -3.152 1.00 0.00 C ATOM 529 C LYS A 34 16.615 17.757 -3.720 1.00 0.00 C ATOM 530 O LYS A 34 17.422 18.640 -3.436 1.00 0.00 O ATOM 531 CB LYS A 34 14.998 16.880 -1.938 1.00 0.00 C ATOM 532 CG LYS A 34 13.516 16.565 -1.723 1.00 0.00 C ATOM 533 CD LYS A 34 13.228 15.083 -1.969 1.00 0.00 C ATOM 534 CE LYS A 34 12.051 14.904 -2.930 1.00 0.00 C ATOM 535 NZ LYS A 34 11.227 13.741 -2.530 1.00 0.00 N ATOM 0 H LYS A 34 13.776 16.557 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 34 15.018 18.804 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.554 15.953 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.404 17.362 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.228 16.831 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.910 17.173 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.114 14.600 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.007 14.590 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.439 15.806 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.421 14.763 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.346 13.733 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.756 12.863 -2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.999 13.809 -1.518 1.00 0.00 H new ATOM 549 N TYR A 35 16.877 16.728 -4.514 1.00 0.00 N ATOM 550 CA TYR A 35 18.185 16.569 -5.125 1.00 0.00 C ATOM 551 C TYR A 35 18.245 17.269 -6.484 1.00 0.00 C ATOM 552 O TYR A 35 19.044 16.898 -7.343 1.00 0.00 O ATOM 553 CB TYR A 35 18.374 15.064 -5.331 1.00 0.00 C ATOM 554 CG TYR A 35 19.687 14.691 -6.021 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.865 14.676 -5.302 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.693 14.367 -7.363 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.101 14.326 -5.952 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.929 14.014 -8.013 1.00 0.00 C ATOM 559 CZ TYR A 35 22.071 14.012 -7.275 1.00 0.00 C ATOM 560 OH TYR A 35 23.239 13.679 -7.889 1.00 0.00 O ATOM 0 H TYR A 35 16.205 15.997 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 35 18.959 17.005 -4.493 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.331 14.567 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.543 14.681 -5.923 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.860 14.927 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.771 14.378 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.030 14.313 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.948 13.757 -9.062 1.00 0.00 H new ATOM 0 HH TYR A 35 23.625 12.891 -7.453 1.00 0.00 H new ATOM 570 N LEU A 36 17.388 18.268 -6.637 1.00 0.00 N ATOM 571 CA LEU A 36 17.333 19.024 -7.877 1.00 0.00 C ATOM 572 C LEU A 36 18.513 19.996 -7.930 1.00 0.00 C ATOM 573 O LEU A 36 19.207 20.081 -8.942 1.00 0.00 O ATOM 574 CB LEU A 36 15.971 19.701 -8.032 1.00 0.00 C ATOM 575 CG LEU A 36 15.861 20.740 -9.149 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.620 22.019 -8.785 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.327 20.160 -10.486 1.00 0.00 C ATOM 0 H LEU A 36 16.726 18.571 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 36 17.431 18.357 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.222 18.929 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.718 20.184 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 36 14.811 21.009 -9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.526 22.741 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.202 22.442 -7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.673 21.785 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.238 20.920 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.367 19.845 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.708 19.301 -10.746 1.00 0.00 H new ATOM 589 N GLU A 37 18.705 20.704 -6.826 1.00 0.00 N ATOM 590 CA GLU A 37 19.790 21.667 -6.734 1.00 0.00 C ATOM 591 C GLU A 37 21.052 20.994 -6.191 1.00 0.00 C ATOM 592 O GLU A 37 22.136 21.573 -6.236 1.00 0.00 O ATOM 593 CB GLU A 37 19.389 22.862 -5.868 1.00 0.00 C ATOM 594 CG GLU A 37 18.708 23.944 -6.708 1.00 0.00 C ATOM 595 CD GLU A 37 19.355 25.310 -6.470 1.00 0.00 C ATOM 596 OE1 GLU A 37 18.920 25.986 -5.512 1.00 0.00 O ATOM 597 OE2 GLU A 37 20.270 25.649 -7.252 1.00 0.00 O ATOM 0 H GLU A 37 18.128 20.630 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 37 20.004 22.042 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 37 18.715 22.533 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.272 23.276 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.775 23.685 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.648 23.991 -6.458 1.00 0.00 H new ATOM 604 N GLU A 38 20.869 19.781 -5.691 1.00 0.00 N ATOM 605 CA GLU A 38 21.980 19.023 -5.140 1.00 0.00 C ATOM 606 C GLU A 38 22.758 18.330 -6.260 1.00 0.00 C ATOM 607 O GLU A 38 23.927 17.988 -6.090 1.00 0.00 O ATOM 608 CB GLU A 38 21.491 18.009 -4.103 1.00 0.00 C ATOM 609 CG GLU A 38 22.667 17.389 -3.347 1.00 0.00 C ATOM 610 CD GLU A 38 23.111 18.287 -2.190 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.484 19.444 -2.481 1.00 0.00 O ATOM 612 OE2 GLU A 38 23.067 17.796 -1.042 1.00 0.00 O ATOM 0 H GLU A 38 19.968 19.304 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 38 22.652 19.716 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.819 18.499 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.918 17.225 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.381 16.410 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.501 17.232 -4.031 1.00 0.00 H new ATOM 619 N HIS A 39 22.077 18.143 -7.382 1.00 0.00 N ATOM 620 CA HIS A 39 22.689 17.498 -8.530 1.00 0.00 C ATOM 621 C HIS A 39 24.037 18.157 -8.831 1.00 0.00 C ATOM 622 O HIS A 39 24.115 19.375 -8.987 1.00 0.00 O ATOM 623 CB HIS A 39 21.742 17.511 -9.731 1.00 0.00 C ATOM 624 CG HIS A 39 22.078 16.489 -10.790 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.027 16.768 -12.145 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.470 15.187 -10.680 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.375 15.676 -12.810 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.648 14.697 -11.900 1.00 0.00 N ATOM 0 H HIS A 39 21.107 18.427 -7.519 1.00 0.00 H new ATOM 0 HA HIS A 39 22.879 16.449 -8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.725 17.335 -9.380 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.756 18.504 -10.181 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.766 17.662 -12.561 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.612 14.646 -9.756 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.432 15.578 -13.884 1.00 0.00 H new ATOM 636 N PRO A 40 25.091 17.301 -8.907 1.00 0.00 N ATOM 637 CA PRO A 40 26.432 17.788 -9.188 1.00 0.00 C ATOM 638 C PRO A 40 26.582 18.159 -10.665 1.00 0.00 C ATOM 639 O PRO A 40 27.365 19.045 -11.009 1.00 0.00 O ATOM 640 CB PRO A 40 27.357 16.660 -8.762 1.00 0.00 C ATOM 641 CG PRO A 40 26.490 15.413 -8.695 1.00 0.00 C ATOM 642 CD PRO A 40 25.035 15.853 -8.730 1.00 0.00 C ATOM 0 HA PRO A 40 26.669 18.705 -8.648 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.171 16.532 -9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.812 16.872 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.709 14.751 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.697 14.853 -7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.496 15.374 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.518 15.586 -7.808 1.00 0.00 H new ATOM 650 N GLY A 41 25.821 17.465 -11.497 1.00 0.00 N ATOM 651 CA GLY A 41 25.860 17.711 -12.929 1.00 0.00 C ATOM 652 C GLY A 41 25.319 19.103 -13.261 1.00 0.00 C ATOM 653 O GLY A 41 26.063 19.972 -13.711 1.00 0.00 O ATOM 0 H GLY A 41 25.173 16.732 -11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.885 17.620 -13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.271 16.955 -13.448 1.00 0.00 H new ATOM 657 N GLY A 42 24.025 19.271 -13.026 1.00 0.00 N ATOM 658 CA GLY A 42 23.375 20.543 -13.294 1.00 0.00 C ATOM 659 C GLY A 42 21.924 20.530 -12.806 1.00 0.00 C ATOM 660 O GLY A 42 21.248 19.507 -12.887 1.00 0.00 O ATOM 0 H GLY A 42 23.410 18.548 -12.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.922 21.346 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.401 20.751 -14.364 1.00 0.00 H new ATOM 664 N GLU A 43 21.491 21.680 -12.312 1.00 0.00 N ATOM 665 CA GLU A 43 20.133 21.815 -11.811 1.00 0.00 C ATOM 666 C GLU A 43 19.172 22.126 -12.960 1.00 0.00 C ATOM 667 O GLU A 43 17.955 22.077 -12.787 1.00 0.00 O ATOM 668 CB GLU A 43 20.054 22.889 -10.724 1.00 0.00 C ATOM 669 CG GLU A 43 20.617 24.220 -11.225 1.00 0.00 C ATOM 670 CD GLU A 43 19.666 25.374 -10.903 1.00 0.00 C ATOM 671 OE1 GLU A 43 18.711 25.558 -11.689 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.915 26.046 -9.879 1.00 0.00 O ATOM 0 H GLU A 43 22.056 22.527 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 43 19.836 20.867 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.017 23.022 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.610 22.563 -9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.588 24.405 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.780 24.168 -12.302 1.00 0.00 H new ATOM 679 N GLU A 44 19.755 22.439 -14.109 1.00 0.00 N ATOM 680 CA GLU A 44 18.965 22.758 -15.285 1.00 0.00 C ATOM 681 C GLU A 44 18.736 21.502 -16.128 1.00 0.00 C ATOM 682 O GLU A 44 17.598 21.167 -16.452 1.00 0.00 O ATOM 683 CB GLU A 44 19.634 23.859 -16.112 1.00 0.00 C ATOM 684 CG GLU A 44 18.596 24.653 -16.909 1.00 0.00 C ATOM 685 CD GLU A 44 18.341 26.019 -16.267 1.00 0.00 C ATOM 686 OE1 GLU A 44 19.344 26.714 -15.995 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.150 26.336 -16.063 1.00 0.00 O ATOM 0 H GLU A 44 20.765 22.478 -14.249 1.00 0.00 H new ATOM 0 HA GLU A 44 17.996 23.133 -14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.184 24.531 -15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.360 23.416 -16.794 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.944 24.788 -17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.663 24.091 -16.960 1.00 0.00 H new ATOM 694 N VAL A 45 19.836 20.840 -16.457 1.00 0.00 N ATOM 695 CA VAL A 45 19.769 19.628 -17.256 1.00 0.00 C ATOM 696 C VAL A 45 18.586 18.779 -16.787 1.00 0.00 C ATOM 697 O VAL A 45 18.018 18.015 -17.567 1.00 0.00 O ATOM 698 CB VAL A 45 21.104 18.883 -17.187 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.783 19.099 -15.834 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.915 17.393 -17.475 1.00 0.00 C ATOM 0 H VAL A 45 20.778 21.120 -16.185 1.00 0.00 H new ATOM 0 HA VAL A 45 19.600 19.870 -18.305 1.00 0.00 H new ATOM 0 HB VAL A 45 21.757 19.293 -17.958 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.729 18.559 -15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.969 20.163 -15.686 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.135 18.730 -15.039 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.879 16.887 -17.420 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.236 16.963 -16.738 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.495 17.266 -18.473 1.00 0.00 H new ATOM 710 N LEU A 46 18.248 18.941 -15.517 1.00 0.00 N ATOM 711 CA LEU A 46 17.142 18.199 -14.935 1.00 0.00 C ATOM 712 C LEU A 46 15.833 18.938 -15.219 1.00 0.00 C ATOM 713 O LEU A 46 14.941 18.401 -15.872 1.00 0.00 O ATOM 714 CB LEU A 46 17.394 17.940 -13.449 1.00 0.00 C ATOM 715 CG LEU A 46 18.849 17.685 -13.049 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.113 18.151 -11.616 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.224 16.216 -13.252 1.00 0.00 C ATOM 0 H LEU A 46 18.721 19.576 -14.874 1.00 0.00 H new ATOM 0 HA LEU A 46 17.058 17.215 -15.396 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.028 18.797 -12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.798 17.079 -13.145 1.00 0.00 H new ATOM 0 HG LEU A 46 19.491 18.275 -13.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.154 17.958 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.911 19.219 -11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.462 17.608 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.263 16.062 -12.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.578 15.588 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.099 15.950 -14.302 1.00 0.00 H new ATOM 729 N ARG A 47 15.760 20.160 -14.712 1.00 0.00 N ATOM 730 CA ARG A 47 14.575 20.979 -14.901 1.00 0.00 C ATOM 731 C ARG A 47 14.303 21.183 -16.394 1.00 0.00 C ATOM 732 O ARG A 47 13.225 20.848 -16.883 1.00 0.00 O ATOM 733 CB ARG A 47 14.735 22.344 -14.229 1.00 0.00 C ATOM 734 CG ARG A 47 14.775 22.204 -12.706 1.00 0.00 C ATOM 735 CD ARG A 47 14.003 23.339 -12.031 1.00 0.00 C ATOM 736 NE ARG A 47 14.949 24.346 -11.496 1.00 0.00 N ATOM 737 CZ ARG A 47 14.598 25.584 -11.127 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.321 25.977 -11.230 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.522 26.430 -10.654 1.00 0.00 N ATOM 0 H ARG A 47 16.502 20.603 -14.170 1.00 0.00 H new ATOM 0 HA ARG A 47 13.735 20.457 -14.442 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.651 22.820 -14.578 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.909 22.994 -14.516 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.348 21.245 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.810 22.209 -12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.327 23.807 -12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.387 22.942 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 47 15.929 24.079 -11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.617 25.333 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.053 26.920 -10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.494 26.131 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.254 27.373 -10.373 1.00 0.00 H new ATOM 753 N GLU A 48 15.300 21.729 -17.075 1.00 0.00 N ATOM 754 CA GLU A 48 15.182 21.980 -18.501 1.00 0.00 C ATOM 755 C GLU A 48 14.333 20.893 -19.163 1.00 0.00 C ATOM 756 O GLU A 48 13.461 21.191 -19.979 1.00 0.00 O ATOM 757 CB GLU A 48 16.560 22.075 -19.157 1.00 0.00 C ATOM 758 CG GLU A 48 16.444 22.524 -20.616 1.00 0.00 C ATOM 759 CD GLU A 48 17.640 23.388 -21.019 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.639 22.795 -21.481 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.529 24.623 -20.858 1.00 0.00 O ATOM 0 H GLU A 48 16.193 22.004 -16.666 1.00 0.00 H new ATOM 0 HA GLU A 48 14.683 22.939 -18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.182 22.779 -18.604 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.057 21.106 -19.110 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.386 21.651 -21.266 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.521 23.087 -20.755 1.00 0.00 H new ATOM 768 N GLN A 49 14.618 19.654 -18.788 1.00 0.00 N ATOM 769 CA GLN A 49 13.892 18.521 -19.336 1.00 0.00 C ATOM 770 C GLN A 49 13.446 17.583 -18.212 1.00 0.00 C ATOM 771 O GLN A 49 13.700 16.380 -18.265 1.00 0.00 O ATOM 772 CB GLN A 49 14.738 17.774 -20.369 1.00 0.00 C ATOM 773 CG GLN A 49 16.020 17.230 -19.738 1.00 0.00 C ATOM 774 CD GLN A 49 17.186 17.284 -20.728 1.00 0.00 C ATOM 775 OE1 GLN A 49 17.186 16.295 -21.618 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 18.028 18.166 -20.687 1.00 0.00 N flip ATOM 0 H GLN A 49 15.341 19.410 -18.112 1.00 0.00 H new ATOM 0 HA GLN A 49 13.004 18.896 -19.845 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.160 16.953 -20.792 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.989 18.444 -21.191 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.266 17.810 -18.849 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.862 16.202 -19.413 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.968 18.896 -19.977 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.792 18.174 -21.363 1.00 0.00 H new ATOM 785 N ALA A 50 12.789 18.168 -17.221 1.00 0.00 N ATOM 786 CA ALA A 50 12.306 17.399 -16.087 1.00 0.00 C ATOM 787 C ALA A 50 11.092 16.573 -16.515 1.00 0.00 C ATOM 788 O ALA A 50 11.239 15.443 -16.979 1.00 0.00 O ATOM 789 CB ALA A 50 11.988 18.346 -14.928 1.00 0.00 C ATOM 0 H ALA A 50 12.580 19.166 -17.180 1.00 0.00 H new ATOM 0 HA ALA A 50 13.071 16.704 -15.741 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.625 17.770 -14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.890 18.887 -14.642 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.222 19.056 -15.238 1.00 0.00 H new ATOM 795 N GLY A 51 9.922 17.169 -16.346 1.00 0.00 N ATOM 796 CA GLY A 51 8.683 16.502 -16.710 1.00 0.00 C ATOM 797 C GLY A 51 8.830 15.757 -18.039 1.00 0.00 C ATOM 798 O GLY A 51 8.191 14.728 -18.252 1.00 0.00 O ATOM 0 H GLY A 51 9.805 18.107 -15.962 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.400 15.800 -15.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.880 17.235 -16.787 1.00 0.00 H new ATOM 802 N GLY A 52 9.679 16.306 -18.896 1.00 0.00 N ATOM 803 CA GLY A 52 9.919 15.706 -20.198 1.00 0.00 C ATOM 804 C GLY A 52 10.479 14.290 -20.054 1.00 0.00 C ATOM 805 O GLY A 52 10.015 13.516 -19.218 1.00 0.00 O ATOM 0 H GLY A 52 10.209 17.159 -18.715 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.989 15.677 -20.766 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.619 16.322 -20.763 1.00 0.00 H new ATOM 809 N ASP A 53 11.470 13.993 -20.882 1.00 0.00 N ATOM 810 CA ASP A 53 12.099 12.683 -20.857 1.00 0.00 C ATOM 811 C ASP A 53 13.619 12.852 -20.865 1.00 0.00 C ATOM 812 O ASP A 53 14.195 13.278 -21.866 1.00 0.00 O ATOM 813 CB ASP A 53 11.708 11.861 -22.087 1.00 0.00 C ATOM 814 CG ASP A 53 12.218 12.411 -23.421 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.153 13.649 -23.586 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.660 11.582 -24.245 1.00 0.00 O ATOM 0 H ASP A 53 11.853 14.637 -21.574 1.00 0.00 H new ATOM 0 HA ASP A 53 11.766 12.166 -19.957 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.085 10.846 -21.962 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.621 11.794 -22.130 1.00 0.00 H new ATOM 821 N ALA A 54 14.227 12.510 -19.739 1.00 0.00 N ATOM 822 CA ALA A 54 15.669 12.618 -19.603 1.00 0.00 C ATOM 823 C ALA A 54 16.270 11.220 -19.454 1.00 0.00 C ATOM 824 O ALA A 54 17.404 11.072 -19.000 1.00 0.00 O ATOM 825 CB ALA A 54 16.004 13.526 -18.417 1.00 0.00 C ATOM 0 H ALA A 54 13.746 12.157 -18.911 1.00 0.00 H new ATOM 0 HA ALA A 54 16.105 13.071 -20.494 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.086 13.607 -18.315 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.580 14.516 -18.586 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.584 13.102 -17.505 1.00 0.00 H new ATOM 831 N THR A 55 15.484 10.228 -19.846 1.00 0.00 N ATOM 832 CA THR A 55 15.924 8.846 -19.762 1.00 0.00 C ATOM 833 C THR A 55 17.309 8.687 -20.394 1.00 0.00 C ATOM 834 O THR A 55 18.263 8.307 -19.717 1.00 0.00 O ATOM 835 CB THR A 55 14.855 7.968 -20.416 1.00 0.00 C ATOM 836 OG1 THR A 55 13.833 7.872 -19.428 1.00 0.00 O ATOM 837 CG2 THR A 55 15.321 6.524 -20.611 1.00 0.00 C ATOM 0 H THR A 55 14.545 10.354 -20.223 1.00 0.00 H new ATOM 0 HA THR A 55 16.036 8.530 -18.725 1.00 0.00 H new ATOM 0 HB THR A 55 14.577 8.393 -21.381 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.649 8.762 -19.061 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.525 5.945 -21.078 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.204 6.510 -21.250 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.567 6.087 -19.643 1.00 0.00 H new ATOM 845 N GLU A 56 17.374 8.988 -21.682 1.00 0.00 N ATOM 846 CA GLU A 56 18.626 8.884 -22.413 1.00 0.00 C ATOM 847 C GLU A 56 19.628 9.921 -21.899 1.00 0.00 C ATOM 848 O GLU A 56 20.809 9.620 -21.734 1.00 0.00 O ATOM 849 CB GLU A 56 18.398 9.040 -23.917 1.00 0.00 C ATOM 850 CG GLU A 56 17.529 7.904 -24.460 1.00 0.00 C ATOM 851 CD GLU A 56 16.075 8.357 -24.623 1.00 0.00 C ATOM 852 OE1 GLU A 56 15.851 9.248 -25.470 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.223 7.800 -23.898 1.00 0.00 O ATOM 0 H GLU A 56 16.580 9.304 -22.239 1.00 0.00 H new ATOM 0 HA GLU A 56 19.042 7.891 -22.244 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.918 9.998 -24.118 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.357 9.049 -24.435 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.920 7.570 -25.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.574 7.051 -23.783 1.00 0.00 H new ATOM 860 N ASN A 57 19.118 11.121 -21.661 1.00 0.00 N ATOM 861 CA ASN A 57 19.954 12.204 -21.170 1.00 0.00 C ATOM 862 C ASN A 57 20.484 11.844 -19.781 1.00 0.00 C ATOM 863 O ASN A 57 21.401 12.489 -19.276 1.00 0.00 O ATOM 864 CB ASN A 57 19.155 13.503 -21.049 1.00 0.00 C ATOM 865 CG ASN A 57 19.260 14.334 -22.330 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.511 14.159 -23.277 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.230 15.244 -22.307 1.00 0.00 N ATOM 0 H ASN A 57 18.138 11.367 -21.799 1.00 0.00 H new ATOM 0 HA ASN A 57 20.771 12.347 -21.877 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.109 13.273 -20.845 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.524 14.084 -20.204 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.382 15.848 -23.115 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.822 15.338 -21.481 1.00 0.00 H new ATOM 874 N PHE A 58 19.883 10.815 -19.201 1.00 0.00 N ATOM 875 CA PHE A 58 20.284 10.361 -17.880 1.00 0.00 C ATOM 876 C PHE A 58 21.215 9.150 -17.976 1.00 0.00 C ATOM 877 O PHE A 58 22.187 9.052 -17.230 1.00 0.00 O ATOM 878 CB PHE A 58 19.007 9.952 -17.143 1.00 0.00 C ATOM 879 CG PHE A 58 19.255 9.362 -15.752 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.718 10.156 -14.750 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.010 8.046 -15.518 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.948 9.610 -13.460 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.240 7.499 -14.228 1.00 0.00 C ATOM 884 CZ PHE A 58 19.703 8.292 -13.226 1.00 0.00 C ATOM 0 H PHE A 58 19.121 10.283 -19.622 1.00 0.00 H new ATOM 0 HA PHE A 58 20.818 11.155 -17.359 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.360 10.824 -17.047 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.469 9.221 -17.746 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.911 11.202 -14.936 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.640 7.416 -16.313 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.317 10.240 -12.665 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.047 6.453 -14.043 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.876 7.876 -12.244 1.00 0.00 H new ATOM 894 N GLU A 59 20.882 8.260 -18.899 1.00 0.00 N ATOM 895 CA GLU A 59 21.678 7.060 -19.101 1.00 0.00 C ATOM 896 C GLU A 59 22.915 7.378 -19.942 1.00 0.00 C ATOM 897 O GLU A 59 23.974 6.784 -19.744 1.00 0.00 O ATOM 898 CB GLU A 59 20.843 5.954 -19.751 1.00 0.00 C ATOM 899 CG GLU A 59 20.761 6.148 -21.265 1.00 0.00 C ATOM 900 CD GLU A 59 21.904 5.419 -21.975 1.00 0.00 C ATOM 901 OE1 GLU A 59 22.187 4.273 -21.565 1.00 0.00 O ATOM 902 OE2 GLU A 59 22.467 6.024 -22.911 1.00 0.00 O ATOM 0 H GLU A 59 20.073 8.345 -19.515 1.00 0.00 H new ATOM 0 HA GLU A 59 22.009 6.698 -18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.284 4.982 -19.529 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.839 5.954 -19.326 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.804 5.776 -21.631 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.801 7.211 -21.501 1.00 0.00 H new ATOM 909 N ASP A 60 22.742 8.316 -20.862 1.00 0.00 N ATOM 910 CA ASP A 60 23.831 8.720 -21.733 1.00 0.00 C ATOM 911 C ASP A 60 25.009 9.200 -20.881 1.00 0.00 C ATOM 912 O ASP A 60 26.157 8.854 -21.153 1.00 0.00 O ATOM 913 CB ASP A 60 23.408 9.872 -22.646 1.00 0.00 C ATOM 914 CG ASP A 60 24.435 10.264 -23.712 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.551 9.499 -24.695 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.079 11.317 -23.520 1.00 0.00 O ATOM 0 H ASP A 60 21.863 8.808 -21.023 1.00 0.00 H new ATOM 0 HA ASP A 60 24.111 7.861 -22.343 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.477 9.599 -23.143 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.196 10.745 -22.029 1.00 0.00 H new ATOM 921 N VAL A 61 24.682 9.989 -19.868 1.00 0.00 N ATOM 922 CA VAL A 61 25.697 10.520 -18.975 1.00 0.00 C ATOM 923 C VAL A 61 26.309 9.374 -18.166 1.00 0.00 C ATOM 924 O VAL A 61 27.365 9.534 -17.556 1.00 0.00 O ATOM 925 CB VAL A 61 25.098 11.619 -18.095 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.357 12.656 -18.942 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.178 11.025 -17.027 1.00 0.00 C ATOM 0 H VAL A 61 23.728 10.273 -19.646 1.00 0.00 H new ATOM 0 HA VAL A 61 26.503 10.982 -19.545 1.00 0.00 H new ATOM 0 HB VAL A 61 25.918 12.126 -17.586 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.941 13.426 -18.292 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.051 13.113 -19.648 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.551 12.169 -19.490 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.765 11.827 -16.415 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.365 10.481 -17.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.747 10.343 -16.395 1.00 0.00 H new ATOM 937 N GLY A 62 25.618 8.243 -18.188 1.00 0.00 N ATOM 938 CA GLY A 62 26.080 7.070 -17.465 1.00 0.00 C ATOM 939 C GLY A 62 26.214 7.366 -15.969 1.00 0.00 C ATOM 940 O GLY A 62 27.297 7.701 -15.493 1.00 0.00 O ATOM 0 H GLY A 62 24.742 8.114 -18.695 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.381 6.247 -17.615 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.042 6.748 -17.863 1.00 0.00 H new ATOM 944 N HIS A 63 25.096 7.232 -15.270 1.00 0.00 N ATOM 945 CA HIS A 63 25.074 7.480 -13.840 1.00 0.00 C ATOM 946 C HIS A 63 25.806 6.351 -13.112 1.00 0.00 C ATOM 947 O HIS A 63 25.673 5.184 -13.475 1.00 0.00 O ATOM 948 CB HIS A 63 23.639 7.674 -13.343 1.00 0.00 C ATOM 949 CG HIS A 63 23.079 9.051 -13.607 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.792 9.512 -14.879 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.758 10.061 -12.749 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.318 10.747 -14.779 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.299 11.085 -13.458 1.00 0.00 N ATOM 0 H HIS A 63 24.199 6.955 -15.669 1.00 0.00 H new ATOM 0 HA HIS A 63 25.601 8.409 -13.621 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.997 6.934 -13.821 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.607 7.479 -12.271 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.923 8.991 -15.746 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.860 10.033 -11.674 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.003 11.374 -15.600 1.00 0.00 H new ATOM 961 N SER A 64 26.563 6.738 -12.094 1.00 0.00 N ATOM 962 CA SER A 64 27.316 5.773 -11.312 1.00 0.00 C ATOM 963 C SER A 64 26.403 5.113 -10.276 1.00 0.00 C ATOM 964 O SER A 64 25.272 5.550 -10.073 1.00 0.00 O ATOM 965 CB SER A 64 28.510 6.434 -10.622 1.00 0.00 C ATOM 966 OG SER A 64 29.572 6.703 -11.534 1.00 0.00 O ATOM 0 H SER A 64 26.670 7.707 -11.794 1.00 0.00 H new ATOM 0 HA SER A 64 27.700 5.009 -11.989 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.189 7.365 -10.155 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.873 5.785 -9.824 1.00 0.00 H new ATOM 0 HG SER A 64 30.315 7.127 -11.055 1.00 0.00 H new ATOM 972 N THR A 65 26.930 4.072 -9.649 1.00 0.00 N ATOM 973 CA THR A 65 26.177 3.348 -8.638 1.00 0.00 C ATOM 974 C THR A 65 25.594 4.319 -7.610 1.00 0.00 C ATOM 975 O THR A 65 24.416 4.234 -7.269 1.00 0.00 O ATOM 976 CB THR A 65 27.101 2.294 -8.025 1.00 0.00 C ATOM 977 OG1 THR A 65 26.865 1.127 -8.807 1.00 0.00 O ATOM 978 CG2 THR A 65 26.671 1.889 -6.613 1.00 0.00 C ATOM 0 H THR A 65 27.869 3.712 -9.821 1.00 0.00 H new ATOM 0 HA THR A 65 25.320 2.835 -9.074 1.00 0.00 H new ATOM 0 HB THR A 65 28.121 2.677 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.426 0.394 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.360 1.139 -6.224 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.683 2.764 -5.964 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.663 1.475 -6.644 1.00 0.00 H new ATOM 986 N ASP A 66 26.448 5.219 -7.144 1.00 0.00 N ATOM 987 CA ASP A 66 26.032 6.205 -6.161 1.00 0.00 C ATOM 988 C ASP A 66 24.633 6.714 -6.515 1.00 0.00 C ATOM 989 O ASP A 66 23.797 6.906 -5.634 1.00 0.00 O ATOM 990 CB ASP A 66 26.982 7.405 -6.147 1.00 0.00 C ATOM 991 CG ASP A 66 28.308 7.170 -5.419 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.276 6.446 -4.402 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.322 7.722 -5.898 1.00 0.00 O ATOM 0 H ASP A 66 27.425 5.286 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 66 26.040 5.727 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.196 7.693 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.472 8.248 -5.680 1.00 0.00 H new ATOM 998 N ALA A 67 24.423 6.918 -7.807 1.00 0.00 N ATOM 999 CA ALA A 67 23.140 7.403 -8.289 1.00 0.00 C ATOM 1000 C ALA A 67 22.098 6.289 -8.158 1.00 0.00 C ATOM 1001 O ALA A 67 20.992 6.523 -7.674 1.00 0.00 O ATOM 1002 CB ALA A 67 23.288 7.896 -9.729 1.00 0.00 C ATOM 0 H ALA A 67 25.119 6.757 -8.535 1.00 0.00 H new ATOM 0 HA ALA A 67 22.799 8.247 -7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.326 8.259 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.018 8.705 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.626 7.075 -10.362 1.00 0.00 H new ATOM 1008 N ARG A 68 22.490 5.103 -8.600 1.00 0.00 N ATOM 1009 CA ARG A 68 21.603 3.952 -8.538 1.00 0.00 C ATOM 1010 C ARG A 68 20.900 3.896 -7.180 1.00 0.00 C ATOM 1011 O ARG A 68 19.747 3.477 -7.091 1.00 0.00 O ATOM 1012 CB ARG A 68 22.376 2.649 -8.759 1.00 0.00 C ATOM 1013 CG ARG A 68 22.887 2.554 -10.198 1.00 0.00 C ATOM 1014 CD ARG A 68 23.231 1.108 -10.561 1.00 0.00 C ATOM 1015 NE ARG A 68 23.680 1.033 -11.970 1.00 0.00 N ATOM 1016 CZ ARG A 68 22.851 0.992 -13.021 1.00 0.00 C ATOM 1017 NH1 ARG A 68 21.525 1.018 -12.831 1.00 0.00 N ATOM 1018 NH2 ARG A 68 23.348 0.925 -14.264 1.00 0.00 N ATOM 0 H ARG A 68 23.408 4.914 -9.002 1.00 0.00 H new ATOM 0 HA ARG A 68 20.862 4.061 -9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.216 2.598 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 68 21.731 1.798 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 68 22.129 2.935 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 68 23.769 3.183 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 68 24.014 0.735 -9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.359 0.470 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 68 24.683 1.011 -12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.146 1.069 -11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.894 0.987 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 68 24.357 0.905 -14.409 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.717 0.894 -15.065 1.00 0.00 H new ATOM 1032 N GLU A 69 21.625 4.323 -6.156 1.00 0.00 N ATOM 1033 CA GLU A 69 21.084 4.326 -4.808 1.00 0.00 C ATOM 1034 C GLU A 69 20.112 5.493 -4.628 1.00 0.00 C ATOM 1035 O GLU A 69 18.953 5.290 -4.264 1.00 0.00 O ATOM 1036 CB GLU A 69 22.206 4.383 -3.768 1.00 0.00 C ATOM 1037 CG GLU A 69 22.383 3.029 -3.078 1.00 0.00 C ATOM 1038 CD GLU A 69 23.380 3.129 -1.922 1.00 0.00 C ATOM 1039 OE1 GLU A 69 24.576 3.335 -2.221 1.00 0.00 O ATOM 1040 OE2 GLU A 69 22.924 2.997 -0.765 1.00 0.00 O ATOM 0 H GLU A 69 22.581 4.669 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 69 20.537 3.396 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.139 4.674 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.979 5.147 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.421 2.679 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.732 2.291 -3.801 1.00 0.00 H new ATOM 1047 N LEU A 70 20.617 6.689 -4.892 1.00 0.00 N ATOM 1048 CA LEU A 70 19.806 7.888 -4.764 1.00 0.00 C ATOM 1049 C LEU A 70 18.522 7.720 -5.578 1.00 0.00 C ATOM 1050 O LEU A 70 17.424 7.747 -5.025 1.00 0.00 O ATOM 1051 CB LEU A 70 20.619 9.127 -5.147 1.00 0.00 C ATOM 1052 CG LEU A 70 21.349 9.830 -4.000 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.711 8.840 -2.892 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.575 10.589 -4.515 1.00 0.00 C ATOM 0 H LEU A 70 21.577 6.854 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 70 19.508 8.038 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.355 8.837 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.949 9.845 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 70 20.673 10.566 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.229 9.365 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.802 8.384 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.361 8.064 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.076 11.080 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.263 9.890 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.260 11.339 -5.241 1.00 0.00 H new ATOM 1066 N SER A 71 18.702 7.550 -6.879 1.00 0.00 N ATOM 1067 CA SER A 71 17.572 7.377 -7.776 1.00 0.00 C ATOM 1068 C SER A 71 16.519 6.480 -7.123 1.00 0.00 C ATOM 1069 O SER A 71 15.368 6.883 -6.960 1.00 0.00 O ATOM 1070 CB SER A 71 18.016 6.787 -9.116 1.00 0.00 C ATOM 1071 OG SER A 71 18.917 5.696 -8.946 1.00 0.00 O ATOM 0 H SER A 71 19.615 7.528 -7.334 1.00 0.00 H new ATOM 0 HA SER A 71 17.136 8.357 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.141 6.451 -9.672 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.495 7.563 -9.713 1.00 0.00 H new ATOM 0 HG SER A 71 19.706 5.998 -8.449 1.00 0.00 H new ATOM 1077 N LYS A 72 16.950 5.278 -6.765 1.00 0.00 N ATOM 1078 CA LYS A 72 16.060 4.320 -6.134 1.00 0.00 C ATOM 1079 C LYS A 72 15.500 4.924 -4.844 1.00 0.00 C ATOM 1080 O LYS A 72 14.393 4.588 -4.427 1.00 0.00 O ATOM 1081 CB LYS A 72 16.771 2.982 -5.928 1.00 0.00 C ATOM 1082 CG LYS A 72 15.940 1.826 -6.489 1.00 0.00 C ATOM 1083 CD LYS A 72 16.622 0.482 -6.227 1.00 0.00 C ATOM 1084 CE LYS A 72 16.138 -0.581 -7.216 1.00 0.00 C ATOM 1085 NZ LYS A 72 14.756 -0.998 -6.893 1.00 0.00 N ATOM 0 H LYS A 72 17.905 4.947 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 72 15.210 4.106 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.745 3.005 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.952 2.822 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.950 1.830 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.798 1.963 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.703 0.596 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.414 0.157 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.177 -0.186 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.802 -1.445 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.443 -1.719 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.729 -1.394 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.123 -0.174 -6.946 1.00 0.00 H new ATOM 1099 N THR A 73 16.290 5.806 -4.249 1.00 0.00 N ATOM 1100 CA THR A 73 15.887 6.459 -3.016 1.00 0.00 C ATOM 1101 C THR A 73 14.927 7.612 -3.312 1.00 0.00 C ATOM 1102 O THR A 73 14.066 7.935 -2.495 1.00 0.00 O ATOM 1103 CB THR A 73 17.154 6.897 -2.277 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.322 5.912 -1.262 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.958 8.202 -1.504 1.00 0.00 C ATOM 0 H THR A 73 17.207 6.083 -4.598 1.00 0.00 H new ATOM 0 HA THR A 73 15.335 5.777 -2.369 1.00 0.00 H new ATOM 0 HB THR A 73 17.968 7.018 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.123 6.118 -0.736 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.886 8.468 -0.998 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.681 8.997 -2.196 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.167 8.072 -0.766 1.00 0.00 H new ATOM 1113 N TYR A 74 15.107 8.203 -4.485 1.00 0.00 N ATOM 1114 CA TYR A 74 14.267 9.314 -4.900 1.00 0.00 C ATOM 1115 C TYR A 74 13.177 8.846 -5.867 1.00 0.00 C ATOM 1116 O TYR A 74 12.830 9.557 -6.808 1.00 0.00 O ATOM 1117 CB TYR A 74 15.191 10.292 -5.628 1.00 0.00 C ATOM 1118 CG TYR A 74 15.979 11.214 -4.696 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.147 10.769 -4.110 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.522 12.491 -4.439 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.889 11.637 -3.233 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.263 13.359 -3.562 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.411 12.889 -3.002 1.00 0.00 C ATOM 1124 OH TYR A 74 18.112 13.708 -2.174 1.00 0.00 O ATOM 0 H TYR A 74 15.822 7.933 -5.161 1.00 0.00 H new ATOM 0 HA TYR A 74 13.775 9.766 -4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.893 9.726 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.595 10.902 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.504 9.770 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.608 12.839 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.805 11.301 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.916 14.360 -3.353 1.00 0.00 H new ATOM 0 HH TYR A 74 17.653 14.571 -2.102 1.00 0.00 H new ATOM 1134 N ILE A 75 12.667 7.652 -5.599 1.00 0.00 N ATOM 1135 CA ILE A 75 11.623 7.081 -6.433 1.00 0.00 C ATOM 1136 C ILE A 75 10.294 7.117 -5.676 1.00 0.00 C ATOM 1137 O ILE A 75 10.252 6.856 -4.475 1.00 0.00 O ATOM 1138 CB ILE A 75 12.022 5.683 -6.909 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.087 5.192 -8.016 1.00 0.00 C ATOM 1140 CG2 ILE A 75 12.086 4.702 -5.736 1.00 0.00 C ATOM 1141 CD1 ILE A 75 11.093 6.155 -9.206 1.00 0.00 C ATOM 0 H ILE A 75 12.957 7.065 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 75 11.491 7.675 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 75 13.023 5.741 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.396 4.200 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.074 5.097 -7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.372 3.716 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.824 5.048 -5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.108 4.642 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.420 5.783 -9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.760 7.140 -8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.103 6.229 -9.609 1.00 0.00 H new ATOM 1153 N ILE A 76 9.240 7.442 -6.409 1.00 0.00 N ATOM 1154 CA ILE A 76 7.913 7.516 -5.822 1.00 0.00 C ATOM 1155 C ILE A 76 6.969 6.585 -6.587 1.00 0.00 C ATOM 1156 O ILE A 76 6.058 6.001 -6.002 1.00 0.00 O ATOM 1157 CB ILE A 76 7.432 8.967 -5.763 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.826 9.398 -7.100 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.560 9.900 -5.318 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.918 9.766 -8.106 1.00 0.00 C ATOM 0 H ILE A 76 9.278 7.657 -7.405 1.00 0.00 H new ATOM 0 HA ILE A 76 7.934 7.170 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 76 6.643 9.036 -5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.214 8.591 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.167 10.252 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.192 10.925 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.906 9.606 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.387 9.834 -6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.459 10.068 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.513 10.589 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.561 8.903 -8.277 1.00 0.00 H new ATOM 1172 N GLY A 77 7.219 6.477 -7.884 1.00 0.00 N ATOM 1173 CA GLY A 77 6.403 5.628 -8.735 1.00 0.00 C ATOM 1174 C GLY A 77 6.784 5.799 -10.206 1.00 0.00 C ATOM 1175 O GLY A 77 7.851 6.326 -10.518 1.00 0.00 O ATOM 0 H GLY A 77 7.975 6.963 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.528 4.586 -8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.350 5.874 -8.597 1.00 0.00 H new ATOM 1179 N GLU A 78 5.894 5.339 -11.073 1.00 0.00 N ATOM 1180 CA GLU A 78 6.124 5.434 -12.505 1.00 0.00 C ATOM 1181 C GLU A 78 4.962 6.163 -13.182 1.00 0.00 C ATOM 1182 O GLU A 78 3.897 6.328 -12.588 1.00 0.00 O ATOM 1183 CB GLU A 78 6.335 4.048 -13.118 1.00 0.00 C ATOM 1184 CG GLU A 78 5.029 3.250 -13.132 1.00 0.00 C ATOM 1185 CD GLU A 78 5.291 1.779 -13.462 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.741 1.062 -12.542 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.033 1.404 -14.626 1.00 0.00 O ATOM 0 H GLU A 78 5.012 4.899 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 78 7.034 6.011 -12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.714 4.150 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.090 3.506 -12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.540 3.327 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.346 3.676 -13.867 1.00 0.00 H new ATOM 1194 N LEU A 79 5.206 6.579 -14.417 1.00 0.00 N ATOM 1195 CA LEU A 79 4.193 7.286 -15.181 1.00 0.00 C ATOM 1196 C LEU A 79 3.492 6.304 -16.122 1.00 0.00 C ATOM 1197 O LEU A 79 4.108 5.355 -16.605 1.00 0.00 O ATOM 1198 CB LEU A 79 4.806 8.492 -15.897 1.00 0.00 C ATOM 1199 CG LEU A 79 5.518 8.196 -17.217 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.610 7.142 -17.027 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.518 7.796 -18.303 1.00 0.00 C ATOM 0 H LEU A 79 6.090 6.440 -14.906 1.00 0.00 H new ATOM 0 HA LEU A 79 3.430 7.692 -14.517 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.015 9.217 -16.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.517 8.967 -15.222 1.00 0.00 H new ATOM 0 HG LEU A 79 6.008 9.110 -17.552 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.101 6.950 -17.981 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.344 7.505 -16.308 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.164 6.219 -16.656 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.051 7.591 -19.231 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.979 6.902 -17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.810 8.609 -18.463 1.00 0.00 H new ATOM 1213 N HIS A 80 2.214 6.566 -16.355 1.00 0.00 N ATOM 1214 CA HIS A 80 1.423 5.716 -17.230 1.00 0.00 C ATOM 1215 C HIS A 80 2.233 5.372 -18.480 1.00 0.00 C ATOM 1216 O HIS A 80 2.550 6.251 -19.282 1.00 0.00 O ATOM 1217 CB HIS A 80 0.080 6.374 -17.556 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.101 5.437 -17.457 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.291 5.660 -18.128 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.262 4.275 -16.763 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.124 4.670 -17.842 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.484 3.813 -16.995 1.00 0.00 N ATOM 0 H HIS A 80 1.707 7.354 -15.953 1.00 0.00 H new ATOM 0 HA HIS A 80 1.190 4.780 -16.722 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.076 7.213 -16.878 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.123 6.784 -18.565 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.520 3.809 -16.131 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.132 4.561 -18.214 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.880 2.958 -16.604 1.00 0.00 H new ATOM 1230 N PRO A 81 2.555 4.058 -18.613 1.00 0.00 N ATOM 1231 CA PRO A 81 3.324 3.586 -19.753 1.00 0.00 C ATOM 1232 C PRO A 81 2.459 3.537 -21.014 1.00 0.00 C ATOM 1233 O PRO A 81 2.956 3.251 -22.102 1.00 0.00 O ATOM 1234 CB PRO A 81 3.846 2.221 -19.337 1.00 0.00 C ATOM 1235 CG PRO A 81 2.975 1.778 -18.173 1.00 0.00 C ATOM 1236 CD PRO A 81 2.199 2.989 -17.685 1.00 0.00 C ATOM 0 HA PRO A 81 4.148 4.251 -20.010 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.785 1.512 -20.162 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.894 2.277 -19.041 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.292 0.988 -18.486 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.589 1.369 -17.371 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.126 2.800 -17.692 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.471 3.247 -16.661 1.00 0.00 H new ATOM 1244 N ASP A 82 1.177 3.820 -20.826 1.00 0.00 N ATOM 1245 CA ASP A 82 0.238 3.813 -21.934 1.00 0.00 C ATOM 1246 C ASP A 82 0.366 5.122 -22.715 1.00 0.00 C ATOM 1247 O ASP A 82 0.186 5.143 -23.931 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.203 3.697 -21.435 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.232 3.334 -22.507 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.922 2.424 -23.305 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.306 3.975 -22.503 1.00 0.00 O ATOM 0 H ASP A 82 0.768 4.056 -19.922 1.00 0.00 H new ATOM 0 HA ASP A 82 0.470 2.956 -22.566 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.239 2.944 -20.648 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.492 4.645 -20.982 1.00 0.00 H new ATOM 1256 N ASP A 83 0.676 6.181 -21.984 1.00 0.00 N ATOM 1257 CA ASP A 83 0.830 7.491 -22.592 1.00 0.00 C ATOM 1258 C ASP A 83 2.318 7.785 -22.793 1.00 0.00 C ATOM 1259 O ASP A 83 2.681 8.675 -23.560 1.00 0.00 O ATOM 1260 CB ASP A 83 0.250 8.587 -21.695 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.278 8.667 -21.677 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -1.892 7.684 -21.210 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -1.797 9.709 -22.132 1.00 0.00 O ATOM 0 H ASP A 83 0.825 6.159 -20.975 1.00 0.00 H new ATOM 0 HA ASP A 83 0.299 7.484 -23.544 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.602 8.426 -20.676 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.645 9.549 -22.021 1.00 0.00 H new ATOM 1268 N ARG A 84 3.140 7.019 -22.090 1.00 0.00 N ATOM 1269 CA ARG A 84 4.580 7.185 -22.182 1.00 0.00 C ATOM 1270 C ARG A 84 5.050 6.957 -23.620 1.00 0.00 C ATOM 1271 O ARG A 84 6.155 7.355 -23.986 1.00 0.00 O ATOM 1272 CB ARG A 84 5.308 6.209 -21.255 1.00 0.00 C ATOM 1273 CG ARG A 84 6.690 6.742 -20.873 1.00 0.00 C ATOM 1274 CD ARG A 84 7.776 6.136 -21.764 1.00 0.00 C ATOM 1275 NE ARG A 84 8.849 7.128 -21.999 1.00 0.00 N ATOM 1276 CZ ARG A 84 10.106 6.809 -22.337 1.00 0.00 C ATOM 1277 NH1 ARG A 84 10.456 5.523 -22.481 1.00 0.00 N ATOM 1278 NH2 ARG A 84 11.014 7.775 -22.531 1.00 0.00 N ATOM 0 H ARG A 84 2.835 6.282 -21.454 1.00 0.00 H new ATOM 0 HA ARG A 84 4.816 8.204 -21.876 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.715 6.047 -20.355 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.411 5.242 -21.748 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.703 7.828 -20.965 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.898 6.508 -19.829 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.190 5.245 -21.292 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.345 5.822 -22.715 1.00 0.00 H new ATOM 0 HE ARG A 84 8.617 8.116 -21.897 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.766 4.787 -22.333 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.413 5.281 -22.738 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.749 8.754 -22.421 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.971 7.532 -22.788 1.00 0.00 H new ATOM 1292 N SER A 85 4.188 6.319 -24.396 1.00 0.00 N ATOM 1293 CA SER A 85 4.501 6.033 -25.786 1.00 0.00 C ATOM 1294 C SER A 85 3.675 6.936 -26.705 1.00 0.00 C ATOM 1295 O SER A 85 2.985 6.452 -27.600 1.00 0.00 O ATOM 1296 CB SER A 85 4.244 4.562 -26.118 1.00 0.00 C ATOM 1297 OG SER A 85 5.026 3.688 -25.309 1.00 0.00 O ATOM 0 H SER A 85 3.272 5.991 -24.089 1.00 0.00 H new ATOM 0 HA SER A 85 5.560 6.234 -25.946 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.187 4.338 -25.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.470 4.383 -27.169 1.00 0.00 H new ATOM 0 HG SER A 85 4.832 2.758 -25.550 1.00 0.00 H new ATOM 1303 N LYS A 86 3.773 8.233 -26.450 1.00 0.00 N ATOM 1304 CA LYS A 86 3.043 9.208 -27.242 1.00 0.00 C ATOM 1305 C LYS A 86 3.927 9.685 -28.396 1.00 0.00 C ATOM 1306 O LYS A 86 3.700 10.758 -28.953 1.00 0.00 O ATOM 1307 CB LYS A 86 2.525 10.341 -26.354 1.00 0.00 C ATOM 1308 CG LYS A 86 1.224 10.924 -26.910 1.00 0.00 C ATOM 1309 CD LYS A 86 1.459 12.306 -27.522 1.00 0.00 C ATOM 1310 CE LYS A 86 0.132 12.994 -27.847 1.00 0.00 C ATOM 1311 NZ LYS A 86 -0.075 14.165 -26.966 1.00 0.00 N ATOM 0 H LYS A 86 4.347 8.631 -25.706 1.00 0.00 H new ATOM 0 HA LYS A 86 2.157 8.753 -27.685 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.358 9.968 -25.344 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.278 11.126 -26.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.814 10.253 -27.665 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.484 10.997 -26.113 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.032 12.922 -26.829 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.055 12.209 -28.430 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.126 13.311 -28.890 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.690 12.289 -27.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.980 14.620 -27.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.090 13.854 -25.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.700 14.845 -27.104 1.00 0.00 H new ATOM 1325 N ILE A 87 4.916 8.866 -28.720 1.00 0.00 N ATOM 1326 CA ILE A 87 5.835 9.191 -29.797 1.00 0.00 C ATOM 1327 C ILE A 87 5.109 9.067 -31.137 1.00 0.00 C ATOM 1328 O ILE A 87 5.418 9.788 -32.085 1.00 0.00 O ATOM 1329 CB ILE A 87 7.098 8.332 -29.701 1.00 0.00 C ATOM 1330 CG1 ILE A 87 8.335 9.128 -30.125 1.00 0.00 C ATOM 1331 CG2 ILE A 87 6.946 7.039 -30.504 1.00 0.00 C ATOM 1332 CD1 ILE A 87 8.677 10.203 -29.092 1.00 0.00 C ATOM 0 H ILE A 87 5.101 7.977 -28.255 1.00 0.00 H new ATOM 0 HA ILE A 87 6.172 10.224 -29.711 1.00 0.00 H new ATOM 0 HB ILE A 87 7.239 8.047 -28.658 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.182 8.453 -30.246 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.157 9.594 -31.094 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.858 6.448 -30.418 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.104 6.466 -30.115 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.767 7.280 -31.552 1.00 0.00 H new ATOM 0 HD11 ILE A 87 9.560 10.753 -29.418 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.837 10.891 -28.991 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.878 9.732 -28.130 1.00 0.00 H new ATOM 1344 N ALA A 88 4.156 8.146 -31.175 1.00 0.00 N ATOM 1345 CA ALA A 88 3.382 7.918 -32.383 1.00 0.00 C ATOM 1346 C ALA A 88 2.980 9.266 -32.989 1.00 0.00 C ATOM 1347 O ALA A 88 3.305 9.555 -34.139 1.00 0.00 O ATOM 1348 CB ALA A 88 2.171 7.042 -32.057 1.00 0.00 C ATOM 0 H ALA A 88 3.903 7.549 -30.388 1.00 0.00 H new ATOM 0 HA ALA A 88 3.978 7.387 -33.125 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.591 6.871 -32.964 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.510 6.086 -31.658 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.548 7.544 -31.317 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.579 12.744 -12.659 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.932 12.856 -12.864 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.812 11.315 -9.586 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.208 12.660 -12.460 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.327 14.199 -15.735 1.00 0.00 C HETATM 1360 NA HEM A 95 24.096 12.192 -11.481 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.426 12.339 -11.752 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.191 11.810 -10.626 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.308 11.385 -9.707 1.00 0.00 C HETATM 1364 C4A HEM A 95 23.998 11.634 -10.238 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.665 10.723 -8.385 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.621 11.162 -10.665 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.902 11.989 -10.922 1.00 0.00 C HETATM 1368 CGA HEM A 95 30.176 11.255 -10.525 1.00 0.00 C HETATM 1369 O1A HEM A 95 30.127 10.014 -10.338 1.00 0.00 O HETATM 1370 O2A HEM A 95 31.246 11.906 -10.408 1.00 0.00 O HETATM 1371 NB HEM A 95 21.263 12.107 -11.306 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.554 11.543 -10.102 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.331 11.217 -9.388 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.319 11.590 -10.186 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.897 12.173 -11.397 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.183 10.561 -8.026 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.849 11.440 -9.880 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.158 10.458 -9.655 1.00 0.00 C HETATM 1379 NC HEM A 95 21.060 13.329 -13.853 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.726 13.196 -13.589 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.948 13.702 -14.696 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.856 14.168 -15.633 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.159 13.904 -15.105 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.464 13.780 -14.846 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.476 14.792 -16.936 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.565 15.345 -17.209 1.00 0.00 C HETATM 1387 ND HEM A 95 23.894 13.404 -14.024 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.594 13.976 -15.245 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.850 14.308 -15.946 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.821 13.924 -15.133 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.239 13.366 -13.935 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.956 14.954 -17.295 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.409 14.209 -15.144 1.00 0.00 C HETATM 1394 CBD HEM A 95 28.136 13.135 -15.989 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.621 13.053 -15.637 1.00 0.00 C HETATM 1396 O1D HEM A 95 30.190 13.740 -14.790 1.00 0.00 O HETATM 1397 O2D HEM A 95 30.239 12.358 -16.581 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.879 10.919 -7.656 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.609 11.127 -8.019 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.764 9.647 -8.532 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.269 10.915 -7.549 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.040 10.817 -7.404 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.133 9.479 -8.147 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 16.999 12.967 -14.288 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.200 13.695 -15.900 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.109 14.735 -14.459 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.093 14.677 -17.900 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.868 14.618 -17.789 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.985 16.037 -17.178 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.093 10.575 -9.453 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.606 9.464 -9.656 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.448 15.738 -18.219 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.779 15.500 -16.470 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 28.841 12.925 -10.367 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 28.954 12.249 -11.979 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.591 10.387 -11.431 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.761 10.659 -9.708 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 28.025 13.368 -17.048 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.668 12.164 -15.825 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.795 14.203 -14.124 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.606 15.200 -15.554 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.009 12.878 -12.935 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.881 10.858 -8.610 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.131 12.615 -12.398 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.254 14.651 -16.713 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.302 12.383 -9.855 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.210 14.683 -17.734 1.00 0.00 H new