USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 557 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 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= -0.24 USER MOD Set 1.2: A 201 HEM CMB :methyl 150:sc= -2.93! (180deg=-2.93!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.0179 K(o=-1.8,f=-3.6!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.26) USER MOD Set 3.1: A 45 HIS : no HE2:sc= 1.2 K(o=-2.9,f=-8.9!) USER MOD Set 3.2: A 201 HEM CMD :methyl -30:sc= -4.11! (180deg=-4.49!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= -1.73 K(o=-1.1,f=-7.5!) USER MOD Set 4.2: A 20 SER OG : rot 149:sc= 0.588 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0056 X(o=0.0056,f=-0.25) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 2.42 (180deg=2.17) USER MOD Single : A 16 ASN : amide:sc= -0.016 K(o=-0.016,f=-2.1) USER MOD Single : A 17 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.42) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -140:sc= -0.143 USER MOD Single : A 26 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-7.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 0.69 (180deg=-2.35!) USER MOD Single : A 30 TYR OH : rot -165:sc= 0.577 USER MOD Single : A 33 THR OG1 : rot 104:sc= 1.57 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 1.2 (180deg=0.352) USER MOD Single : A 55 THR OG1 : rot 35:sc= 1.24 USER MOD Single : A 64 SER OG : rot 68:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot 70:sc= 0.852 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 0.942 (180deg=-3.52!) USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.218 USER MOD Single : A 80 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.321 (180deg=-0.558) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.113 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 0.394 0.847 -19.297 1.00 0.00 N ATOM 2 CA ALA A 3 0.549 -0.462 -18.622 1.00 0.00 C ATOM 3 C ALA A 3 1.174 -0.278 -17.233 1.00 0.00 C ATOM 4 O ALA A 3 1.375 0.862 -16.825 1.00 0.00 O ATOM 5 CB ALA A 3 -0.800 -1.185 -18.538 1.00 0.00 C ATOM 0 HA ALA A 3 1.223 -1.084 -19.211 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.668 -2.145 -18.039 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.505 -0.576 -17.972 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.188 -1.349 -19.543 1.00 0.00 H new ATOM 13 N VAL A 4 1.479 -1.371 -16.531 1.00 0.00 N ATOM 14 CA VAL A 4 2.060 -1.372 -15.188 1.00 0.00 C ATOM 15 C VAL A 4 2.675 -2.753 -14.928 1.00 0.00 C ATOM 16 O VAL A 4 2.302 -3.714 -15.599 1.00 0.00 O ATOM 17 CB VAL A 4 0.972 -1.019 -14.154 1.00 0.00 C ATOM 18 CG1 VAL A 4 -0.122 -2.087 -14.066 1.00 0.00 C ATOM 19 CG2 VAL A 4 1.536 -0.744 -12.760 1.00 0.00 C ATOM 0 H VAL A 4 1.323 -2.311 -16.894 1.00 0.00 H new ATOM 0 HA VAL A 4 2.845 -0.621 -15.101 1.00 0.00 H new ATOM 0 HB VAL A 4 0.526 -0.095 -14.524 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.862 -1.789 -13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.605 -2.194 -15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.322 -3.039 -13.774 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.720 -0.502 -12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.060 -1.629 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.230 0.095 -12.807 1.00 0.00 H new ATOM 29 N LYS A 5 3.599 -2.868 -13.969 1.00 0.00 N ATOM 30 CA LYS A 5 4.168 -4.164 -13.602 1.00 0.00 C ATOM 31 C LYS A 5 3.152 -5.102 -12.957 1.00 0.00 C ATOM 32 O LYS A 5 3.221 -6.299 -13.218 1.00 0.00 O ATOM 33 CB LYS A 5 5.440 -3.980 -12.748 1.00 0.00 C ATOM 34 CG LYS A 5 5.841 -5.315 -12.102 1.00 0.00 C ATOM 35 CD LYS A 5 7.270 -5.389 -11.555 1.00 0.00 C ATOM 36 CE LYS A 5 7.419 -6.760 -10.872 1.00 0.00 C ATOM 37 NZ LYS A 5 8.735 -6.938 -10.223 1.00 0.00 N ATOM 0 H LYS A 5 3.967 -2.080 -13.435 1.00 0.00 H new ATOM 0 HA LYS A 5 4.462 -4.662 -14.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.255 -3.609 -13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.263 -3.232 -11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.149 -5.525 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.713 -6.107 -12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.997 -5.278 -12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.454 -4.582 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.633 -6.876 -10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.275 -7.547 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.779 -7.878 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.488 -6.856 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.865 -6.206 -9.496 1.00 0.00 H new ATOM 47 N TYR A 6 2.258 -4.561 -12.122 1.00 0.00 N ATOM 48 CA TYR A 6 1.366 -5.327 -11.248 1.00 0.00 C ATOM 49 C TYR A 6 2.142 -6.104 -10.181 1.00 0.00 C ATOM 50 O TYR A 6 3.258 -6.567 -10.405 1.00 0.00 O ATOM 51 CB TYR A 6 0.510 -6.320 -12.034 1.00 0.00 C ATOM 52 CG TYR A 6 -0.282 -5.768 -13.210 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.487 -5.075 -13.002 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.148 -6.024 -14.527 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.260 -4.648 -14.095 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.621 -5.593 -15.621 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.825 -4.907 -15.403 1.00 0.00 C ATOM 58 OH TYR A 6 -2.572 -4.495 -16.461 1.00 0.00 O ATOM 0 H TYR A 6 2.133 -3.553 -12.034 1.00 0.00 H new ATOM 0 HA TYR A 6 0.721 -4.591 -10.768 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.163 -7.110 -12.406 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.191 -6.785 -11.341 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.821 -4.869 -11.996 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.073 -6.554 -14.696 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.188 -4.121 -13.928 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.286 -5.790 -16.629 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.128 -4.753 -17.295 1.00 0.00 H new ATOM 67 N TYR A 7 1.534 -6.279 -9.013 1.00 0.00 N ATOM 68 CA TYR A 7 2.099 -7.130 -7.986 1.00 0.00 C ATOM 69 C TYR A 7 0.999 -8.011 -7.410 1.00 0.00 C ATOM 70 O TYR A 7 0.063 -7.519 -6.794 1.00 0.00 O ATOM 71 CB TYR A 7 2.798 -6.280 -6.932 1.00 0.00 C ATOM 72 CG TYR A 7 3.845 -5.343 -7.495 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.170 -5.786 -7.631 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.478 -4.079 -7.994 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.164 -4.893 -8.056 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.447 -3.266 -8.606 1.00 0.00 C ATOM 77 CZ TYR A 7 5.798 -3.629 -8.544 1.00 0.00 C ATOM 78 OH TYR A 7 6.755 -2.771 -8.990 1.00 0.00 O ATOM 0 H TYR A 7 0.649 -5.840 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 7 2.859 -7.789 -8.406 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.050 -5.694 -6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.269 -6.939 -6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.423 -6.812 -7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.458 -3.736 -7.907 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.205 -5.176 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.151 -2.365 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 7 6.333 -1.940 -9.295 1.00 0.00 H new ATOM 87 N THR A 8 1.114 -9.314 -7.644 1.00 0.00 N ATOM 88 CA THR A 8 0.195 -10.307 -7.106 1.00 0.00 C ATOM 89 C THR A 8 0.206 -10.225 -5.594 1.00 0.00 C ATOM 90 O THR A 8 1.250 -10.017 -4.977 1.00 0.00 O ATOM 91 CB THR A 8 0.592 -11.711 -7.574 1.00 0.00 C ATOM 92 OG1 THR A 8 1.938 -11.970 -7.229 1.00 0.00 O ATOM 93 CG2 THR A 8 0.446 -11.822 -9.090 1.00 0.00 C ATOM 0 H THR A 8 1.856 -9.713 -8.219 1.00 0.00 H new ATOM 0 HA THR A 8 -0.813 -10.105 -7.469 1.00 0.00 H new ATOM 0 HB THR A 8 -0.063 -12.435 -7.088 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.185 -12.869 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.731 -12.824 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.590 -11.632 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.093 -11.089 -9.572 1.00 0.00 H new ATOM 101 N LEU A 9 -0.966 -10.388 -4.993 1.00 0.00 N ATOM 102 CA LEU A 9 -1.167 -10.437 -3.556 1.00 0.00 C ATOM 103 C LEU A 9 -0.098 -11.288 -2.859 1.00 0.00 C ATOM 104 O LEU A 9 0.370 -10.925 -1.793 1.00 0.00 O ATOM 105 CB LEU A 9 -2.521 -11.074 -3.338 1.00 0.00 C ATOM 106 CG LEU A 9 -3.309 -10.580 -2.121 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.653 -11.316 -2.061 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.576 -10.748 -0.793 1.00 0.00 C ATOM 0 H LEU A 9 -1.835 -10.494 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.103 -9.432 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.126 -10.908 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.382 -12.151 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.448 -9.507 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.219 -10.969 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.219 -11.115 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.477 -12.388 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.201 -10.374 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.360 -11.804 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.642 -10.186 -0.819 1.00 0.00 H new ATOM 119 N GLU A 10 0.284 -12.422 -3.456 1.00 0.00 N ATOM 120 CA GLU A 10 1.437 -13.218 -3.033 1.00 0.00 C ATOM 121 C GLU A 10 2.636 -12.311 -2.725 1.00 0.00 C ATOM 122 O GLU A 10 3.192 -12.334 -1.628 1.00 0.00 O ATOM 123 CB GLU A 10 1.791 -14.244 -4.135 1.00 0.00 C ATOM 124 CG GLU A 10 3.293 -14.581 -4.052 1.00 0.00 C ATOM 125 CD GLU A 10 3.813 -15.753 -4.860 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.998 -16.507 -5.425 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.065 -15.835 -4.876 1.00 0.00 O ATOM 0 H GLU A 10 -0.207 -12.817 -4.258 1.00 0.00 H new ATOM 0 HA GLU A 10 1.183 -13.756 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.196 -15.149 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.551 -13.837 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.850 -13.695 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.535 -14.766 -3.005 1.00 0.00 H new ATOM 132 N GLU A 11 3.036 -11.510 -3.711 1.00 0.00 N ATOM 133 CA GLU A 11 4.104 -10.544 -3.570 1.00 0.00 C ATOM 134 C GLU A 11 3.727 -9.561 -2.481 1.00 0.00 C ATOM 135 O GLU A 11 4.435 -9.444 -1.493 1.00 0.00 O ATOM 136 CB GLU A 11 4.404 -9.850 -4.913 1.00 0.00 C ATOM 137 CG GLU A 11 5.868 -9.380 -5.004 1.00 0.00 C ATOM 138 CD GLU A 11 6.857 -10.471 -5.410 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.801 -11.569 -4.808 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.668 -10.184 -6.316 1.00 0.00 O ATOM 0 H GLU A 11 2.616 -11.520 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 11 5.026 -11.047 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.192 -10.538 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.740 -8.994 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.931 -8.564 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.168 -8.976 -4.037 1.00 0.00 H new ATOM 145 N ILE A 12 2.567 -8.921 -2.597 1.00 0.00 N ATOM 146 CA ILE A 12 2.124 -7.963 -1.589 1.00 0.00 C ATOM 147 C ILE A 12 2.240 -8.498 -0.156 1.00 0.00 C ATOM 148 O ILE A 12 2.720 -7.792 0.733 1.00 0.00 O ATOM 149 CB ILE A 12 0.722 -7.409 -1.902 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.457 -7.126 -3.389 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.520 -6.085 -1.172 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.985 -6.682 -3.627 1.00 0.00 C ATOM 0 H ILE A 12 1.920 -9.047 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 12 2.816 -7.123 -1.641 1.00 0.00 H new ATOM 0 HB ILE A 12 0.037 -8.192 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.140 -6.352 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.664 -8.023 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.473 -5.694 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.615 -6.244 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.274 -5.369 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.136 -6.491 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.666 -7.467 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.183 -5.771 -3.062 1.00 0.00 H new ATOM 163 N GLN A 13 1.913 -9.772 0.061 1.00 0.00 N ATOM 164 CA GLN A 13 2.040 -10.380 1.381 1.00 0.00 C ATOM 165 C GLN A 13 3.469 -10.387 1.918 1.00 0.00 C ATOM 166 O GLN A 13 3.681 -10.324 3.127 1.00 0.00 O ATOM 167 CB GLN A 13 1.499 -11.809 1.341 1.00 0.00 C ATOM 168 CG GLN A 13 -0.025 -11.830 1.525 1.00 0.00 C ATOM 169 CD GLN A 13 -0.513 -11.286 2.866 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.593 -12.017 3.844 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.876 -10.010 2.944 1.00 0.00 N ATOM 0 H GLN A 13 1.559 -10.400 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 13 1.456 -9.763 2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.760 -12.273 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.971 -12.402 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.482 -11.249 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.377 -12.856 1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.806 -9.409 2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.225 -9.632 3.825 1.00 0.00 H new ATOM 178 N LYS A 14 4.455 -10.481 1.030 1.00 0.00 N ATOM 179 CA LYS A 14 5.850 -10.550 1.416 1.00 0.00 C ATOM 180 C LYS A 14 6.348 -9.187 1.946 1.00 0.00 C ATOM 181 O LYS A 14 7.307 -9.130 2.714 1.00 0.00 O ATOM 182 CB LYS A 14 6.663 -10.988 0.189 1.00 0.00 C ATOM 183 CG LYS A 14 6.365 -12.423 -0.268 1.00 0.00 C ATOM 184 CD LYS A 14 7.005 -12.692 -1.645 1.00 0.00 C ATOM 185 CE LYS A 14 6.323 -13.885 -2.331 1.00 0.00 C ATOM 186 NZ LYS A 14 6.618 -13.959 -3.781 1.00 0.00 N ATOM 0 H LYS A 14 4.303 -10.511 0.022 1.00 0.00 H new ATOM 0 HA LYS A 14 5.974 -11.271 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.458 -10.304 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.725 -10.902 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.751 -13.132 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.287 -12.577 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.918 -11.805 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.069 -12.894 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.648 -14.808 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.245 -13.813 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.017 -14.685 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.426 -13.037 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.618 -14.208 -3.920 1.00 0.00 H new ATOM 196 N HIS A 15 5.726 -8.082 1.514 1.00 0.00 N ATOM 197 CA HIS A 15 6.156 -6.718 1.818 1.00 0.00 C ATOM 198 C HIS A 15 5.332 -6.083 2.946 1.00 0.00 C ATOM 199 O HIS A 15 4.476 -5.232 2.710 1.00 0.00 O ATOM 200 CB HIS A 15 6.093 -5.873 0.546 1.00 0.00 C ATOM 201 CG HIS A 15 7.025 -6.306 -0.568 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.254 -5.778 -0.922 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.686 -7.196 -1.545 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.664 -6.403 -2.036 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.748 -7.288 -2.449 1.00 0.00 N ATOM 0 H HIS A 15 4.891 -8.117 0.930 1.00 0.00 H new ATOM 0 HA HIS A 15 7.184 -6.758 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.071 -5.890 0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.320 -4.839 0.805 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.754 -7.738 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.605 -6.218 -2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.812 -7.904 -3.259 1.00 0.00 H new ATOM 212 N ASN A 16 5.652 -6.446 4.188 1.00 0.00 N ATOM 213 CA ASN A 16 5.134 -5.774 5.383 1.00 0.00 C ATOM 214 C ASN A 16 6.044 -5.917 6.616 1.00 0.00 C ATOM 215 O ASN A 16 5.574 -6.159 7.731 1.00 0.00 O ATOM 216 CB ASN A 16 3.655 -6.107 5.617 1.00 0.00 C ATOM 217 CG ASN A 16 3.363 -7.568 5.921 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.255 -8.394 6.051 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.093 -7.889 6.123 1.00 0.00 N ATOM 0 H ASN A 16 6.283 -7.220 4.396 1.00 0.00 H new ATOM 0 HA ASN A 16 5.161 -4.702 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.288 -5.500 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.089 -5.816 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.844 -8.841 6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.364 -7.184 6.009 1.00 0.00 H new ATOM 225 N ASN A 17 7.349 -5.695 6.427 1.00 0.00 N ATOM 226 CA ASN A 17 8.359 -5.612 7.488 1.00 0.00 C ATOM 227 C ASN A 17 9.493 -4.679 7.024 1.00 0.00 C ATOM 228 O ASN A 17 9.345 -3.990 6.018 1.00 0.00 O ATOM 229 CB ASN A 17 8.882 -7.025 7.810 1.00 0.00 C ATOM 230 CG ASN A 17 7.827 -7.928 8.437 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.289 -8.817 7.792 1.00 0.00 O ATOM 232 ND2 ASN A 17 7.529 -7.737 9.715 1.00 0.00 N ATOM 0 H ASN A 17 7.746 -5.563 5.497 1.00 0.00 H new ATOM 0 HA ASN A 17 7.926 -5.201 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.248 -7.487 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.732 -6.945 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.842 -8.336 10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.986 -6.991 10.239 1.00 0.00 H new ATOM 238 N SER A 18 10.660 -4.699 7.681 1.00 0.00 N ATOM 239 CA SER A 18 11.880 -4.025 7.214 1.00 0.00 C ATOM 240 C SER A 18 12.144 -4.242 5.711 1.00 0.00 C ATOM 241 O SER A 18 12.662 -3.364 5.032 1.00 0.00 O ATOM 242 CB SER A 18 13.056 -4.523 8.059 1.00 0.00 C ATOM 243 OG SER A 18 12.670 -4.568 9.422 1.00 0.00 O ATOM 0 H SER A 18 10.786 -5.191 8.565 1.00 0.00 H new ATOM 0 HA SER A 18 11.753 -2.949 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.365 -5.513 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.914 -3.862 7.934 1.00 0.00 H new ATOM 0 HG SER A 18 13.421 -4.888 9.964 1.00 0.00 H new ATOM 248 N LYS A 19 11.759 -5.424 5.215 1.00 0.00 N ATOM 249 CA LYS A 19 11.656 -5.807 3.806 1.00 0.00 C ATOM 250 C LYS A 19 11.194 -4.660 2.901 1.00 0.00 C ATOM 251 O LYS A 19 11.825 -4.333 1.901 1.00 0.00 O ATOM 252 CB LYS A 19 10.581 -6.908 3.748 1.00 0.00 C ATOM 253 CG LYS A 19 10.322 -7.506 2.357 1.00 0.00 C ATOM 254 CD LYS A 19 11.592 -7.897 1.591 1.00 0.00 C ATOM 255 CE LYS A 19 11.191 -8.581 0.277 1.00 0.00 C ATOM 256 NZ LYS A 19 12.369 -8.861 -0.571 1.00 0.00 N ATOM 0 H LYS A 19 11.493 -6.190 5.833 1.00 0.00 H new ATOM 0 HA LYS A 19 12.639 -6.119 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.874 -7.713 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.645 -6.498 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.691 -8.388 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.761 -6.784 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.196 -7.013 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.204 -8.568 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.669 -9.513 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.493 -7.945 -0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.062 -9.323 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.852 -7.969 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.023 -9.488 -0.061 1.00 0.00 H new ATOM 266 N SER A 20 10.019 -4.160 3.275 1.00 0.00 N ATOM 267 CA SER A 20 9.150 -3.194 2.615 1.00 0.00 C ATOM 268 C SER A 20 7.844 -3.154 3.408 1.00 0.00 C ATOM 269 O SER A 20 7.471 -4.159 4.018 1.00 0.00 O ATOM 270 CB SER A 20 8.715 -3.664 1.225 1.00 0.00 C ATOM 271 OG SER A 20 9.602 -3.428 0.152 1.00 0.00 O ATOM 0 H SER A 20 9.605 -4.461 4.157 1.00 0.00 H new ATOM 0 HA SER A 20 9.692 -2.251 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.526 -4.736 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.765 -3.184 0.989 1.00 0.00 H new ATOM 0 HG SER A 20 9.507 -4.140 -0.514 1.00 0.00 H new ATOM 276 N THR A 21 7.104 -2.053 3.303 1.00 0.00 N ATOM 277 CA THR A 21 5.757 -1.923 3.845 1.00 0.00 C ATOM 278 C THR A 21 4.776 -1.520 2.745 1.00 0.00 C ATOM 279 O THR A 21 4.581 -0.331 2.490 1.00 0.00 O ATOM 280 CB THR A 21 5.779 -0.943 5.028 1.00 0.00 C ATOM 281 OG1 THR A 21 6.741 -1.389 5.960 1.00 0.00 O ATOM 282 CG2 THR A 21 4.453 -0.923 5.779 1.00 0.00 C ATOM 0 H THR A 21 7.432 -1.211 2.829 1.00 0.00 H new ATOM 0 HA THR A 21 5.407 -2.883 4.225 1.00 0.00 H new ATOM 0 HB THR A 21 5.993 0.047 4.625 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.398 -1.263 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.514 -0.217 6.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.655 -0.619 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.240 -1.919 6.167 1.00 0.00 H new ATOM 290 N TRP A 22 4.179 -2.520 2.085 1.00 0.00 N ATOM 291 CA TRP A 22 3.196 -2.328 1.024 1.00 0.00 C ATOM 292 C TRP A 22 1.790 -2.251 1.531 1.00 0.00 C ATOM 293 O TRP A 22 1.493 -2.535 2.678 1.00 0.00 O ATOM 294 CB TRP A 22 3.301 -3.400 -0.089 1.00 0.00 C ATOM 295 CG TRP A 22 4.518 -3.451 -0.954 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.652 -2.758 -0.756 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.761 -4.259 -2.145 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.565 -3.055 -1.744 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.066 -3.973 -2.640 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.013 -5.210 -2.866 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.570 -4.573 -3.806 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.573 -5.936 -3.920 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.828 -5.586 -4.425 1.00 0.00 C ATOM 0 H TRP A 22 4.373 -3.502 2.281 1.00 0.00 H new ATOM 0 HA TRP A 22 3.444 -1.360 0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.199 -4.375 0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.440 -3.274 -0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.823 -2.069 0.058 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.497 -2.645 -1.804 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.981 -5.382 -2.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.517 -4.257 -4.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.035 -6.770 -4.346 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.225 -6.096 -5.291 1.00 0.00 H new ATOM 313 N LEU A 23 0.922 -1.813 0.638 1.00 0.00 N ATOM 314 CA LEU A 23 -0.490 -1.770 0.885 1.00 0.00 C ATOM 315 C LEU A 23 -1.256 -1.717 -0.433 1.00 0.00 C ATOM 316 O LEU A 23 -0.628 -1.528 -1.473 1.00 0.00 O ATOM 317 CB LEU A 23 -0.862 -0.605 1.811 1.00 0.00 C ATOM 318 CG LEU A 23 0.046 0.490 2.381 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.687 1.833 2.179 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.186 0.369 3.905 1.00 0.00 C ATOM 0 H LEU A 23 1.190 -1.475 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.777 -2.685 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.653 -0.069 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.319 -1.073 2.683 1.00 0.00 H new ATOM 0 HG LEU A 23 1.018 0.413 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.075 2.645 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.864 1.994 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.641 1.810 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.837 1.161 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.796 0.460 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.617 -0.600 4.155 1.00 0.00 H new ATOM 331 N ILE A 24 -2.589 -1.864 -0.383 1.00 0.00 N ATOM 332 CA ILE A 24 -3.465 -1.601 -1.527 1.00 0.00 C ATOM 333 C ILE A 24 -4.474 -0.508 -1.182 1.00 0.00 C ATOM 334 O ILE A 24 -5.290 -0.693 -0.280 1.00 0.00 O ATOM 335 CB ILE A 24 -4.220 -2.851 -2.016 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.297 -4.011 -2.405 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.156 -2.540 -3.196 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.933 -5.391 -2.186 1.00 0.00 C ATOM 0 H ILE A 24 -3.087 -2.169 0.454 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.814 -1.277 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.811 -3.165 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.019 -3.909 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.377 -3.946 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.666 -3.452 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.893 -1.798 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.573 -2.149 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.227 -6.168 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.186 -5.512 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.837 -5.475 -2.789 1.00 0.00 H new ATOM 349 N LEU A 25 -4.446 0.598 -1.929 1.00 0.00 N ATOM 350 CA LEU A 25 -5.407 1.700 -1.828 1.00 0.00 C ATOM 351 C LEU A 25 -6.059 1.890 -3.202 1.00 0.00 C ATOM 352 O LEU A 25 -5.443 2.448 -4.115 1.00 0.00 O ATOM 353 CB LEU A 25 -4.811 3.015 -1.281 1.00 0.00 C ATOM 354 CG LEU A 25 -3.725 2.860 -0.217 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.103 4.206 0.149 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.302 2.288 1.069 1.00 0.00 C ATOM 0 H LEU A 25 -3.734 0.757 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.157 1.428 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.397 3.580 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.621 3.613 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.975 2.194 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.335 4.058 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.655 4.653 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.875 4.870 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.509 2.187 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.073 2.957 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.738 1.309 0.869 1.00 0.00 H new ATOM 367 N HIS A 26 -7.292 1.405 -3.356 1.00 0.00 N ATOM 368 CA HIS A 26 -8.100 1.553 -4.565 1.00 0.00 C ATOM 369 C HIS A 26 -7.473 0.778 -5.750 1.00 0.00 C ATOM 370 O HIS A 26 -7.143 1.346 -6.789 1.00 0.00 O ATOM 371 CB HIS A 26 -8.347 3.050 -4.855 1.00 0.00 C ATOM 372 CG HIS A 26 -8.455 3.966 -3.647 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.592 4.292 -2.933 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.433 4.724 -3.133 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.255 5.242 -2.048 1.00 0.00 C ATOM 376 NE2 HIS A 26 -7.952 5.545 -2.131 1.00 0.00 N ATOM 0 H HIS A 26 -7.769 0.883 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.080 1.102 -4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.537 3.413 -5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.267 3.138 -5.433 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.519 3.884 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.401 4.691 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.945 5.704 -1.357 1.00 0.00 H new ATOM 383 N TYR A 27 -7.239 -0.527 -5.557 1.00 0.00 N ATOM 384 CA TYR A 27 -6.528 -1.462 -6.450 1.00 0.00 C ATOM 385 C TYR A 27 -5.032 -1.200 -6.652 1.00 0.00 C ATOM 386 O TYR A 27 -4.314 -2.099 -7.100 1.00 0.00 O ATOM 387 CB TYR A 27 -7.129 -1.566 -7.854 1.00 0.00 C ATOM 388 CG TYR A 27 -8.612 -1.873 -7.929 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.045 -3.210 -7.837 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.539 -0.859 -8.229 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.375 -3.544 -8.135 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.887 -1.188 -8.460 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.302 -2.530 -8.419 1.00 0.00 C ATOM 394 OH TYR A 27 -12.588 -2.852 -8.717 1.00 0.00 O ATOM 0 H TYR A 27 -7.564 -0.995 -4.711 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.656 -2.389 -5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.948 -0.626 -8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.591 -2.341 -8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.351 -3.981 -7.536 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.217 0.170 -8.282 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.684 -4.579 -8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.604 -0.408 -8.669 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.099 -2.033 -8.887 1.00 0.00 H new ATOM 403 N LYS A 28 -4.562 0.026 -6.411 1.00 0.00 N ATOM 404 CA LYS A 28 -3.164 0.349 -6.610 1.00 0.00 C ATOM 405 C LYS A 28 -2.351 -0.282 -5.478 1.00 0.00 C ATOM 406 O LYS A 28 -2.878 -0.408 -4.381 1.00 0.00 O ATOM 407 CB LYS A 28 -2.981 1.860 -6.707 1.00 0.00 C ATOM 408 CG LYS A 28 -3.619 2.488 -7.948 1.00 0.00 C ATOM 409 CD LYS A 28 -3.101 1.926 -9.271 1.00 0.00 C ATOM 410 CE LYS A 28 -3.248 2.952 -10.402 1.00 0.00 C ATOM 411 NZ LYS A 28 -2.780 2.389 -11.683 1.00 0.00 N ATOM 0 H LYS A 28 -5.134 0.803 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.801 -0.062 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.407 2.325 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.915 2.087 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.698 2.341 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.442 3.563 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.053 1.645 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.650 1.019 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.291 3.254 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.676 3.848 -10.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.454 3.159 -12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.995 1.730 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.561 1.881 -12.145 1.00 0.00 H new ATOM 421 N VAL A 29 -1.101 -0.681 -5.725 1.00 0.00 N ATOM 422 CA VAL A 29 -0.175 -1.166 -4.711 1.00 0.00 C ATOM 423 C VAL A 29 0.851 -0.074 -4.388 1.00 0.00 C ATOM 424 O VAL A 29 1.334 0.643 -5.273 1.00 0.00 O ATOM 425 CB VAL A 29 0.501 -2.469 -5.156 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.668 -2.848 -4.249 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.464 -3.630 -4.970 1.00 0.00 C ATOM 0 H VAL A 29 -0.699 -0.674 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.731 -1.396 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 29 0.818 -2.303 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.116 -3.777 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.415 -2.055 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.307 -2.984 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.016 -4.556 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.743 -3.706 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.357 -3.461 -5.571 1.00 0.00 H new ATOM 437 N TYR A 30 1.172 0.024 -3.100 1.00 0.00 N ATOM 438 CA TYR A 30 1.926 1.055 -2.434 1.00 0.00 C ATOM 439 C TYR A 30 3.175 0.429 -1.783 1.00 0.00 C ATOM 440 O TYR A 30 3.121 -0.755 -1.471 1.00 0.00 O ATOM 441 CB TYR A 30 0.871 1.587 -1.447 1.00 0.00 C ATOM 442 CG TYR A 30 -0.233 2.377 -2.121 1.00 0.00 C ATOM 443 CD1 TYR A 30 -0.101 3.757 -2.363 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.343 1.693 -2.637 1.00 0.00 C ATOM 445 CE1 TYR A 30 -1.120 4.448 -3.050 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.308 2.382 -3.380 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.227 3.759 -3.551 1.00 0.00 C ATOM 448 OH TYR A 30 -3.250 4.413 -4.169 1.00 0.00 O ATOM 0 H TYR A 30 0.875 -0.695 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 30 2.336 1.854 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.431 0.748 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.361 2.219 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.778 4.285 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.453 0.633 -2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.044 5.516 -3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.126 1.837 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.028 3.820 -4.230 1.00 0.00 H new ATOM 457 N ASP A 31 4.283 1.170 -1.621 1.00 0.00 N ATOM 458 CA ASP A 31 5.443 0.794 -0.772 1.00 0.00 C ATOM 459 C ASP A 31 5.913 2.030 0.009 1.00 0.00 C ATOM 460 O ASP A 31 6.404 2.988 -0.588 1.00 0.00 O ATOM 461 CB ASP A 31 6.641 0.213 -1.552 1.00 0.00 C ATOM 462 CG ASP A 31 7.748 -0.342 -0.630 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.893 0.166 0.507 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.412 -1.323 -1.040 1.00 0.00 O ATOM 0 H ASP A 31 4.408 2.070 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 31 5.092 0.002 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.289 -0.583 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.063 0.989 -2.191 1.00 0.00 H new ATOM 468 N LEU A 32 5.760 2.011 1.335 1.00 0.00 N ATOM 469 CA LEU A 32 5.843 3.224 2.149 1.00 0.00 C ATOM 470 C LEU A 32 6.882 3.212 3.268 1.00 0.00 C ATOM 471 O LEU A 32 6.867 4.105 4.109 1.00 0.00 O ATOM 472 CB LEU A 32 4.442 3.454 2.718 1.00 0.00 C ATOM 473 CG LEU A 32 3.378 3.198 1.644 1.00 0.00 C ATOM 474 CD1 LEU A 32 2.009 3.473 2.192 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.469 4.143 0.463 1.00 0.00 C ATOM 0 H LEU A 32 5.577 1.162 1.870 1.00 0.00 H new ATOM 0 HA LEU A 32 6.187 4.032 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.275 2.793 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.356 4.476 3.087 1.00 0.00 H new ATOM 0 HG LEU A 32 3.546 2.165 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.264 3.287 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.820 2.819 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.948 4.513 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.686 3.903 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.343 5.169 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.444 4.037 -0.013 1.00 0.00 H new ATOM 486 N THR A 33 7.791 2.235 3.254 1.00 0.00 N ATOM 487 CA THR A 33 8.770 1.850 4.284 1.00 0.00 C ATOM 488 C THR A 33 9.556 2.969 4.994 1.00 0.00 C ATOM 489 O THR A 33 10.078 2.755 6.082 1.00 0.00 O ATOM 490 CB THR A 33 9.709 0.830 3.625 1.00 0.00 C ATOM 491 OG1 THR A 33 8.904 -0.064 2.884 1.00 0.00 O ATOM 492 CG2 THR A 33 10.488 -0.005 4.644 1.00 0.00 C ATOM 0 H THR A 33 7.871 1.628 2.438 1.00 0.00 H new ATOM 0 HA THR A 33 8.199 1.446 5.120 1.00 0.00 H new ATOM 0 HB THR A 33 10.427 1.379 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.976 0.145 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.135 -0.708 4.120 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.096 0.653 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.789 -0.555 5.274 1.00 0.00 H new ATOM 500 N LYS A 34 9.620 4.163 4.412 1.00 0.00 N ATOM 501 CA LYS A 34 10.140 5.380 5.040 1.00 0.00 C ATOM 502 C LYS A 34 9.053 6.282 5.575 1.00 0.00 C ATOM 503 O LYS A 34 9.148 6.797 6.679 1.00 0.00 O ATOM 504 CB LYS A 34 10.809 6.206 3.945 1.00 0.00 C ATOM 505 CG LYS A 34 12.302 6.030 3.965 1.00 0.00 C ATOM 506 CD LYS A 34 12.885 6.901 5.093 1.00 0.00 C ATOM 507 CE LYS A 34 14.331 6.543 5.463 1.00 0.00 C ATOM 508 NZ LYS A 34 14.485 6.464 6.932 1.00 0.00 N ATOM 0 H LYS A 34 9.300 4.318 3.456 1.00 0.00 H new ATOM 0 HA LYS A 34 10.793 5.064 5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.418 5.909 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.563 7.259 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.557 4.983 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.730 6.319 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.845 7.947 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.257 6.801 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.603 5.589 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.012 7.292 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.496 6.424 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.057 7.304 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.011 5.609 7.285 1.00 0.00 H new ATOM 518 N PHE A 35 8.059 6.516 4.728 1.00 0.00 N ATOM 519 CA PHE A 35 6.923 7.391 5.034 1.00 0.00 C ATOM 520 C PHE A 35 6.377 7.082 6.430 1.00 0.00 C ATOM 521 O PHE A 35 6.010 7.979 7.180 1.00 0.00 O ATOM 522 CB PHE A 35 5.839 7.319 3.960 1.00 0.00 C ATOM 523 CG PHE A 35 4.638 8.181 4.292 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.820 9.553 4.551 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.353 7.618 4.386 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.715 10.375 4.816 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.245 8.439 4.659 1.00 0.00 C ATOM 528 CZ PHE A 35 2.423 9.825 4.829 1.00 0.00 C ATOM 0 H PHE A 35 8.014 6.101 3.797 1.00 0.00 H new ATOM 0 HA PHE A 35 7.278 8.421 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.257 7.636 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.518 6.284 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.815 9.974 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.217 6.555 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.857 11.428 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.258 8.007 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.565 10.466 4.970 1.00 0.00 H new ATOM 537 N LEU A 36 6.400 5.794 6.779 1.00 0.00 N ATOM 538 CA LEU A 36 6.261 5.245 8.125 1.00 0.00 C ATOM 539 C LEU A 36 6.707 6.230 9.232 1.00 0.00 C ATOM 540 O LEU A 36 5.939 6.566 10.128 1.00 0.00 O ATOM 541 CB LEU A 36 7.178 4.007 8.139 1.00 0.00 C ATOM 542 CG LEU A 36 6.817 2.906 7.144 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.435 1.600 7.662 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.313 2.675 6.968 1.00 0.00 C ATOM 0 H LEU A 36 6.525 5.060 6.081 1.00 0.00 H new ATOM 0 HA LEU A 36 5.215 5.022 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.199 4.331 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.169 3.582 9.143 1.00 0.00 H new ATOM 0 HG LEU A 36 7.198 3.218 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.198 0.788 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.517 1.712 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.030 1.372 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.150 1.877 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.874 2.393 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.844 3.591 6.610 1.00 0.00 H new ATOM 555 N GLU A 37 7.957 6.690 9.136 1.00 0.00 N ATOM 556 CA GLU A 37 8.665 7.597 10.033 1.00 0.00 C ATOM 557 C GLU A 37 8.023 8.999 10.114 1.00 0.00 C ATOM 558 O GLU A 37 8.109 9.666 11.142 1.00 0.00 O ATOM 559 CB GLU A 37 10.115 7.690 9.512 1.00 0.00 C ATOM 560 CG GLU A 37 10.860 6.339 9.509 1.00 0.00 C ATOM 561 CD GLU A 37 12.183 6.376 8.756 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.764 7.468 8.558 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.644 5.301 8.312 1.00 0.00 O ATOM 0 H GLU A 37 8.551 6.409 8.355 1.00 0.00 H new ATOM 0 HA GLU A 37 8.622 7.206 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.103 8.090 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.668 8.399 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.046 6.033 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.218 5.580 9.062 1.00 0.00 H new ATOM 568 N GLU A 38 7.417 9.461 9.016 1.00 0.00 N ATOM 569 CA GLU A 38 6.892 10.813 8.822 1.00 0.00 C ATOM 570 C GLU A 38 5.396 10.904 9.163 1.00 0.00 C ATOM 571 O GLU A 38 4.924 11.863 9.771 1.00 0.00 O ATOM 572 CB GLU A 38 7.090 11.199 7.346 1.00 0.00 C ATOM 573 CG GLU A 38 8.501 10.897 6.822 1.00 0.00 C ATOM 574 CD GLU A 38 8.713 11.422 5.408 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.158 10.789 4.483 1.00 0.00 O ATOM 576 OE2 GLU A 38 9.415 12.446 5.279 1.00 0.00 O ATOM 0 H GLU A 38 7.273 8.870 8.197 1.00 0.00 H new ATOM 0 HA GLU A 38 7.427 11.489 9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.362 10.663 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.885 12.263 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.238 11.345 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.670 9.820 6.837 1.00 0.00 H new ATOM 581 N HIS A 39 4.646 9.915 8.679 1.00 0.00 N ATOM 582 CA HIS A 39 3.191 9.839 8.665 1.00 0.00 C ATOM 583 C HIS A 39 2.536 10.168 10.020 1.00 0.00 C ATOM 584 O HIS A 39 2.727 9.427 10.983 1.00 0.00 O ATOM 585 CB HIS A 39 2.826 8.418 8.227 1.00 0.00 C ATOM 586 CG HIS A 39 1.349 8.135 8.154 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.738 7.023 8.680 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.414 8.816 7.421 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.534 7.028 8.249 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.785 8.106 7.479 1.00 0.00 N ATOM 0 H HIS A 39 5.072 9.089 8.258 1.00 0.00 H new ATOM 0 HA HIS A 39 2.809 10.594 7.978 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.265 8.232 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.282 7.712 8.920 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.170 6.324 9.285 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.577 9.742 6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.262 6.267 8.488 1.00 0.00 H new ATOM 597 N PRO A 40 1.694 11.215 10.110 1.00 0.00 N ATOM 598 CA PRO A 40 1.035 11.594 11.358 1.00 0.00 C ATOM 599 C PRO A 40 0.065 10.519 11.870 1.00 0.00 C ATOM 600 O PRO A 40 -0.179 10.432 13.069 1.00 0.00 O ATOM 601 CB PRO A 40 0.346 12.933 11.072 1.00 0.00 C ATOM 602 CG PRO A 40 0.097 12.880 9.567 1.00 0.00 C ATOM 603 CD PRO A 40 1.307 12.119 9.039 1.00 0.00 C ATOM 0 HA PRO A 40 1.757 11.692 12.169 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.584 13.035 11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.977 13.778 11.347 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.835 12.367 9.331 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.030 13.878 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.059 11.569 8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.120 12.800 8.787 1.00 0.00 H new ATOM 608 N GLY A 41 -0.456 9.667 10.981 1.00 0.00 N ATOM 609 CA GLY A 41 -1.203 8.473 11.374 1.00 0.00 C ATOM 610 C GLY A 41 -0.363 7.457 12.165 1.00 0.00 C ATOM 611 O GLY A 41 -0.925 6.601 12.845 1.00 0.00 O ATOM 0 H GLY A 41 -0.371 9.787 9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.060 8.772 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.596 7.989 10.480 1.00 0.00 H new ATOM 615 N GLY A 42 0.970 7.522 12.058 1.00 0.00 N ATOM 616 CA GLY A 42 1.908 6.623 12.714 1.00 0.00 C ATOM 617 C GLY A 42 2.492 5.621 11.718 1.00 0.00 C ATOM 618 O GLY A 42 1.928 5.393 10.644 1.00 0.00 O ATOM 0 H GLY A 42 1.435 8.230 11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.713 7.200 13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.403 6.089 13.519 1.00 0.00 H new ATOM 622 N GLU A 43 3.609 4.997 12.086 1.00 0.00 N ATOM 623 CA GLU A 43 4.152 3.869 11.351 1.00 0.00 C ATOM 624 C GLU A 43 3.366 2.624 11.653 1.00 0.00 C ATOM 625 O GLU A 43 2.882 1.947 10.745 1.00 0.00 O ATOM 626 CB GLU A 43 5.614 3.545 11.709 1.00 0.00 C ATOM 627 CG GLU A 43 6.042 3.158 13.142 1.00 0.00 C ATOM 628 CD GLU A 43 5.639 4.146 14.232 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.412 4.249 14.462 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.549 4.792 14.787 1.00 0.00 O ATOM 0 H GLU A 43 4.159 5.263 12.903 1.00 0.00 H new ATOM 0 HA GLU A 43 4.093 4.161 10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.923 2.727 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.206 4.416 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.614 2.184 13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.126 3.043 13.161 1.00 0.00 H new ATOM 635 N GLU A 44 3.231 2.313 12.942 1.00 0.00 N ATOM 636 CA GLU A 44 2.822 0.980 13.285 1.00 0.00 C ATOM 637 C GLU A 44 1.389 0.735 12.826 1.00 0.00 C ATOM 638 O GLU A 44 1.042 -0.364 12.422 1.00 0.00 O ATOM 639 CB GLU A 44 2.958 0.645 14.775 1.00 0.00 C ATOM 640 CG GLU A 44 4.400 0.651 15.304 1.00 0.00 C ATOM 641 CD GLU A 44 4.533 -0.129 16.607 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.828 0.239 17.569 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.321 -1.100 16.605 1.00 0.00 O ATOM 0 H GLU A 44 3.394 2.945 13.726 1.00 0.00 H new ATOM 0 HA GLU A 44 3.508 0.314 12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.371 1.362 15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.524 -0.339 14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.063 0.220 14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.724 1.680 15.462 1.00 0.00 H new ATOM 648 N HIS A 45 0.577 1.790 12.848 1.00 0.00 N ATOM 649 CA HIS A 45 -0.793 1.797 12.365 1.00 0.00 C ATOM 650 C HIS A 45 -0.896 1.718 10.833 1.00 0.00 C ATOM 651 O HIS A 45 -1.873 1.216 10.287 1.00 0.00 O ATOM 652 CB HIS A 45 -1.453 3.064 12.908 1.00 0.00 C ATOM 653 CG HIS A 45 -2.879 3.246 12.454 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.856 2.273 12.432 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.415 4.377 11.902 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.955 2.815 11.884 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.738 4.097 11.548 1.00 0.00 N ATOM 0 H HIS A 45 0.871 2.694 13.217 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.306 0.904 12.722 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.428 3.038 13.997 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.868 3.930 12.597 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.761 1.316 12.771 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.906 5.320 11.764 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.887 2.291 11.734 1.00 0.00 H new ATOM 664 N LEU A 46 0.132 2.177 10.123 1.00 0.00 N ATOM 665 CA LEU A 46 0.225 2.013 8.678 1.00 0.00 C ATOM 666 C LEU A 46 0.742 0.602 8.359 1.00 0.00 C ATOM 667 O LEU A 46 0.351 -0.018 7.370 1.00 0.00 O ATOM 668 CB LEU A 46 1.113 3.151 8.148 1.00 0.00 C ATOM 669 CG LEU A 46 1.251 3.235 6.624 1.00 0.00 C ATOM 670 CD1 LEU A 46 -0.118 3.274 5.942 1.00 0.00 C ATOM 671 CD2 LEU A 46 1.999 4.522 6.259 1.00 0.00 C ATOM 0 H LEU A 46 0.923 2.673 10.535 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.741 2.088 8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.712 4.098 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.108 3.040 8.578 1.00 0.00 H new ATOM 0 HG LEU A 46 1.793 2.352 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.015 3.334 4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.674 2.370 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.672 4.147 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.101 4.589 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.440 5.384 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.988 4.510 6.717 1.00 0.00 H new ATOM 682 N ARG A 47 1.573 0.055 9.249 1.00 0.00 N ATOM 683 CA ARG A 47 2.149 -1.276 9.113 1.00 0.00 C ATOM 684 C ARG A 47 1.122 -2.356 9.418 1.00 0.00 C ATOM 685 O ARG A 47 1.050 -3.383 8.751 1.00 0.00 O ATOM 686 CB ARG A 47 3.344 -1.383 10.056 1.00 0.00 C ATOM 687 CG ARG A 47 4.215 -2.606 9.724 1.00 0.00 C ATOM 688 CD ARG A 47 3.743 -3.882 10.438 1.00 0.00 C ATOM 689 NE ARG A 47 3.903 -5.083 9.588 1.00 0.00 N ATOM 690 CZ ARG A 47 2.999 -6.037 9.324 1.00 0.00 C ATOM 691 NH1 ARG A 47 1.696 -5.854 9.479 1.00 0.00 N ATOM 692 NH2 ARG A 47 3.425 -7.198 8.852 1.00 0.00 N ATOM 0 H ARG A 47 1.867 0.537 10.098 1.00 0.00 H new ATOM 0 HA ARG A 47 2.474 -1.427 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.946 -0.477 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.992 -1.454 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.205 -2.772 8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.248 -2.398 10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.309 -4.012 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.696 -3.774 10.720 1.00 0.00 H new ATOM 0 HE ARG A 47 4.816 -5.199 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.343 -4.957 9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.046 -6.610 9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.422 -7.351 8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.757 -7.940 8.643 1.00 0.00 H new ATOM 703 N GLU A 48 0.359 -2.129 10.475 1.00 0.00 N ATOM 704 CA GLU A 48 -0.841 -2.869 10.865 1.00 0.00 C ATOM 705 C GLU A 48 -1.640 -3.304 9.629 1.00 0.00 C ATOM 706 O GLU A 48 -1.885 -4.490 9.417 1.00 0.00 O ATOM 707 CB GLU A 48 -1.656 -1.921 11.756 1.00 0.00 C ATOM 708 CG GLU A 48 -3.091 -2.360 12.098 1.00 0.00 C ATOM 709 CD GLU A 48 -4.023 -1.154 12.121 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.896 -0.349 13.069 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.808 -1.023 11.156 1.00 0.00 O ATOM 0 H GLU A 48 0.571 -1.375 11.129 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.589 -3.784 11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.112 -1.779 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.705 -0.949 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.441 -3.085 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.105 -2.857 13.068 1.00 0.00 H new ATOM 716 N GLN A 49 -1.982 -2.324 8.790 1.00 0.00 N ATOM 717 CA GLN A 49 -2.664 -2.536 7.521 1.00 0.00 C ATOM 718 C GLN A 49 -1.781 -3.266 6.502 1.00 0.00 C ATOM 719 O GLN A 49 -2.237 -4.132 5.760 1.00 0.00 O ATOM 720 CB GLN A 49 -2.999 -1.167 6.921 1.00 0.00 C ATOM 721 CG GLN A 49 -4.157 -0.404 7.560 1.00 0.00 C ATOM 722 CD GLN A 49 -5.458 -1.191 7.600 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.064 -1.454 6.573 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.938 -1.564 8.777 1.00 0.00 N ATOM 0 H GLN A 49 -1.786 -1.342 8.982 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.549 -3.140 7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.107 -0.543 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.224 -1.305 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.880 -0.125 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.319 0.522 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.426 -1.341 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.819 -2.075 8.830 1.00 0.00 H new ATOM 731 N ALA A 50 -0.521 -2.836 6.421 1.00 0.00 N ATOM 732 CA ALA A 50 0.398 -3.196 5.357 1.00 0.00 C ATOM 733 C ALA A 50 0.510 -4.688 5.015 1.00 0.00 C ATOM 734 O ALA A 50 0.468 -5.580 5.865 1.00 0.00 O ATOM 735 CB ALA A 50 1.787 -2.663 5.696 1.00 0.00 C ATOM 0 H ALA A 50 -0.108 -2.212 7.114 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.029 -2.739 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.483 -2.930 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.746 -1.578 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.125 -3.100 6.636 1.00 0.00 H new ATOM 741 N GLY A 51 0.737 -4.928 3.724 1.00 0.00 N ATOM 742 CA GLY A 51 0.773 -6.245 3.089 1.00 0.00 C ATOM 743 C GLY A 51 -0.428 -6.463 2.159 1.00 0.00 C ATOM 744 O GLY A 51 -0.577 -7.529 1.559 1.00 0.00 O ATOM 0 H GLY A 51 0.909 -4.173 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.697 -6.349 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.783 -7.019 3.857 1.00 0.00 H new ATOM 748 N GLY A 52 -1.266 -5.426 2.033 1.00 0.00 N ATOM 749 CA GLY A 52 -2.347 -5.290 1.072 1.00 0.00 C ATOM 750 C GLY A 52 -3.448 -4.385 1.622 1.00 0.00 C ATOM 751 O GLY A 52 -3.194 -3.637 2.562 1.00 0.00 O ATOM 0 H GLY A 52 -1.195 -4.612 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.962 -4.877 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.759 -6.272 0.839 1.00 0.00 H new ATOM 755 N ASP A 53 -4.617 -4.409 0.971 1.00 0.00 N ATOM 756 CA ASP A 53 -5.871 -3.743 1.310 1.00 0.00 C ATOM 757 C ASP A 53 -5.841 -2.922 2.597 1.00 0.00 C ATOM 758 O ASP A 53 -5.975 -3.409 3.718 1.00 0.00 O ATOM 759 CB ASP A 53 -7.109 -4.632 1.206 1.00 0.00 C ATOM 760 CG ASP A 53 -8.382 -3.774 1.237 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.260 -2.524 1.324 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.463 -4.386 1.143 1.00 0.00 O ATOM 0 H ASP A 53 -4.713 -4.949 0.111 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.971 -3.007 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.074 -5.210 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.123 -5.346 2.029 1.00 0.00 H new ATOM 766 N ALA A 54 -5.683 -1.637 2.345 1.00 0.00 N ATOM 767 CA ALA A 54 -5.768 -0.555 3.288 1.00 0.00 C ATOM 768 C ALA A 54 -6.671 0.521 2.688 1.00 0.00 C ATOM 769 O ALA A 54 -6.678 1.670 3.129 1.00 0.00 O ATOM 770 CB ALA A 54 -4.319 -0.152 3.514 1.00 0.00 C ATOM 0 H ALA A 54 -5.477 -1.305 1.403 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.219 -0.787 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.278 0.674 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.763 -1.001 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.877 0.161 2.568 1.00 0.00 H new ATOM 776 N THR A 55 -7.468 0.119 1.692 1.00 0.00 N ATOM 777 CA THR A 55 -8.404 0.962 0.979 1.00 0.00 C ATOM 778 C THR A 55 -9.539 1.284 1.933 1.00 0.00 C ATOM 779 O THR A 55 -9.858 2.450 2.140 1.00 0.00 O ATOM 780 CB THR A 55 -8.902 0.199 -0.255 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.843 -0.163 -1.115 1.00 0.00 O ATOM 782 CG2 THR A 55 -9.873 1.047 -1.078 1.00 0.00 C ATOM 0 H THR A 55 -7.470 -0.844 1.355 1.00 0.00 H new ATOM 0 HA THR A 55 -7.947 1.892 0.639 1.00 0.00 H new ATOM 0 HB THR A 55 -9.396 -0.693 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.048 -0.378 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.208 0.478 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.734 1.313 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.371 1.955 -1.411 1.00 0.00 H new ATOM 790 N GLU A 56 -10.075 0.246 2.584 1.00 0.00 N ATOM 791 CA GLU A 56 -11.054 0.418 3.642 1.00 0.00 C ATOM 792 C GLU A 56 -10.578 1.427 4.690 1.00 0.00 C ATOM 793 O GLU A 56 -11.232 2.448 4.889 1.00 0.00 O ATOM 794 CB GLU A 56 -11.418 -0.950 4.233 1.00 0.00 C ATOM 795 CG GLU A 56 -12.541 -0.828 5.274 1.00 0.00 C ATOM 796 CD GLU A 56 -12.987 -2.185 5.805 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.277 -2.704 6.692 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.026 -2.674 5.312 1.00 0.00 O ATOM 0 H GLU A 56 -9.839 -0.727 2.388 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.966 0.846 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.731 -1.622 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.537 -1.395 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.198 -0.210 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.394 -0.317 4.827 1.00 0.00 H new ATOM 803 N ASN A 57 -9.406 1.217 5.307 1.00 0.00 N ATOM 804 CA ASN A 57 -8.928 2.182 6.299 1.00 0.00 C ATOM 805 C ASN A 57 -8.763 3.585 5.679 1.00 0.00 C ATOM 806 O ASN A 57 -9.203 4.576 6.253 1.00 0.00 O ATOM 807 CB ASN A 57 -7.660 1.696 7.033 1.00 0.00 C ATOM 808 CG ASN A 57 -7.723 2.087 8.509 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.002 3.226 8.851 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.470 1.152 9.415 1.00 0.00 N ATOM 0 H ASN A 57 -8.794 0.418 5.144 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.695 2.264 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.569 0.614 6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.774 2.132 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.507 1.381 10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.238 0.204 9.118 1.00 0.00 H new ATOM 816 N PHE A 58 -8.188 3.669 4.471 1.00 0.00 N ATOM 817 CA PHE A 58 -7.940 4.940 3.767 1.00 0.00 C ATOM 818 C PHE A 58 -9.191 5.611 3.134 1.00 0.00 C ATOM 819 O PHE A 58 -9.078 6.674 2.508 1.00 0.00 O ATOM 820 CB PHE A 58 -6.837 4.663 2.742 1.00 0.00 C ATOM 821 CG PHE A 58 -6.193 5.853 2.056 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.325 6.700 2.770 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.240 5.938 0.654 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.522 7.628 2.083 1.00 0.00 C ATOM 825 CE2 PHE A 58 -5.404 6.835 -0.037 1.00 0.00 C ATOM 826 CZ PHE A 58 -4.562 7.701 0.681 1.00 0.00 C ATOM 0 H PHE A 58 -7.878 2.850 3.948 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.631 5.687 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.050 4.098 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.253 4.016 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.275 6.637 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.923 5.310 0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.871 8.288 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.410 6.858 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.949 8.419 0.157 1.00 0.00 H new ATOM 835 N GLU A 59 -10.380 5.016 3.309 1.00 0.00 N ATOM 836 CA GLU A 59 -11.697 5.549 2.957 1.00 0.00 C ATOM 837 C GLU A 59 -12.561 5.795 4.215 1.00 0.00 C ATOM 838 O GLU A 59 -13.212 6.834 4.302 1.00 0.00 O ATOM 839 CB GLU A 59 -12.385 4.634 1.928 1.00 0.00 C ATOM 840 CG GLU A 59 -11.724 4.758 0.538 1.00 0.00 C ATOM 841 CD GLU A 59 -12.433 3.979 -0.570 1.00 0.00 C ATOM 842 OE1 GLU A 59 -13.650 3.742 -0.425 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.749 3.670 -1.574 1.00 0.00 O ATOM 0 H GLU A 59 -10.448 4.089 3.728 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.568 6.524 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.334 3.599 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.441 4.894 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.688 5.811 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.693 4.411 0.607 1.00 0.00 H new ATOM 848 N ASP A 60 -12.547 4.889 5.202 1.00 0.00 N ATOM 849 CA ASP A 60 -13.131 5.106 6.528 1.00 0.00 C ATOM 850 C ASP A 60 -12.436 6.309 7.189 1.00 0.00 C ATOM 851 O ASP A 60 -13.034 7.373 7.363 1.00 0.00 O ATOM 852 CB ASP A 60 -13.003 3.814 7.344 1.00 0.00 C ATOM 853 CG ASP A 60 -13.562 3.995 8.745 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.782 3.777 8.902 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.760 4.374 9.623 1.00 0.00 O ATOM 0 H ASP A 60 -12.121 3.968 5.097 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.193 5.343 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.534 3.007 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.955 3.519 7.402 1.00 0.00 H new ATOM 859 N VAL A 61 -11.130 6.189 7.453 1.00 0.00 N ATOM 860 CA VAL A 61 -10.291 7.337 7.779 1.00 0.00 C ATOM 861 C VAL A 61 -9.989 7.979 6.419 1.00 0.00 C ATOM 862 O VAL A 61 -8.875 7.921 5.903 1.00 0.00 O ATOM 863 CB VAL A 61 -9.026 6.905 8.550 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.204 8.126 8.987 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.397 6.102 9.805 1.00 0.00 C ATOM 0 H VAL A 61 -10.632 5.299 7.446 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.775 8.048 8.448 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.436 6.286 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.318 7.793 9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.900 8.694 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.809 8.759 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.489 5.809 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.014 6.716 10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.952 5.210 9.515 1.00 0.00 H new ATOM 875 N GLY A 62 -11.023 8.528 5.776 1.00 0.00 N ATOM 876 CA GLY A 62 -10.961 8.951 4.387 1.00 0.00 C ATOM 877 C GLY A 62 -10.135 10.223 4.185 1.00 0.00 C ATOM 878 O GLY A 62 -10.649 11.334 4.249 1.00 0.00 O ATOM 0 H GLY A 62 -11.930 8.690 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.533 8.148 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.973 9.119 4.019 1.00 0.00 H new ATOM 882 N HIS A 63 -8.842 10.037 3.903 1.00 0.00 N ATOM 883 CA HIS A 63 -7.863 11.109 3.735 1.00 0.00 C ATOM 884 CB HIS A 63 -6.509 10.513 3.352 1.00 0.00 C ATOM 885 CG HIS A 63 -5.817 9.761 4.447 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.383 8.882 5.334 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.481 9.804 4.704 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.407 8.395 6.105 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.222 8.918 5.749 1.00 0.00 N ATOM 0 H HIS A 63 -8.438 9.108 3.782 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.651 9.843 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.856 11.319 3.016 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.373 8.643 5.394 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.753 10.414 4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.550 7.681 6.903 1.00 0.00 H new ATOM 896 N SER A 64 -7.693 13.346 2.826 1.00 0.00 N ATOM 897 CA SER A 64 -7.786 14.492 1.926 1.00 0.00 C ATOM 898 C SER A 64 -7.178 14.231 0.543 1.00 0.00 C ATOM 899 O SER A 64 -6.195 13.506 0.417 1.00 0.00 O ATOM 900 CB SER A 64 -7.013 15.652 2.573 1.00 0.00 C ATOM 901 OG SER A 64 -7.508 15.911 3.873 1.00 0.00 O ATOM 0 HA SER A 64 -8.843 14.712 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.952 15.407 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.105 16.547 1.957 1.00 0.00 H new ATOM 0 HG SER A 64 -7.285 15.161 4.463 1.00 0.00 H new ATOM 906 N THR A 65 -7.722 14.885 -0.490 1.00 0.00 N ATOM 907 CA THR A 65 -7.176 14.988 -1.850 1.00 0.00 C ATOM 908 C THR A 65 -5.655 15.049 -1.871 1.00 0.00 C ATOM 909 O THR A 65 -5.004 14.271 -2.549 1.00 0.00 O ATOM 910 CB THR A 65 -7.726 16.294 -2.460 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.938 17.279 -1.451 1.00 0.00 O ATOM 912 CG2 THR A 65 -9.089 16.032 -3.100 1.00 0.00 C ATOM 0 H THR A 65 -8.606 15.385 -0.395 1.00 0.00 H new ATOM 0 HA THR A 65 -7.470 14.101 -2.411 1.00 0.00 H new ATOM 0 HB THR A 65 -6.996 16.643 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.073 17.589 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.473 16.957 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.984 15.284 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.783 15.668 -2.342 1.00 0.00 H new ATOM 920 N ASP A 66 -5.107 15.962 -1.091 1.00 0.00 N ATOM 921 CA ASP A 66 -3.712 16.216 -0.805 1.00 0.00 C ATOM 922 C ASP A 66 -2.913 14.910 -0.630 1.00 0.00 C ATOM 923 O ASP A 66 -1.878 14.688 -1.257 1.00 0.00 O ATOM 924 CB ASP A 66 -3.740 17.085 0.464 1.00 0.00 C ATOM 925 CG ASP A 66 -4.616 18.331 0.308 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.838 18.138 0.074 1.00 0.00 O ATOM 927 OD2 ASP A 66 -4.051 19.437 0.408 1.00 0.00 O ATOM 0 H ASP A 66 -5.701 16.619 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.199 16.722 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.108 16.489 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.724 17.389 0.713 1.00 0.00 H new ATOM 931 N ALA A 67 -3.446 13.997 0.182 1.00 0.00 N ATOM 932 CA ALA A 67 -2.890 12.662 0.363 1.00 0.00 C ATOM 933 C ALA A 67 -2.938 11.842 -0.935 1.00 0.00 C ATOM 934 O ALA A 67 -1.948 11.235 -1.317 1.00 0.00 O ATOM 935 CB ALA A 67 -3.624 11.948 1.501 1.00 0.00 C ATOM 0 H ALA A 67 -4.285 14.168 0.737 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.838 12.761 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.206 10.950 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.506 12.517 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.683 11.868 1.257 1.00 0.00 H new ATOM 941 N ARG A 68 -4.066 11.836 -1.648 1.00 0.00 N ATOM 942 CA ARG A 68 -4.233 11.087 -2.899 1.00 0.00 C ATOM 943 C ARG A 68 -3.271 11.620 -3.972 1.00 0.00 C ATOM 944 O ARG A 68 -2.671 10.857 -4.729 1.00 0.00 O ATOM 945 CB ARG A 68 -5.708 11.172 -3.355 1.00 0.00 C ATOM 946 CG ARG A 68 -6.684 10.264 -2.581 1.00 0.00 C ATOM 947 CD ARG A 68 -6.746 10.682 -1.108 1.00 0.00 C ATOM 948 NE ARG A 68 -7.987 10.333 -0.388 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.390 9.126 0.017 1.00 0.00 C ATOM 950 NH1 ARG A 68 -8.083 8.029 -0.651 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.108 9.027 1.122 1.00 0.00 N ATOM 0 H ARG A 68 -4.899 12.356 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.987 10.038 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.043 12.205 -3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.760 10.917 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.678 10.325 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.363 9.225 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.906 10.225 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.608 11.762 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.613 11.109 -0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.523 8.090 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.406 7.121 -0.316 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.347 9.865 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.424 8.112 1.445 1.00 0.00 H new ATOM 962 N GLU A 69 -3.095 12.939 -3.989 1.00 0.00 N ATOM 963 CA GLU A 69 -2.127 13.650 -4.801 1.00 0.00 C ATOM 964 C GLU A 69 -0.697 13.238 -4.423 1.00 0.00 C ATOM 965 O GLU A 69 0.133 12.973 -5.290 1.00 0.00 O ATOM 966 CB GLU A 69 -2.402 15.150 -4.638 1.00 0.00 C ATOM 967 CG GLU A 69 -1.556 16.038 -5.570 1.00 0.00 C ATOM 968 CD GLU A 69 -1.621 15.645 -7.037 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.721 15.321 -7.542 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.550 15.572 -7.678 1.00 0.00 O ATOM 0 H GLU A 69 -3.652 13.565 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.225 13.396 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.458 15.340 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.209 15.436 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.888 17.071 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.517 16.003 -5.242 1.00 0.00 H new ATOM 975 N LEU A 70 -0.426 13.104 -3.120 1.00 0.00 N ATOM 976 CA LEU A 70 0.847 12.606 -2.624 1.00 0.00 C ATOM 977 C LEU A 70 1.122 11.185 -3.102 1.00 0.00 C ATOM 978 O LEU A 70 2.198 10.902 -3.626 1.00 0.00 O ATOM 979 CB LEU A 70 0.913 12.639 -1.079 1.00 0.00 C ATOM 980 CG LEU A 70 2.268 12.161 -0.523 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.471 12.704 -1.284 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.465 12.579 0.932 1.00 0.00 C ATOM 0 H LEU A 70 -1.090 13.341 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 70 1.611 13.271 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.724 13.656 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.119 12.012 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 70 2.223 11.077 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.388 12.324 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.418 12.384 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.469 13.793 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.432 12.222 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.430 13.666 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.673 12.148 1.545 1.00 0.00 H new ATOM 993 N SER A 71 0.161 10.269 -2.960 1.00 0.00 N ATOM 994 CA SER A 71 0.469 8.859 -3.085 1.00 0.00 C ATOM 995 C SER A 71 1.018 8.423 -4.443 1.00 0.00 C ATOM 996 O SER A 71 1.561 7.326 -4.569 1.00 0.00 O ATOM 997 CB SER A 71 -0.733 7.994 -2.704 1.00 0.00 C ATOM 998 OG SER A 71 -1.615 8.636 -1.815 1.00 0.00 O ATOM 0 H SER A 71 -0.817 10.481 -2.762 1.00 0.00 H new ATOM 0 HA SER A 71 1.285 8.703 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.275 7.717 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.378 7.069 -2.250 1.00 0.00 H new ATOM 0 HG SER A 71 -2.364 8.038 -1.608 1.00 0.00 H new ATOM 1003 N LYS A 72 0.915 9.285 -5.452 1.00 0.00 N ATOM 1004 CA LYS A 72 1.626 9.100 -6.717 1.00 0.00 C ATOM 1005 C LYS A 72 3.101 8.746 -6.456 1.00 0.00 C ATOM 1006 O LYS A 72 3.655 7.852 -7.088 1.00 0.00 O ATOM 1007 CB LYS A 72 1.527 10.376 -7.561 1.00 0.00 C ATOM 1008 CG LYS A 72 0.071 10.812 -7.730 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.008 12.052 -8.628 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.470 12.480 -8.797 1.00 0.00 C ATOM 1011 NZ LYS A 72 -1.568 13.861 -9.310 1.00 0.00 N ATOM 0 H LYS A 72 0.340 10.127 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 72 1.166 8.277 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.096 11.175 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.974 10.204 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.511 10.000 -8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.366 11.031 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.570 12.866 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.432 11.836 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.974 11.798 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.985 12.408 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.441 14.301 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.747 14.411 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.585 13.845 -10.350 1.00 0.00 H new ATOM 1021 N THR A 73 3.707 9.418 -5.468 1.00 0.00 N ATOM 1022 CA THR A 73 5.098 9.187 -5.051 1.00 0.00 C ATOM 1023 C THR A 73 5.339 7.960 -4.161 1.00 0.00 C ATOM 1024 O THR A 73 6.478 7.696 -3.783 1.00 0.00 O ATOM 1025 CB THR A 73 5.693 10.447 -4.397 1.00 0.00 C ATOM 1026 OG1 THR A 73 7.090 10.417 -4.585 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.460 10.552 -2.883 1.00 0.00 C ATOM 0 H THR A 73 3.240 10.147 -4.929 1.00 0.00 H new ATOM 0 HA THR A 73 5.617 8.960 -5.982 1.00 0.00 H new ATOM 0 HB THR A 73 5.195 11.295 -4.867 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.418 9.503 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.913 11.470 -2.508 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.389 10.567 -2.680 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.912 9.694 -2.385 1.00 0.00 H new ATOM 1035 N PHE A 74 4.272 7.247 -3.802 1.00 0.00 N ATOM 1036 CA PHE A 74 4.231 6.132 -2.853 1.00 0.00 C ATOM 1037 C PHE A 74 3.844 4.810 -3.519 1.00 0.00 C ATOM 1038 O PHE A 74 4.032 3.732 -2.953 1.00 0.00 O ATOM 1039 CB PHE A 74 3.178 6.495 -1.816 1.00 0.00 C ATOM 1040 CG PHE A 74 3.562 7.498 -0.750 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.851 8.061 -0.660 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.606 7.801 0.227 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.137 9.005 0.339 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.906 8.705 1.251 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.151 9.344 1.275 1.00 0.00 C ATOM 0 H PHE A 74 3.351 7.445 -4.192 1.00 0.00 H new ATOM 0 HA PHE A 74 5.220 5.986 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.306 6.882 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.867 5.577 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.619 7.766 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.633 7.335 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.112 9.467 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.178 8.910 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.353 10.101 2.018 1.00 0.00 H new ATOM 1054 N ILE A 75 3.243 4.901 -4.701 1.00 0.00 N ATOM 1055 CA ILE A 75 2.801 3.752 -5.462 1.00 0.00 C ATOM 1056 C ILE A 75 3.964 3.058 -6.151 1.00 0.00 C ATOM 1057 O ILE A 75 4.971 3.666 -6.506 1.00 0.00 O ATOM 1058 CB ILE A 75 1.783 4.242 -6.512 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.425 4.261 -5.818 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.718 3.439 -7.823 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -0.691 4.646 -6.773 1.00 0.00 C ATOM 0 H ILE A 75 3.049 5.792 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 75 2.346 3.026 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 75 2.107 5.226 -6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.219 3.278 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.451 4.966 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.968 3.877 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.691 3.464 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.449 2.406 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.642 4.648 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.499 5.641 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.735 3.926 -7.590 1.00 0.00 H new ATOM 1072 N ILE A 76 3.748 1.771 -6.401 1.00 0.00 N ATOM 1073 CA ILE A 76 4.585 0.953 -7.268 1.00 0.00 C ATOM 1074 C ILE A 76 3.788 0.420 -8.473 1.00 0.00 C ATOM 1075 O ILE A 76 4.352 0.231 -9.549 1.00 0.00 O ATOM 1076 CB ILE A 76 5.273 -0.143 -6.448 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.221 -1.026 -5.771 1.00 0.00 C ATOM 1078 CG2 ILE A 76 6.210 0.492 -5.406 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.896 -2.112 -4.929 1.00 0.00 C ATOM 0 H ILE A 76 2.966 1.256 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 76 5.376 1.568 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 76 5.871 -0.769 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.577 -0.415 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.583 -1.486 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.696 -0.293 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.967 1.089 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.632 1.131 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.134 -2.731 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.521 -2.734 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.514 -1.646 -4.162 1.00 0.00 H new ATOM 1090 N GLY A 77 2.469 0.218 -8.332 1.00 0.00 N ATOM 1091 CA GLY A 77 1.596 -0.077 -9.467 1.00 0.00 C ATOM 1092 C GLY A 77 0.201 -0.532 -9.032 1.00 0.00 C ATOM 1093 O GLY A 77 -0.434 0.170 -8.254 1.00 0.00 O ATOM 0 H GLY A 77 1.986 0.255 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.506 0.811 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.053 -0.854 -10.080 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.254 -1.702 -9.495 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.539 -2.319 -9.149 1.00 0.00 C ATOM 1099 C GLU A 78 -1.328 -3.620 -8.366 1.00 0.00 C ATOM 1100 O GLU A 78 -0.256 -4.221 -8.385 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.299 -2.701 -10.435 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.385 -1.719 -10.895 1.00 0.00 C ATOM 1103 CD GLU A 78 -2.902 -0.476 -11.620 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -1.783 0.019 -11.361 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.729 0.101 -12.358 1.00 0.00 O ATOM 0 H GLU A 78 0.286 -2.268 -10.149 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.095 -1.597 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.574 -2.813 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.761 -3.677 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.073 -2.252 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.956 -1.406 -10.021 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.431 -4.133 -7.821 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.517 -5.444 -7.165 1.00 0.00 C ATOM 1112 C LEU A 79 -2.639 -6.634 -8.084 1.00 0.00 C ATOM 1113 O LEU A 79 -2.929 -7.714 -7.601 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.618 -5.408 -6.092 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.950 -6.129 -6.423 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.116 -7.265 -5.418 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.106 -5.144 -6.314 1.00 0.00 C ATOM 0 H LEU A 79 -3.320 -3.633 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.548 -5.611 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.215 -5.845 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.843 -4.364 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.940 -6.524 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.046 -7.797 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.277 -7.955 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.144 -6.856 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.041 -5.653 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.152 -4.748 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.954 -4.325 -7.017 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.414 -6.425 -9.379 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.639 -7.384 -10.447 1.00 0.00 C ATOM 1130 C HIS A 80 -4.123 -7.580 -10.724 1.00 0.00 C ATOM 1131 O HIS A 80 -4.977 -7.192 -9.913 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.893 -8.676 -10.138 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.717 -9.687 -11.223 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.263 -10.939 -11.312 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.824 -9.553 -12.240 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.824 -11.475 -12.467 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.932 -10.668 -13.066 1.00 0.00 N ATOM 0 H HIS A 80 -2.052 -5.536 -9.725 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.232 -6.993 -11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.901 -8.405 -9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.410 -9.165 -9.313 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.883 -11.381 -10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.147 -8.724 -12.382 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.146 -12.428 -12.860 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.472 -8.111 -11.899 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.837 -8.439 -12.199 1.00 0.00 C ATOM 1146 C PRO A 81 -6.156 -9.915 -12.037 1.00 0.00 C ATOM 1147 O PRO A 81 -7.299 -10.290 -12.288 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.011 -8.038 -13.649 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.611 -7.964 -14.262 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.674 -8.283 -13.106 1.00 0.00 C ATOM 0 HA PRO A 81 -6.508 -7.926 -11.511 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.627 -8.765 -14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.517 -7.076 -13.725 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.495 -8.679 -15.076 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.410 -6.976 -14.675 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.290 -9.301 -13.181 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.812 -7.616 -13.105 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.203 -10.723 -11.571 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.578 -12.118 -11.226 1.00 0.00 C ATOM 1157 C ASP A 82 -5.713 -12.233 -9.707 1.00 0.00 C ATOM 1158 O ASP A 82 -5.431 -13.251 -9.077 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.611 -13.114 -11.885 1.00 0.00 C ATOM 1160 CG ASP A 82 -5.153 -14.533 -11.997 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.390 -14.685 -12.098 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.301 -15.446 -12.050 1.00 0.00 O ATOM 0 H ASP A 82 -4.225 -10.472 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.553 -12.383 -11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.361 -12.753 -12.883 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.684 -13.136 -11.312 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.191 -11.118 -9.156 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.082 -10.761 -7.786 1.00 0.00 C ATOM 1168 C ASP A 83 -7.311 -9.910 -7.424 1.00 0.00 C ATOM 1169 O ASP A 83 -8.193 -10.365 -6.699 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.773 -9.967 -7.898 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.534 -10.839 -7.760 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -3.072 -11.309 -8.825 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -3.041 -10.994 -6.624 1.00 0.00 O ATOM 0 H ASP A 83 -6.688 -10.416 -9.704 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.060 -11.539 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.746 -9.456 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.755 -9.196 -7.128 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.371 -8.715 -8.028 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.477 -7.752 -7.981 1.00 0.00 C ATOM 1179 C ARG A 84 -9.196 -7.613 -6.620 1.00 0.00 C ATOM 1180 O ARG A 84 -8.494 -7.383 -5.613 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.471 -8.048 -9.114 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.983 -7.948 -10.547 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.655 -6.503 -10.982 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.382 -6.021 -10.410 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.927 -4.772 -10.295 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.660 -3.730 -10.658 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.704 -4.592 -9.817 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.447 -7.640 -6.627 1.00 0.00 O ATOM 0 H ARG A 84 -6.597 -8.375 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.015 -6.775 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.855 -9.057 -8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.314 -7.366 -9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.093 -8.566 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.744 -8.356 -11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.603 -6.456 -12.070 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.464 -5.841 -10.673 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.762 -6.747 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.597 -3.872 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.288 -2.785 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.138 -5.397 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.329 -3.649 -9.718 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.473 8.584 6.545 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.287 11.318 8.512 1.00 0.00 C HETATM 1202 CHB HEM A 201 -0.995 10.747 4.212 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.134 5.970 4.294 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.048 6.487 8.814 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.107 10.630 6.436 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.592 11.539 7.327 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.378 12.850 6.768 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.580 12.696 5.658 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.517 11.283 5.384 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.010 13.796 4.796 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.130 14.099 7.176 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.624 14.078 6.846 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.999 14.084 5.359 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.108 14.310 4.515 1.00 0.00 O HETATM 1215 O2A HEM A 201 -6.204 13.889 5.083 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.635 8.380 4.656 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.078 9.395 3.903 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.668 8.835 2.636 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.939 7.492 2.716 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.613 7.213 3.951 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.267 9.618 1.406 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.405 6.418 1.802 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.784 6.358 0.513 1.00 0.00 C HETATM 1224 NC HEM A 201 -2.988 6.601 6.545 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.789 5.733 5.495 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.434 4.487 5.828 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.871 4.630 7.122 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.634 5.973 7.573 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.626 3.290 4.924 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.813 3.687 7.817 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.338 2.640 8.518 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.413 8.846 8.408 1.00 0.00 N HETATM 1233 C1D HEM A 201 -3.956 7.843 9.156 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.488 8.447 10.363 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.296 9.813 10.256 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.618 10.050 9.003 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.169 7.714 11.499 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.647 10.919 11.237 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.606 10.624 12.389 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.869 11.849 13.257 1.00 0.00 C HETATM 1241 O1D HEM A 201 -5.357 12.934 12.905 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.583 11.673 14.267 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.135 13.424 4.263 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.722 14.638 5.425 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.762 14.121 4.077 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.459 9.044 0.830 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.177 10.567 1.707 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.148 9.809 0.793 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.709 3.625 3.890 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.536 2.762 5.208 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.772 2.620 5.021 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.674 6.830 11.110 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -5.899 8.372 11.970 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.424 7.412 12.235 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.389 5.576 -0.135 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.486 7.092 0.117 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.028 1.961 9.019 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.263 2.471 8.585 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.089 14.943 7.318 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.062 13.191 7.304 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.675 14.959 6.684 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.010 14.245 8.249 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -5.193 9.827 13.007 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.551 10.258 11.987 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.070 11.743 10.663 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -3.714 11.278 11.672 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.590 12.179 9.089 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.505 11.409 3.513 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.024 5.153 3.596 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.458 5.802 9.541 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.297 5.681 2.191 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.889 3.852 7.753 1.00 0.00 H new