USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 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 USER MOD Set 1.2: A 201 HEM CMB :methyl 150:sc= -0.346 (180deg=-0.346) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.42 K(o=-1.9,f=-4.6!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.49 K(o=-1.9,f=-0.87) USER MOD Set 3.1: A 45 HIS : no HE2:sc= 0.482 K(o=-3.4,f=-6.9!) USER MOD Set 3.2: A 201 HEM CMD :methyl -30:sc= -3.86! (180deg=-4.04!) USER MOD Set 4.1: A 15 HIS : no HD1:sc= 0.0645 K(o=0.66,f=-6.8!) USER MOD Set 4.2: A 20 SER OG : rot 157:sc= 0.596 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30: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= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 2.47 (180deg=1.86) USER MOD Single : A 16 ASN : amide:sc= 0.419 K(o=0.42,f=-12!) USER MOD Single : A 17 ASN : amide:sc= 0.445 K(o=0.44,f=-4.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.018 USER MOD Single : A 26 HIS : no HD1:sc= -0.965 X(o=-0.97,f=-0.76) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 1.07 (180deg=-0.0172!) USER MOD Single : A 30 TYR OH : rot 18:sc= 0.81 USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.92 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.35 (180deg=-0.498) USER MOD Single : A 55 THR OG1 : rot 40:sc= 1.23 USER MOD Single : A 64 SER OG : rot -129:sc= 1.76 USER MOD Single : A 65 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0.897 (180deg=-1.16!) USER MOD Single : A 73 THR OG1 : rot -37:sc= 0.287 USER MOD Single : A 80 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-6.9!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0212 (180deg=-0.479) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.0606 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.874 -0.992 -19.845 1.00 0.00 N ATOM 2 CA ALA A 3 1.089 -1.108 -18.594 1.00 0.00 C ATOM 3 C ALA A 3 2.013 -1.008 -17.374 1.00 0.00 C ATOM 4 O ALA A 3 3.226 -0.966 -17.561 1.00 0.00 O ATOM 5 CB ALA A 3 0.300 -2.422 -18.585 1.00 0.00 C ATOM 0 HA ALA A 3 0.377 -0.285 -18.544 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.273 -2.496 -17.661 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.380 -2.444 -19.436 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.991 -3.262 -18.651 1.00 0.00 H new ATOM 13 N VAL A 4 1.464 -0.974 -16.156 1.00 0.00 N ATOM 14 CA VAL A 4 2.267 -1.077 -14.933 1.00 0.00 C ATOM 15 C VAL A 4 2.860 -2.489 -14.780 1.00 0.00 C ATOM 16 O VAL A 4 2.454 -3.412 -15.482 1.00 0.00 O ATOM 17 CB VAL A 4 1.428 -0.675 -13.704 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.925 0.769 -13.825 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.235 -1.611 -13.460 1.00 0.00 C ATOM 0 H VAL A 4 0.462 -0.876 -15.990 1.00 0.00 H new ATOM 0 HA VAL A 4 3.104 -0.382 -15.007 1.00 0.00 H new ATOM 0 HB VAL A 4 2.097 -0.760 -12.848 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.336 1.024 -12.944 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.776 1.446 -13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.304 0.865 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.317 -1.276 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.423 -1.596 -14.329 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.597 -2.626 -13.296 1.00 0.00 H new ATOM 29 N LYS A 5 3.805 -2.677 -13.850 1.00 0.00 N ATOM 30 CA LYS A 5 4.360 -4.004 -13.569 1.00 0.00 C ATOM 31 C LYS A 5 3.327 -4.968 -12.991 1.00 0.00 C ATOM 32 O LYS A 5 3.362 -6.140 -13.349 1.00 0.00 O ATOM 33 CB LYS A 5 5.633 -3.900 -12.701 1.00 0.00 C ATOM 34 CG LYS A 5 6.008 -5.279 -12.132 1.00 0.00 C ATOM 35 CD LYS A 5 7.387 -5.389 -11.471 1.00 0.00 C ATOM 36 CE LYS A 5 7.455 -6.772 -10.790 1.00 0.00 C ATOM 37 NZ LYS A 5 8.682 -6.968 -9.988 1.00 0.00 N ATOM 0 H LYS A 5 4.199 -1.928 -13.281 1.00 0.00 H new ATOM 0 HA LYS A 5 4.655 -4.439 -14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.457 -3.510 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.468 -3.196 -11.886 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.253 -5.563 -11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.957 -6.008 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.179 -5.286 -12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.529 -4.593 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.584 -6.896 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.400 -7.548 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.668 -7.914 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.516 -6.880 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.726 -6.248 -9.239 1.00 0.00 H new ATOM 47 N TYR A 6 2.463 -4.475 -12.094 1.00 0.00 N ATOM 48 CA TYR A 6 1.547 -5.274 -11.276 1.00 0.00 C ATOM 49 C TYR A 6 2.307 -6.114 -10.255 1.00 0.00 C ATOM 50 O TYR A 6 3.391 -6.622 -10.527 1.00 0.00 O ATOM 51 CB TYR A 6 0.667 -6.204 -12.115 1.00 0.00 C ATOM 52 CG TYR A 6 -0.136 -5.546 -13.223 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.369 -4.950 -12.930 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.332 -5.544 -14.552 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.094 -4.275 -13.927 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.393 -4.873 -15.553 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.591 -4.219 -15.235 1.00 0.00 C ATOM 58 OH TYR A 6 -2.256 -3.514 -16.189 1.00 0.00 O ATOM 0 H TYR A 6 2.381 -3.474 -11.913 1.00 0.00 H new ATOM 0 HA TYR A 6 0.905 -4.557 -10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.303 -6.969 -12.560 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.026 -6.716 -11.447 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.767 -5.010 -11.928 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.248 -6.058 -14.802 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.034 -3.801 -13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.026 -4.862 -16.569 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.731 -2.765 -15.771 1.00 0.00 H new ATOM 67 N TYR A 7 1.733 -6.279 -9.068 1.00 0.00 N ATOM 68 CA TYR A 7 2.348 -7.125 -8.066 1.00 0.00 C ATOM 69 C TYR A 7 1.273 -8.012 -7.467 1.00 0.00 C ATOM 70 O TYR A 7 0.335 -7.523 -6.849 1.00 0.00 O ATOM 71 CB TYR A 7 3.076 -6.271 -7.036 1.00 0.00 C ATOM 72 CG TYR A 7 4.076 -5.298 -7.626 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.655 -4.045 -8.105 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.428 -5.664 -7.724 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.595 -3.163 -8.665 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.383 -4.707 -8.098 1.00 0.00 C ATOM 77 CZ TYR A 7 5.963 -3.454 -8.571 1.00 0.00 C ATOM 78 OH TYR A 7 6.882 -2.538 -8.977 1.00 0.00 O ATOM 0 H TYR A 7 0.856 -5.843 -8.784 1.00 0.00 H new ATOM 0 HA TYR A 7 3.106 -7.773 -8.505 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.339 -5.711 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.595 -6.928 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.615 -3.762 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.732 -6.679 -7.512 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.265 -2.265 -9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.436 -4.933 -8.022 1.00 0.00 H new ATOM 0 HH TYR A 7 7.784 -2.898 -8.843 1.00 0.00 H new ATOM 87 N THR A 8 1.390 -9.316 -7.693 1.00 0.00 N ATOM 88 CA THR A 8 0.463 -10.280 -7.123 1.00 0.00 C ATOM 89 C THR A 8 0.516 -10.156 -5.605 1.00 0.00 C ATOM 90 O THR A 8 1.566 -9.882 -5.023 1.00 0.00 O ATOM 91 CB THR A 8 0.836 -11.705 -7.552 1.00 0.00 C ATOM 92 OG1 THR A 8 2.208 -11.930 -7.298 1.00 0.00 O ATOM 93 CG2 THR A 8 0.572 -11.916 -9.042 1.00 0.00 C ATOM 0 H THR A 8 2.123 -9.729 -8.270 1.00 0.00 H new ATOM 0 HA THR A 8 -0.546 -10.077 -7.481 1.00 0.00 H new ATOM 0 HB THR A 8 0.223 -12.403 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.446 -12.841 -7.570 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.845 -12.934 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.486 -11.754 -9.251 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.168 -11.210 -9.621 1.00 0.00 H new ATOM 101 N LEU A 9 -0.613 -10.364 -4.948 1.00 0.00 N ATOM 102 CA LEU A 9 -0.756 -10.375 -3.502 1.00 0.00 C ATOM 103 C LEU A 9 0.250 -11.300 -2.822 1.00 0.00 C ATOM 104 O LEU A 9 0.577 -11.075 -1.668 1.00 0.00 O ATOM 105 CB LEU A 9 -2.153 -10.864 -3.224 1.00 0.00 C ATOM 106 CG LEU A 9 -2.688 -10.675 -1.796 1.00 0.00 C ATOM 107 CD1 LEU A 9 -2.939 -9.199 -1.466 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.005 -11.445 -1.670 1.00 0.00 C ATOM 0 H LEU A 9 -1.495 -10.538 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.572 -9.376 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.832 -10.357 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.194 -11.927 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.940 -11.048 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.316 -9.113 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.006 -8.642 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.673 -8.791 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.402 -11.324 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.724 -11.058 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.828 -12.503 -1.866 1.00 0.00 H new ATOM 119 N GLU A 10 0.734 -12.345 -3.507 1.00 0.00 N ATOM 120 CA GLU A 10 1.909 -13.081 -3.026 1.00 0.00 C ATOM 121 C GLU A 10 3.000 -12.058 -2.678 1.00 0.00 C ATOM 122 O GLU A 10 3.480 -11.983 -1.548 1.00 0.00 O ATOM 123 CB GLU A 10 2.449 -14.079 -4.079 1.00 0.00 C ATOM 124 CG GLU A 10 3.973 -14.260 -3.856 1.00 0.00 C ATOM 125 CD GLU A 10 4.675 -15.434 -4.509 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.995 -16.278 -5.126 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.920 -15.426 -4.353 1.00 0.00 O ATOM 0 H GLU A 10 0.338 -12.694 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 10 1.620 -13.666 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.937 -15.037 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.256 -13.708 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.466 -13.350 -4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.143 -14.331 -2.782 1.00 0.00 H new ATOM 132 N GLU A 11 3.382 -11.266 -3.680 1.00 0.00 N ATOM 133 CA GLU A 11 4.415 -10.264 -3.570 1.00 0.00 C ATOM 134 C GLU A 11 4.010 -9.266 -2.514 1.00 0.00 C ATOM 135 O GLU A 11 4.721 -9.088 -1.536 1.00 0.00 O ATOM 136 CB GLU A 11 4.691 -9.608 -4.934 1.00 0.00 C ATOM 137 CG GLU A 11 6.118 -9.043 -5.020 1.00 0.00 C ATOM 138 CD GLU A 11 7.165 -10.073 -5.436 1.00 0.00 C ATOM 139 OE1 GLU A 11 7.239 -11.130 -4.767 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.874 -9.783 -6.425 1.00 0.00 O ATOM 0 H GLU A 11 2.964 -11.313 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 11 5.355 -10.724 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.543 -10.342 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.972 -8.806 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.130 -8.219 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.394 -8.630 -4.050 1.00 0.00 H new ATOM 145 N ILE A 12 2.817 -8.691 -2.644 1.00 0.00 N ATOM 146 CA ILE A 12 2.343 -7.733 -1.658 1.00 0.00 C ATOM 147 C ILE A 12 2.448 -8.286 -0.232 1.00 0.00 C ATOM 148 O ILE A 12 2.976 -7.613 0.654 1.00 0.00 O ATOM 149 CB ILE A 12 0.939 -7.205 -1.989 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.677 -6.956 -3.484 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.731 -5.867 -1.283 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.790 -6.629 -3.745 1.00 0.00 C ATOM 0 H ILE A 12 2.171 -8.870 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 12 3.007 -6.870 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 12 0.255 -7.987 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.302 -6.134 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.962 -7.838 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.264 -5.485 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.827 -6.005 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.481 -5.154 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.941 -6.459 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.412 -7.463 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.067 -5.732 -3.191 1.00 0.00 H new ATOM 163 N GLN A 13 2.080 -9.555 -0.028 1.00 0.00 N ATOM 164 CA GLN A 13 2.210 -10.177 1.291 1.00 0.00 C ATOM 165 C GLN A 13 3.646 -10.171 1.820 1.00 0.00 C ATOM 166 O GLN A 13 3.866 -10.116 3.029 1.00 0.00 O ATOM 167 CB GLN A 13 1.707 -11.622 1.257 1.00 0.00 C ATOM 168 CG GLN A 13 0.192 -11.685 1.492 1.00 0.00 C ATOM 169 CD GLN A 13 -0.189 -11.372 2.934 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.733 -10.321 3.241 1.00 0.00 O ATOM 171 NE2 GLN A 13 0.092 -12.287 3.851 1.00 0.00 N ATOM 0 H GLN A 13 1.695 -10.164 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 13 1.601 -9.575 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.948 -12.072 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.221 -12.207 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.305 -10.979 0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.172 -12.679 1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.546 -13.159 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.146 -12.119 4.829 1.00 0.00 H new ATOM 178 N LYS A 14 4.628 -10.251 0.922 1.00 0.00 N ATOM 179 CA LYS A 14 6.029 -10.336 1.284 1.00 0.00 C ATOM 180 C LYS A 14 6.587 -8.949 1.682 1.00 0.00 C ATOM 181 O LYS A 14 7.698 -8.865 2.201 1.00 0.00 O ATOM 182 CB LYS A 14 6.786 -11.008 0.120 1.00 0.00 C ATOM 183 CG LYS A 14 6.501 -12.523 0.056 1.00 0.00 C ATOM 184 CD LYS A 14 6.437 -13.096 -1.373 1.00 0.00 C ATOM 185 CE LYS A 14 7.752 -13.139 -2.156 1.00 0.00 C ATOM 186 NZ LYS A 14 7.495 -13.423 -3.589 1.00 0.00 N ATOM 0 H LYS A 14 4.464 -10.258 -0.085 1.00 0.00 H new ATOM 0 HA LYS A 14 6.166 -10.953 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.494 -10.542 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.857 -10.843 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.276 -13.050 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.555 -12.725 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.042 -14.110 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.720 -12.506 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.273 -12.187 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.405 -13.905 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.387 -13.682 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.819 -14.209 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.098 -12.577 -4.045 1.00 0.00 H new ATOM 196 N HIS A 15 5.815 -7.866 1.491 1.00 0.00 N ATOM 197 CA HIS A 15 6.163 -6.500 1.894 1.00 0.00 C ATOM 198 C HIS A 15 5.257 -5.985 3.023 1.00 0.00 C ATOM 199 O HIS A 15 4.358 -5.170 2.817 1.00 0.00 O ATOM 200 CB HIS A 15 6.108 -5.591 0.670 1.00 0.00 C ATOM 201 CG HIS A 15 7.105 -5.955 -0.406 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.417 -5.546 -0.531 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.832 -6.763 -1.472 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.912 -6.109 -1.646 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.988 -6.869 -2.249 1.00 0.00 N ATOM 0 H HIS A 15 4.903 -7.923 1.037 1.00 0.00 H new ATOM 0 HA HIS A 15 7.176 -6.499 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.104 -5.626 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.286 -4.563 0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.885 -7.239 -1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.920 -5.968 -2.008 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.105 -7.415 -3.103 1.00 0.00 H new ATOM 212 N ASN A 16 5.550 -6.446 4.237 1.00 0.00 N ATOM 213 CA ASN A 16 4.839 -6.087 5.465 1.00 0.00 C ATOM 214 C ASN A 16 5.706 -6.359 6.711 1.00 0.00 C ATOM 215 O ASN A 16 5.286 -7.040 7.643 1.00 0.00 O ATOM 216 CB ASN A 16 3.498 -6.840 5.480 1.00 0.00 C ATOM 217 CG ASN A 16 2.665 -6.631 6.739 1.00 0.00 C ATOM 218 OD1 ASN A 16 2.742 -5.599 7.396 1.00 0.00 O ATOM 219 ND2 ASN A 16 1.861 -7.618 7.109 1.00 0.00 N ATOM 0 H ASN A 16 6.314 -7.102 4.400 1.00 0.00 H new ATOM 0 HA ASN A 16 4.632 -5.017 5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.911 -6.527 4.616 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.694 -7.906 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.294 -7.525 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.809 -8.470 6.551 1.00 0.00 H new ATOM 225 N ASN A 17 6.936 -5.833 6.735 1.00 0.00 N ATOM 226 CA ASN A 17 7.803 -5.854 7.916 1.00 0.00 C ATOM 227 C ASN A 17 8.904 -4.796 7.721 1.00 0.00 C ATOM 228 O ASN A 17 8.859 -4.064 6.736 1.00 0.00 O ATOM 229 CB ASN A 17 8.367 -7.281 8.087 1.00 0.00 C ATOM 230 CG ASN A 17 8.947 -7.552 9.472 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.020 -6.671 10.317 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.391 -8.775 9.720 1.00 0.00 N ATOM 0 H ASN A 17 7.360 -5.377 5.927 1.00 0.00 H new ATOM 0 HA ASN A 17 7.260 -5.607 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.574 -8.001 7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.143 -7.447 7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.802 -8.994 10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.322 -9.498 9.003 1.00 0.00 H new ATOM 238 N SER A 18 9.941 -4.751 8.570 1.00 0.00 N ATOM 239 CA SER A 18 11.153 -3.950 8.338 1.00 0.00 C ATOM 240 C SER A 18 11.648 -4.068 6.884 1.00 0.00 C ATOM 241 O SER A 18 12.196 -3.125 6.322 1.00 0.00 O ATOM 242 CB SER A 18 12.240 -4.391 9.324 1.00 0.00 C ATOM 243 OG SER A 18 11.696 -4.482 10.628 1.00 0.00 O ATOM 0 H SER A 18 9.963 -5.274 9.445 1.00 0.00 H new ATOM 0 HA SER A 18 10.914 -2.899 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.648 -5.356 9.022 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.065 -3.678 9.313 1.00 0.00 H new ATOM 0 HG SER A 18 12.394 -4.766 11.255 1.00 0.00 H new ATOM 248 N LYS A 19 11.420 -5.247 6.291 1.00 0.00 N ATOM 249 CA LYS A 19 11.515 -5.562 4.869 1.00 0.00 C ATOM 250 C LYS A 19 11.098 -4.384 3.982 1.00 0.00 C ATOM 251 O LYS A 19 11.873 -3.863 3.180 1.00 0.00 O ATOM 252 CB LYS A 19 10.517 -6.713 4.630 1.00 0.00 C ATOM 253 CG LYS A 19 10.467 -7.304 3.211 1.00 0.00 C ATOM 254 CD LYS A 19 11.800 -7.800 2.626 1.00 0.00 C ATOM 255 CE LYS A 19 12.512 -6.725 1.785 1.00 0.00 C ATOM 256 NZ LYS A 19 13.585 -7.304 0.951 1.00 0.00 N ATOM 0 H LYS A 19 11.144 -6.063 6.838 1.00 0.00 H new ATOM 0 HA LYS A 19 12.546 -5.811 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.754 -7.518 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.519 -6.356 4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.764 -8.137 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.061 -6.547 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.455 -8.114 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.617 -8.678 2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.786 -6.223 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.933 -5.967 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.041 -6.550 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.291 -7.761 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.179 -8.009 0.303 1.00 0.00 H new ATOM 266 N SER A 20 9.815 -4.052 4.101 1.00 0.00 N ATOM 267 CA SER A 20 9.047 -3.113 3.303 1.00 0.00 C ATOM 268 C SER A 20 7.625 -3.029 3.873 1.00 0.00 C ATOM 269 O SER A 20 7.169 -3.979 4.512 1.00 0.00 O ATOM 270 CB SER A 20 8.910 -3.576 1.846 1.00 0.00 C ATOM 271 OG SER A 20 10.098 -4.036 1.230 1.00 0.00 O ATOM 0 H SER A 20 9.238 -4.476 4.827 1.00 0.00 H new ATOM 0 HA SER A 20 9.569 -2.156 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.170 -4.376 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.515 -2.748 1.257 1.00 0.00 H new ATOM 0 HG SER A 20 9.871 -4.635 0.488 1.00 0.00 H new ATOM 276 N THR A 21 6.902 -1.958 3.539 1.00 0.00 N ATOM 277 CA THR A 21 5.469 -1.814 3.812 1.00 0.00 C ATOM 278 C THR A 21 4.715 -1.494 2.529 1.00 0.00 C ATOM 279 O THR A 21 4.718 -0.345 2.090 1.00 0.00 O ATOM 280 CB THR A 21 5.208 -0.713 4.858 1.00 0.00 C ATOM 281 OG1 THR A 21 5.532 -1.219 6.136 1.00 0.00 O ATOM 282 CG2 THR A 21 3.755 -0.220 4.891 1.00 0.00 C ATOM 0 H THR A 21 7.303 -1.151 3.062 1.00 0.00 H new ATOM 0 HA THR A 21 5.110 -2.762 4.214 1.00 0.00 H new ATOM 0 HB THR A 21 5.829 0.138 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.225 -0.592 6.824 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.650 0.554 5.652 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.488 0.190 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.093 -1.053 5.128 1.00 0.00 H new ATOM 290 N TRP A 22 4.042 -2.497 1.959 1.00 0.00 N ATOM 291 CA TRP A 22 3.095 -2.289 0.873 1.00 0.00 C ATOM 292 C TRP A 22 1.672 -2.308 1.342 1.00 0.00 C ATOM 293 O TRP A 22 1.372 -2.627 2.480 1.00 0.00 O ATOM 294 CB TRP A 22 3.297 -3.291 -0.277 1.00 0.00 C ATOM 295 CG TRP A 22 4.559 -3.254 -1.071 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.656 -2.518 -0.814 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.875 -4.026 -2.262 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.615 -2.763 -1.771 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.185 -3.685 -2.701 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.174 -4.975 -3.027 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.743 -4.246 -3.861 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.795 -5.670 -4.067 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.057 -5.274 -4.519 1.00 0.00 C ATOM 0 H TRP A 22 4.142 -3.472 2.240 1.00 0.00 H new ATOM 0 HA TRP A 22 3.303 -1.291 0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.205 -4.293 0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.469 -3.160 -0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.767 -1.838 0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.532 -2.317 -1.790 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.135 -5.170 -2.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.689 -3.889 -4.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.300 -6.515 -4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.502 -5.760 -5.374 1.00 0.00 H new ATOM 313 N LEU A 23 0.789 -1.892 0.450 1.00 0.00 N ATOM 314 CA LEU A 23 -0.623 -1.882 0.722 1.00 0.00 C ATOM 315 C LEU A 23 -1.426 -1.813 -0.575 1.00 0.00 C ATOM 316 O LEU A 23 -0.832 -1.564 -1.622 1.00 0.00 O ATOM 317 CB LEU A 23 -0.998 -0.744 1.677 1.00 0.00 C ATOM 318 CG LEU A 23 -0.086 0.344 2.257 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.863 1.664 2.104 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.091 0.220 3.776 1.00 0.00 C ATOM 0 H LEU A 23 1.039 -1.554 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.876 -2.818 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.799 -0.204 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.440 -1.235 2.544 1.00 0.00 H new ATOM 0 HG LEU A 23 0.879 0.278 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.266 2.486 2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.072 1.843 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.802 1.599 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.746 1.015 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.880 0.304 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.534 -0.748 4.013 1.00 0.00 H new ATOM 331 N ILE A 24 -2.755 -1.998 -0.504 1.00 0.00 N ATOM 332 CA ILE A 24 -3.656 -1.746 -1.633 1.00 0.00 C ATOM 333 C ILE A 24 -4.702 -0.683 -1.287 1.00 0.00 C ATOM 334 O ILE A 24 -5.517 -0.891 -0.387 1.00 0.00 O ATOM 335 CB ILE A 24 -4.360 -3.023 -2.136 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.380 -4.140 -2.520 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.286 -2.733 -3.326 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.962 -5.553 -2.379 1.00 0.00 C ATOM 0 H ILE A 24 -3.230 -2.326 0.337 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.023 -1.378 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.954 -3.372 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.060 -3.991 -3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.490 -4.060 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.762 -3.658 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.051 -2.017 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.703 -2.318 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.210 -6.287 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.256 -5.724 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.834 -5.653 -3.025 1.00 0.00 H new ATOM 349 N LEU A 25 -4.713 0.425 -2.037 1.00 0.00 N ATOM 350 CA LEU A 25 -5.725 1.480 -1.926 1.00 0.00 C ATOM 351 C LEU A 25 -6.397 1.601 -3.298 1.00 0.00 C ATOM 352 O LEU A 25 -5.840 2.217 -4.210 1.00 0.00 O ATOM 353 CB LEU A 25 -5.189 2.834 -1.400 1.00 0.00 C ATOM 354 CG LEU A 25 -4.028 2.766 -0.405 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.497 4.162 -0.063 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.456 2.113 0.902 1.00 0.00 C ATOM 0 H LEU A 25 -4.008 0.616 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.449 1.197 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.872 3.431 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.014 3.367 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.250 2.175 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.674 4.074 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.143 4.649 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.296 4.757 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.609 2.080 1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.263 2.692 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.803 1.099 0.705 1.00 0.00 H new ATOM 367 N HIS A 26 -7.570 0.979 -3.459 1.00 0.00 N ATOM 368 CA HIS A 26 -8.367 1.018 -4.688 1.00 0.00 C ATOM 369 C HIS A 26 -7.695 0.224 -5.830 1.00 0.00 C ATOM 370 O HIS A 26 -7.374 0.778 -6.877 1.00 0.00 O ATOM 371 CB HIS A 26 -8.674 2.482 -5.073 1.00 0.00 C ATOM 372 CG HIS A 26 -9.020 3.381 -3.906 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.253 3.483 -3.304 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.152 4.181 -3.204 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.129 4.327 -2.265 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.867 4.775 -2.163 1.00 0.00 N ATOM 0 H HIS A 26 -8.001 0.422 -2.721 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.320 0.521 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.809 2.897 -5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.503 2.492 -5.780 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.103 4.325 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.935 4.607 -1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.503 5.422 -1.463 1.00 0.00 H new ATOM 383 N TYR A 27 -7.415 -1.069 -5.606 1.00 0.00 N ATOM 384 CA TYR A 27 -6.659 -1.977 -6.487 1.00 0.00 C ATOM 385 C TYR A 27 -5.182 -1.631 -6.702 1.00 0.00 C ATOM 386 O TYR A 27 -4.399 -2.512 -7.068 1.00 0.00 O ATOM 387 CB TYR A 27 -7.271 -2.149 -7.880 1.00 0.00 C ATOM 388 CG TYR A 27 -8.716 -2.602 -7.916 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.011 -3.974 -7.808 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.759 -1.678 -8.114 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.334 -4.428 -7.913 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.088 -2.133 -8.194 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.375 -3.503 -8.078 1.00 0.00 C ATOM 394 OH TYR A 27 -12.660 -3.939 -8.153 1.00 0.00 O ATOM 0 H TYR A 27 -7.728 -1.538 -4.756 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.724 -2.902 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.195 -1.199 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.670 -2.871 -8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.213 -4.682 -7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.540 -0.624 -8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.550 -5.485 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.890 -1.426 -8.345 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.260 -3.172 -8.266 1.00 0.00 H new ATOM 403 N LYS A 28 -4.802 -0.363 -6.542 1.00 0.00 N ATOM 404 CA LYS A 28 -3.440 0.066 -6.773 1.00 0.00 C ATOM 405 C LYS A 28 -2.576 -0.464 -5.626 1.00 0.00 C ATOM 406 O LYS A 28 -3.075 -0.543 -4.509 1.00 0.00 O ATOM 407 CB LYS A 28 -3.400 1.582 -6.950 1.00 0.00 C ATOM 408 CG LYS A 28 -3.914 1.993 -8.340 1.00 0.00 C ATOM 409 CD LYS A 28 -2.828 1.961 -9.428 1.00 0.00 C ATOM 410 CE LYS A 28 -3.219 2.757 -10.682 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.012 1.926 -11.606 1.00 0.00 N ATOM 0 H LYS A 28 -5.432 0.384 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.031 -0.342 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.007 2.057 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.379 1.940 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.727 1.328 -8.630 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.330 2.999 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.901 2.365 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.630 0.926 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.793 3.638 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.321 3.113 -11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.434 2.530 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.395 1.218 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.767 1.443 -11.078 1.00 0.00 H new ATOM 421 N VAL A 29 -1.325 -0.851 -5.877 1.00 0.00 N ATOM 422 CA VAL A 29 -0.370 -1.239 -4.847 1.00 0.00 C ATOM 423 C VAL A 29 0.542 -0.055 -4.522 1.00 0.00 C ATOM 424 O VAL A 29 0.986 0.679 -5.411 1.00 0.00 O ATOM 425 CB VAL A 29 0.459 -2.454 -5.272 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.603 -2.721 -4.293 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.376 -3.717 -5.153 1.00 0.00 C ATOM 0 H VAL A 29 -0.943 -0.903 -6.821 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.928 -1.524 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 29 0.807 -2.238 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.171 -3.590 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.259 -1.852 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.195 -2.912 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.220 -4.577 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.697 -3.845 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.251 -3.636 -5.797 1.00 0.00 H new ATOM 437 N TYR A 30 0.821 0.091 -3.229 1.00 0.00 N ATOM 438 CA TYR A 30 1.521 1.164 -2.577 1.00 0.00 C ATOM 439 C TYR A 30 2.774 0.573 -1.903 1.00 0.00 C ATOM 440 O TYR A 30 2.702 -0.580 -1.495 1.00 0.00 O ATOM 441 CB TYR A 30 0.447 1.688 -1.611 1.00 0.00 C ATOM 442 CG TYR A 30 -0.687 2.418 -2.309 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.718 1.662 -2.884 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.682 3.818 -2.476 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.716 2.290 -3.640 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.740 4.442 -3.171 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.756 3.676 -3.752 1.00 0.00 C ATOM 448 OH TYR A 30 -3.829 4.258 -4.353 1.00 0.00 O ATOM 0 H TYR A 30 0.527 -0.617 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 30 1.902 1.971 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.037 0.851 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.913 2.360 -0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.743 0.591 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.127 4.410 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.462 1.692 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.765 5.518 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.572 3.620 -4.385 1.00 0.00 H new ATOM 457 N ASP A 31 3.893 1.312 -1.825 1.00 0.00 N ATOM 458 CA ASP A 31 5.093 1.001 -1.019 1.00 0.00 C ATOM 459 C ASP A 31 5.532 2.256 -0.251 1.00 0.00 C ATOM 460 O ASP A 31 5.929 3.250 -0.860 1.00 0.00 O ATOM 461 CB ASP A 31 6.284 0.516 -1.860 1.00 0.00 C ATOM 462 CG ASP A 31 7.494 0.085 -1.009 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.607 0.502 0.171 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.281 -0.726 -1.542 1.00 0.00 O ATOM 0 H ASP A 31 3.994 2.184 -2.345 1.00 0.00 H new ATOM 0 HA ASP A 31 4.810 0.192 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.966 -0.323 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.590 1.313 -2.538 1.00 0.00 H new ATOM 468 N LEU A 32 5.466 2.206 1.081 1.00 0.00 N ATOM 469 CA LEU A 32 5.559 3.391 1.929 1.00 0.00 C ATOM 470 C LEU A 32 6.634 3.311 3.010 1.00 0.00 C ATOM 471 O LEU A 32 6.657 4.158 3.897 1.00 0.00 O ATOM 472 CB LEU A 32 4.177 3.600 2.554 1.00 0.00 C ATOM 473 CG LEU A 32 3.078 3.306 1.530 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.716 3.534 2.108 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.083 4.244 0.344 1.00 0.00 C ATOM 0 H LEU A 32 5.346 1.337 1.602 1.00 0.00 H new ATOM 0 HA LEU A 32 5.863 4.234 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.060 2.948 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.084 4.625 2.912 1.00 0.00 H new ATOM 0 HG LEU A 32 3.280 2.275 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.960 3.316 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.571 2.879 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.624 4.573 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.277 3.973 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.938 5.268 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.038 4.168 -0.176 1.00 0.00 H new ATOM 486 N THR A 33 7.525 2.323 2.921 1.00 0.00 N ATOM 487 CA THR A 33 8.528 1.913 3.914 1.00 0.00 C ATOM 488 C THR A 33 9.312 3.035 4.620 1.00 0.00 C ATOM 489 O THR A 33 9.762 2.852 5.745 1.00 0.00 O ATOM 490 CB THR A 33 9.468 0.927 3.200 1.00 0.00 C ATOM 491 OG1 THR A 33 8.696 -0.056 2.520 1.00 0.00 O ATOM 492 CG2 THR A 33 10.415 0.220 4.173 1.00 0.00 C ATOM 0 H THR A 33 7.570 1.739 2.086 1.00 0.00 H new ATOM 0 HA THR A 33 7.991 1.464 4.750 1.00 0.00 H new ATOM 0 HB THR A 33 10.071 1.504 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.665 0.157 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.058 -0.465 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.029 0.960 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.833 -0.339 4.906 1.00 0.00 H new ATOM 500 N LYS A 34 9.470 4.195 3.989 1.00 0.00 N ATOM 501 CA LYS A 34 10.054 5.392 4.603 1.00 0.00 C ATOM 502 C LYS A 34 8.985 6.339 5.118 1.00 0.00 C ATOM 503 O LYS A 34 9.114 6.920 6.183 1.00 0.00 O ATOM 504 CB LYS A 34 10.795 6.167 3.518 1.00 0.00 C ATOM 505 CG LYS A 34 11.807 5.324 2.760 1.00 0.00 C ATOM 506 CD LYS A 34 13.110 5.046 3.530 1.00 0.00 C ATOM 507 CE LYS A 34 13.987 6.282 3.792 1.00 0.00 C ATOM 508 NZ LYS A 34 13.767 6.878 5.128 1.00 0.00 N ATOM 0 H LYS A 34 9.192 4.336 3.018 1.00 0.00 H new ATOM 0 HA LYS A 34 10.693 5.065 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.070 6.573 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.307 7.015 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.345 4.372 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.053 5.827 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.858 4.588 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.695 4.316 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.036 6.003 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.784 7.033 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.569 7.494 5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.891 7.438 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.686 6.121 5.837 1.00 0.00 H new ATOM 518 N PHE A 35 7.925 6.505 4.332 1.00 0.00 N ATOM 519 CA PHE A 35 6.814 7.387 4.695 1.00 0.00 C ATOM 520 C PHE A 35 6.343 7.088 6.116 1.00 0.00 C ATOM 521 O PHE A 35 6.024 8.004 6.865 1.00 0.00 O ATOM 522 CB PHE A 35 5.663 7.300 3.699 1.00 0.00 C ATOM 523 CG PHE A 35 4.493 8.201 4.048 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.712 9.547 4.402 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.178 7.703 3.990 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.626 10.397 4.665 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.091 8.554 4.251 1.00 0.00 C ATOM 528 CZ PHE A 35 2.316 9.907 4.563 1.00 0.00 C ATOM 0 H PHE A 35 7.810 6.038 3.433 1.00 0.00 H new ATOM 0 HA PHE A 35 7.180 8.413 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.030 7.562 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.315 6.268 3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.721 9.927 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.004 6.666 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.799 11.426 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.083 8.169 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.478 10.570 4.724 1.00 0.00 H new ATOM 537 N LEU A 36 6.369 5.800 6.469 1.00 0.00 N ATOM 538 CA LEU A 36 6.290 5.279 7.831 1.00 0.00 C ATOM 539 C LEU A 36 6.807 6.298 8.870 1.00 0.00 C ATOM 540 O LEU A 36 6.046 6.767 9.711 1.00 0.00 O ATOM 541 CB LEU A 36 7.162 4.008 7.836 1.00 0.00 C ATOM 542 CG LEU A 36 6.671 2.867 6.942 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.324 1.563 7.421 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.153 2.668 6.969 1.00 0.00 C ATOM 0 H LEU A 36 6.450 5.057 5.775 1.00 0.00 H new ATOM 0 HA LEU A 36 5.257 5.071 8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.171 4.280 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.231 3.640 8.860 1.00 0.00 H new ATOM 0 HG LEU A 36 6.945 3.129 5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.987 0.736 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.408 1.652 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.042 1.374 8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.883 1.842 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.834 2.441 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.661 3.579 6.629 1.00 0.00 H new ATOM 555 N GLU A 37 8.072 6.708 8.722 1.00 0.00 N ATOM 556 CA GLU A 37 8.820 7.645 9.558 1.00 0.00 C ATOM 557 C GLU A 37 8.086 8.987 9.777 1.00 0.00 C ATOM 558 O GLU A 37 8.172 9.581 10.850 1.00 0.00 O ATOM 559 CB GLU A 37 10.174 7.896 8.861 1.00 0.00 C ATOM 560 CG GLU A 37 11.026 6.629 8.606 1.00 0.00 C ATOM 561 CD GLU A 37 12.054 6.785 7.488 1.00 0.00 C ATOM 562 OE1 GLU A 37 11.964 7.736 6.679 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.944 5.913 7.362 1.00 0.00 O ATOM 0 H GLU A 37 8.643 6.363 7.950 1.00 0.00 H new ATOM 0 HA GLU A 37 8.943 7.207 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.988 8.388 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.755 8.589 9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.544 6.361 9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.362 5.800 8.361 1.00 0.00 H new ATOM 568 N GLU A 38 7.414 9.486 8.733 1.00 0.00 N ATOM 569 CA GLU A 38 6.804 10.815 8.651 1.00 0.00 C ATOM 570 C GLU A 38 5.300 10.788 8.994 1.00 0.00 C ATOM 571 O GLU A 38 4.781 11.665 9.683 1.00 0.00 O ATOM 572 CB GLU A 38 7.034 11.306 7.212 1.00 0.00 C ATOM 573 CG GLU A 38 6.536 12.736 6.933 1.00 0.00 C ATOM 574 CD GLU A 38 7.409 13.815 7.562 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.610 13.843 7.213 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.854 14.611 8.348 1.00 0.00 O ATOM 0 H GLU A 38 7.275 8.945 7.880 1.00 0.00 H new ATOM 0 HA GLU A 38 7.257 11.487 9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.101 11.258 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.536 10.622 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.495 12.895 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.518 12.838 7.309 1.00 0.00 H new ATOM 581 N HIS A 39 4.585 9.793 8.465 1.00 0.00 N ATOM 582 CA HIS A 39 3.132 9.671 8.473 1.00 0.00 C ATOM 583 C HIS A 39 2.491 9.931 9.851 1.00 0.00 C ATOM 584 O HIS A 39 2.675 9.132 10.770 1.00 0.00 O ATOM 585 CB HIS A 39 2.785 8.267 7.973 1.00 0.00 C ATOM 586 CG HIS A 39 1.309 7.970 7.941 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.700 6.904 8.558 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.360 8.631 7.208 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.588 6.912 8.172 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.854 7.956 7.356 1.00 0.00 N ATOM 0 H HIS A 39 5.034 9.008 7.993 1.00 0.00 H new ATOM 0 HA HIS A 39 2.721 10.443 7.822 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.191 8.140 6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.278 7.534 8.612 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.141 6.234 9.189 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.522 9.521 6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.318 6.177 8.476 1.00 0.00 H new ATOM 597 N PRO A 40 1.669 10.987 10.006 1.00 0.00 N ATOM 598 CA PRO A 40 1.070 11.344 11.291 1.00 0.00 C ATOM 599 C PRO A 40 0.089 10.281 11.804 1.00 0.00 C ATOM 600 O PRO A 40 -0.102 10.151 13.009 1.00 0.00 O ATOM 601 CB PRO A 40 0.420 12.714 11.078 1.00 0.00 C ATOM 602 CG PRO A 40 0.105 12.716 9.585 1.00 0.00 C ATOM 603 CD PRO A 40 1.263 11.931 8.979 1.00 0.00 C ATOM 0 HA PRO A 40 1.823 11.392 12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.481 12.831 11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.094 13.527 11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.854 12.243 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.054 13.729 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.954 11.414 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.085 12.592 8.706 1.00 0.00 H new ATOM 608 N GLY A 41 -0.497 9.481 10.907 1.00 0.00 N ATOM 609 CA GLY A 41 -1.258 8.289 11.285 1.00 0.00 C ATOM 610 C GLY A 41 -0.428 7.265 12.075 1.00 0.00 C ATOM 611 O GLY A 41 -0.994 6.426 12.772 1.00 0.00 O ATOM 0 H GLY A 41 -0.456 9.642 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.118 8.590 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.647 7.814 10.385 1.00 0.00 H new ATOM 615 N GLY A 42 0.905 7.306 11.948 1.00 0.00 N ATOM 616 CA GLY A 42 1.846 6.421 12.620 1.00 0.00 C ATOM 617 C GLY A 42 2.495 5.452 11.631 1.00 0.00 C ATOM 618 O GLY A 42 1.977 5.233 10.531 1.00 0.00 O ATOM 0 H GLY A 42 1.369 7.988 11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.617 7.013 13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.329 5.859 13.398 1.00 0.00 H new ATOM 622 N GLU A 43 3.609 4.837 12.042 1.00 0.00 N ATOM 623 CA GLU A 43 4.263 3.790 11.278 1.00 0.00 C ATOM 624 C GLU A 43 3.484 2.505 11.513 1.00 0.00 C ATOM 625 O GLU A 43 2.986 1.869 10.586 1.00 0.00 O ATOM 626 CB GLU A 43 5.718 3.580 11.748 1.00 0.00 C ATOM 627 CG GLU A 43 6.408 4.806 12.366 1.00 0.00 C ATOM 628 CD GLU A 43 7.926 4.662 12.356 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.463 4.421 11.253 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.511 4.775 13.454 1.00 0.00 O ATOM 0 H GLU A 43 4.078 5.059 12.920 1.00 0.00 H new ATOM 0 HA GLU A 43 4.284 4.068 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.730 2.773 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.310 3.245 10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.124 5.701 11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.062 4.941 13.391 1.00 0.00 H new ATOM 635 N GLU A 44 3.346 2.142 12.792 1.00 0.00 N ATOM 636 CA GLU A 44 2.840 0.843 13.172 1.00 0.00 C ATOM 637 C GLU A 44 1.401 0.669 12.710 1.00 0.00 C ATOM 638 O GLU A 44 1.002 -0.410 12.305 1.00 0.00 O ATOM 639 CB GLU A 44 2.951 0.611 14.678 1.00 0.00 C ATOM 640 CG GLU A 44 4.394 0.726 15.188 1.00 0.00 C ATOM 641 CD GLU A 44 4.514 0.224 16.620 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.276 1.049 17.528 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.814 -0.980 16.771 1.00 0.00 O ATOM 0 H GLU A 44 3.584 2.745 13.580 1.00 0.00 H new ATOM 0 HA GLU A 44 3.459 0.095 12.676 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.326 1.335 15.200 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.562 -0.378 14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.058 0.151 14.542 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.719 1.765 15.136 1.00 0.00 H new ATOM 648 N HIS A 45 0.638 1.760 12.722 1.00 0.00 N ATOM 649 CA HIS A 45 -0.728 1.805 12.232 1.00 0.00 C ATOM 650 C HIS A 45 -0.817 1.641 10.710 1.00 0.00 C ATOM 651 O HIS A 45 -1.780 1.077 10.196 1.00 0.00 O ATOM 652 CB HIS A 45 -1.315 3.140 12.696 1.00 0.00 C ATOM 653 CG HIS A 45 -2.785 3.343 12.407 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.602 2.530 11.649 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.554 4.378 12.868 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.831 3.069 11.655 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.852 4.196 12.383 1.00 0.00 N ATOM 0 H HIS A 45 0.965 2.656 13.083 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.298 0.967 12.634 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.158 3.231 13.771 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.755 3.947 12.223 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.322 1.674 11.170 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.217 5.190 13.495 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.686 2.653 11.144 1.00 0.00 H new ATOM 664 N LEU A 46 0.192 2.119 9.986 1.00 0.00 N ATOM 665 CA LEU A 46 0.278 1.973 8.540 1.00 0.00 C ATOM 666 C LEU A 46 0.848 0.592 8.182 1.00 0.00 C ATOM 667 O LEU A 46 0.543 0.031 7.132 1.00 0.00 O ATOM 668 CB LEU A 46 1.105 3.163 8.025 1.00 0.00 C ATOM 669 CG LEU A 46 1.266 3.263 6.505 1.00 0.00 C ATOM 670 CD1 LEU A 46 -0.092 3.224 5.800 1.00 0.00 C ATOM 671 CD2 LEU A 46 1.945 4.592 6.150 1.00 0.00 C ATOM 0 H LEU A 46 0.980 2.623 10.393 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.696 2.002 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.642 4.083 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.097 3.111 8.473 1.00 0.00 H new ATOM 0 HG LEU A 46 1.867 2.415 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.055 3.297 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.597 2.287 6.035 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.703 4.060 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.060 4.664 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.332 5.420 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.926 4.637 6.623 1.00 0.00 H new ATOM 682 N ARG A 47 1.620 0.010 9.102 1.00 0.00 N ATOM 683 CA ARG A 47 2.203 -1.320 8.982 1.00 0.00 C ATOM 684 C ARG A 47 1.153 -2.385 9.244 1.00 0.00 C ATOM 685 O ARG A 47 0.993 -3.316 8.463 1.00 0.00 O ATOM 686 CB ARG A 47 3.369 -1.411 9.971 1.00 0.00 C ATOM 687 CG ARG A 47 4.345 -2.584 9.760 1.00 0.00 C ATOM 688 CD ARG A 47 4.006 -3.854 10.562 1.00 0.00 C ATOM 689 NE ARG A 47 2.973 -4.664 9.891 1.00 0.00 N ATOM 690 CZ ARG A 47 1.944 -5.328 10.428 1.00 0.00 C ATOM 691 NH1 ARG A 47 1.903 -5.612 11.722 1.00 0.00 N ATOM 692 NH2 ARG A 47 0.928 -5.669 9.646 1.00 0.00 N ATOM 0 H ARG A 47 1.862 0.471 9.979 1.00 0.00 H new ATOM 0 HA ARG A 47 2.574 -1.491 7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.935 -0.481 9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.960 -1.482 10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.366 -2.835 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.349 -2.257 10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.908 -4.452 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.660 -3.574 11.557 1.00 0.00 H new ATOM 0 HE ARG A 47 3.055 -4.727 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.668 -5.323 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.107 -6.120 12.108 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.942 -5.424 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.133 -6.176 10.035 1.00 0.00 H new ATOM 703 N GLU A 48 0.433 -2.232 10.352 1.00 0.00 N ATOM 704 CA GLU A 48 -0.741 -3.010 10.754 1.00 0.00 C ATOM 705 C GLU A 48 -1.559 -3.472 9.540 1.00 0.00 C ATOM 706 O GLU A 48 -1.735 -4.673 9.329 1.00 0.00 O ATOM 707 CB GLU A 48 -1.554 -2.143 11.722 1.00 0.00 C ATOM 708 CG GLU A 48 -2.841 -2.804 12.242 1.00 0.00 C ATOM 709 CD GLU A 48 -4.022 -2.688 11.288 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.275 -1.559 10.813 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.656 -3.729 11.033 1.00 0.00 O ATOM 0 H GLU A 48 0.667 -1.516 11.039 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.439 -3.929 11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.925 -1.883 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.816 -1.210 11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.644 -3.859 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.111 -2.351 13.196 1.00 0.00 H new ATOM 716 N GLN A 49 -1.941 -2.503 8.703 1.00 0.00 N ATOM 717 CA GLN A 49 -2.683 -2.695 7.459 1.00 0.00 C ATOM 718 C GLN A 49 -1.872 -3.401 6.372 1.00 0.00 C ATOM 719 O GLN A 49 -2.405 -4.165 5.573 1.00 0.00 O ATOM 720 CB GLN A 49 -3.008 -1.312 6.885 1.00 0.00 C ATOM 721 CG GLN A 49 -4.180 -0.575 7.519 1.00 0.00 C ATOM 722 CD GLN A 49 -5.473 -1.378 7.526 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.132 -1.520 6.509 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.886 -1.888 8.675 1.00 0.00 N ATOM 0 H GLN A 49 -1.731 -1.521 8.884 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.556 -3.299 7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.120 -0.686 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.210 -1.423 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.921 -0.311 8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.345 0.359 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.327 -1.763 9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.764 -2.406 8.717 1.00 0.00 H new ATOM 731 N ALA A 50 -0.595 -3.031 6.284 1.00 0.00 N ATOM 732 CA ALA A 50 0.290 -3.365 5.183 1.00 0.00 C ATOM 733 C ALA A 50 0.323 -4.842 4.791 1.00 0.00 C ATOM 734 O ALA A 50 0.044 -5.742 5.580 1.00 0.00 O ATOM 735 CB ALA A 50 1.712 -2.922 5.526 1.00 0.00 C ATOM 0 H ALA A 50 -0.138 -2.472 7.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.116 -2.835 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.380 -3.171 4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.727 -1.845 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.045 -3.433 6.429 1.00 0.00 H new ATOM 741 N GLY A 51 0.718 -5.064 3.540 1.00 0.00 N ATOM 742 CA GLY A 51 0.744 -6.375 2.897 1.00 0.00 C ATOM 743 C GLY A 51 -0.384 -6.518 1.873 1.00 0.00 C ATOM 744 O GLY A 51 -0.364 -7.414 1.031 1.00 0.00 O ATOM 0 H GLY A 51 1.038 -4.314 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.705 -6.521 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.652 -7.155 3.653 1.00 0.00 H new ATOM 748 N GLY A 52 -1.349 -5.596 1.919 1.00 0.00 N ATOM 749 CA GLY A 52 -2.389 -5.415 0.925 1.00 0.00 C ATOM 750 C GLY A 52 -3.499 -4.535 1.492 1.00 0.00 C ATOM 751 O GLY A 52 -3.250 -3.794 2.439 1.00 0.00 O ATOM 0 H GLY A 52 -1.422 -4.930 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.972 -4.957 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.795 -6.383 0.630 1.00 0.00 H new ATOM 755 N ASP A 53 -4.670 -4.573 0.849 1.00 0.00 N ATOM 756 CA ASP A 53 -5.936 -3.945 1.211 1.00 0.00 C ATOM 757 C ASP A 53 -5.900 -3.139 2.506 1.00 0.00 C ATOM 758 O ASP A 53 -6.021 -3.643 3.621 1.00 0.00 O ATOM 759 CB ASP A 53 -7.146 -4.874 1.124 1.00 0.00 C ATOM 760 CG ASP A 53 -8.441 -4.052 1.178 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.346 -2.805 1.305 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.507 -4.687 1.060 1.00 0.00 O ATOM 0 H ASP A 53 -4.759 -5.096 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.080 -3.206 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.108 -5.449 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.125 -5.590 1.945 1.00 0.00 H new ATOM 766 N ALA A 54 -5.752 -1.848 2.271 1.00 0.00 N ATOM 767 CA ALA A 54 -5.834 -0.800 3.252 1.00 0.00 C ATOM 768 C ALA A 54 -6.780 0.273 2.721 1.00 0.00 C ATOM 769 O ALA A 54 -6.780 1.414 3.180 1.00 0.00 O ATOM 770 CB ALA A 54 -4.393 -0.369 3.483 1.00 0.00 C ATOM 0 H ALA A 54 -5.561 -1.491 1.335 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.256 -1.083 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.367 0.432 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.813 -1.217 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.965 -0.012 2.546 1.00 0.00 H new ATOM 776 N THR A 55 -7.625 -0.132 1.764 1.00 0.00 N ATOM 777 CA THR A 55 -8.574 0.723 1.082 1.00 0.00 C ATOM 778 C THR A 55 -9.622 1.174 2.092 1.00 0.00 C ATOM 779 O THR A 55 -9.852 2.368 2.267 1.00 0.00 O ATOM 780 CB THR A 55 -9.175 -0.075 -0.086 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.188 -0.375 -1.054 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.292 0.689 -0.795 1.00 0.00 C ATOM 0 H THR A 55 -7.659 -1.099 1.441 1.00 0.00 H new ATOM 0 HA THR A 55 -8.108 1.618 0.671 1.00 0.00 H new ATOM 0 HB THR A 55 -9.579 -0.987 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.350 -0.613 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.685 0.084 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.092 0.905 -0.087 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.898 1.624 -1.193 1.00 0.00 H new ATOM 790 N GLU A 56 -10.201 0.209 2.810 1.00 0.00 N ATOM 791 CA GLU A 56 -11.157 0.492 3.865 1.00 0.00 C ATOM 792 C GLU A 56 -10.582 1.435 4.928 1.00 0.00 C ATOM 793 O GLU A 56 -11.157 2.491 5.172 1.00 0.00 O ATOM 794 CB GLU A 56 -11.684 -0.832 4.435 1.00 0.00 C ATOM 795 CG GLU A 56 -12.836 -0.596 5.423 1.00 0.00 C ATOM 796 CD GLU A 56 -13.492 -1.900 5.856 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.942 -2.529 6.786 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.524 -2.246 5.242 1.00 0.00 O ATOM 0 H GLU A 56 -10.017 -0.785 2.672 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.005 1.036 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.026 -1.470 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.875 -1.362 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.459 -0.071 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.583 0.050 4.961 1.00 0.00 H new ATOM 803 N ASN A 57 -9.418 1.123 5.515 1.00 0.00 N ATOM 804 CA ASN A 57 -8.871 1.995 6.561 1.00 0.00 C ATOM 805 C ASN A 57 -8.569 3.398 5.999 1.00 0.00 C ATOM 806 O ASN A 57 -8.906 4.416 6.602 1.00 0.00 O ATOM 807 CB ASN A 57 -7.646 1.364 7.250 1.00 0.00 C ATOM 808 CG ASN A 57 -7.575 1.758 8.724 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.739 2.916 9.082 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.306 0.809 9.609 1.00 0.00 N ATOM 0 H ASN A 57 -8.854 0.302 5.293 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.630 2.110 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.696 0.279 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.736 1.683 6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.234 1.041 10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.171 -0.154 9.300 1.00 0.00 H new ATOM 816 N PHE A 58 -7.978 3.451 4.798 1.00 0.00 N ATOM 817 CA PHE A 58 -7.652 4.714 4.129 1.00 0.00 C ATOM 818 C PHE A 58 -8.855 5.654 3.930 1.00 0.00 C ATOM 819 O PHE A 58 -8.669 6.872 3.987 1.00 0.00 O ATOM 820 CB PHE A 58 -6.971 4.400 2.795 1.00 0.00 C ATOM 821 CG PHE A 58 -6.540 5.597 1.969 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.515 6.438 2.434 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.049 5.772 0.668 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.988 7.440 1.600 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.471 6.722 -0.193 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.444 7.564 0.275 1.00 0.00 C ATOM 0 H PHE A 58 -7.714 2.622 4.266 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.978 5.264 4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.093 3.786 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.652 3.797 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.130 6.314 3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.884 5.176 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.233 8.114 1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.815 6.806 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.008 8.303 -0.381 1.00 0.00 H new ATOM 835 N GLU A 59 -10.053 5.088 3.714 1.00 0.00 N ATOM 836 CA GLU A 59 -11.329 5.711 3.391 1.00 0.00 C ATOM 837 C GLU A 59 -12.196 5.950 4.642 1.00 0.00 C ATOM 838 O GLU A 59 -12.906 6.948 4.720 1.00 0.00 O ATOM 839 CB GLU A 59 -12.044 4.842 2.342 1.00 0.00 C ATOM 840 CG GLU A 59 -12.950 5.689 1.428 1.00 0.00 C ATOM 841 CD GLU A 59 -12.162 6.695 0.597 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.060 6.337 0.123 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.615 7.857 0.479 1.00 0.00 O ATOM 0 H GLU A 59 -10.152 4.074 3.769 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.150 6.702 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.304 4.318 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.642 4.082 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.507 5.030 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.682 6.220 2.037 1.00 0.00 H new ATOM 848 N ASP A 60 -12.115 5.060 5.639 1.00 0.00 N ATOM 849 CA ASP A 60 -12.682 5.278 6.966 1.00 0.00 C ATOM 850 C ASP A 60 -12.019 6.518 7.589 1.00 0.00 C ATOM 851 O ASP A 60 -12.694 7.464 7.991 1.00 0.00 O ATOM 852 CB ASP A 60 -12.483 4.007 7.798 1.00 0.00 C ATOM 853 CG ASP A 60 -13.066 4.168 9.193 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.284 3.932 9.330 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.279 4.535 10.090 1.00 0.00 O ATOM 0 H ASP A 60 -11.647 4.159 5.541 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.754 5.473 6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.958 3.163 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.420 3.778 7.869 1.00 0.00 H new ATOM 859 N VAL A 61 -10.679 6.549 7.584 1.00 0.00 N ATOM 860 CA VAL A 61 -9.930 7.769 7.884 1.00 0.00 C ATOM 861 C VAL A 61 -10.262 8.818 6.806 1.00 0.00 C ATOM 862 O VAL A 61 -10.545 9.973 7.109 1.00 0.00 O ATOM 863 CB VAL A 61 -8.423 7.461 7.940 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.609 8.742 8.166 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.112 6.477 9.076 1.00 0.00 C ATOM 0 H VAL A 61 -10.094 5.740 7.375 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.212 8.166 8.859 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.146 7.018 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.547 8.497 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.793 9.439 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.907 9.201 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.041 6.273 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.418 6.911 10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.655 5.547 8.910 1.00 0.00 H new ATOM 875 N GLY A 62 -10.228 8.386 5.540 1.00 0.00 N ATOM 876 CA GLY A 62 -10.704 9.109 4.366 1.00 0.00 C ATOM 877 C GLY A 62 -9.970 10.432 4.151 1.00 0.00 C ATOM 878 O GLY A 62 -10.483 11.531 4.346 1.00 0.00 O ATOM 0 H GLY A 62 -9.846 7.472 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.580 8.482 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.771 9.303 4.472 1.00 0.00 H new ATOM 882 N HIS A 63 -8.727 10.255 3.711 1.00 0.00 N ATOM 883 CA HIS A 63 -7.663 11.241 3.605 1.00 0.00 C ATOM 884 CB HIS A 63 -6.432 10.467 3.145 1.00 0.00 C ATOM 885 CG HIS A 63 -5.842 9.606 4.225 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.382 8.479 4.807 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.599 9.795 4.745 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.453 7.998 5.655 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.337 8.755 5.633 1.00 0.00 N ATOM 0 H HIS A 63 -8.415 9.338 3.393 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.701 9.840 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.677 11.171 2.796 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.306 8.086 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.931 10.611 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.584 7.121 6.272 1.00 0.00 H new ATOM 896 N SER A 64 -7.120 13.492 2.843 1.00 0.00 N ATOM 897 CA SER A 64 -7.181 14.706 2.032 1.00 0.00 C ATOM 898 C SER A 64 -6.914 14.475 0.538 1.00 0.00 C ATOM 899 O SER A 64 -6.313 13.481 0.116 1.00 0.00 O ATOM 900 CB SER A 64 -6.141 15.702 2.554 1.00 0.00 C ATOM 901 OG SER A 64 -4.849 15.170 2.349 1.00 0.00 O ATOM 0 HA SER A 64 -8.200 15.083 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.241 16.656 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.304 15.895 3.614 1.00 0.00 H new ATOM 0 HG SER A 64 -4.340 15.216 3.185 1.00 0.00 H new ATOM 906 N THR A 65 -7.323 15.445 -0.281 1.00 0.00 N ATOM 907 CA THR A 65 -6.933 15.528 -1.683 1.00 0.00 C ATOM 908 C THR A 65 -5.422 15.486 -1.808 1.00 0.00 C ATOM 909 O THR A 65 -4.879 14.669 -2.533 1.00 0.00 O ATOM 910 CB THR A 65 -7.436 16.863 -2.257 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.487 17.862 -1.244 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.859 16.697 -2.786 1.00 0.00 C ATOM 0 H THR A 65 -7.940 16.201 0.016 1.00 0.00 H new ATOM 0 HA THR A 65 -7.364 14.687 -2.226 1.00 0.00 H new ATOM 0 HB THR A 65 -6.749 17.158 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.600 18.266 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.210 17.646 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.869 15.941 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.515 16.385 -1.973 1.00 0.00 H new ATOM 920 N ASP A 66 -4.765 16.358 -1.062 1.00 0.00 N ATOM 921 CA ASP A 66 -3.340 16.520 -0.900 1.00 0.00 C ATOM 922 C ASP A 66 -2.651 15.165 -0.659 1.00 0.00 C ATOM 923 O ASP A 66 -1.659 14.827 -1.302 1.00 0.00 O ATOM 924 CB ASP A 66 -3.187 17.500 0.272 1.00 0.00 C ATOM 925 CG ASP A 66 -3.962 18.800 0.052 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.210 18.699 -0.074 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.299 19.854 0.000 1.00 0.00 O ATOM 0 H ASP A 66 -5.275 17.038 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.853 16.912 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.536 17.023 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.131 17.730 0.414 1.00 0.00 H new ATOM 931 N ALA A 67 -3.227 14.350 0.224 1.00 0.00 N ATOM 932 CA ALA A 67 -2.774 12.983 0.465 1.00 0.00 C ATOM 933 C ALA A 67 -2.971 12.086 -0.770 1.00 0.00 C ATOM 934 O ALA A 67 -2.033 11.437 -1.224 1.00 0.00 O ATOM 935 CB ALA A 67 -3.483 12.424 1.699 1.00 0.00 C ATOM 0 H ALA A 67 -4.027 14.623 0.796 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.701 12.998 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.146 11.403 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.249 13.043 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.560 12.426 1.532 1.00 0.00 H new ATOM 941 N ARG A 68 -4.170 12.055 -1.355 1.00 0.00 N ATOM 942 CA ARG A 68 -4.409 11.301 -2.592 1.00 0.00 C ATOM 943 C ARG A 68 -3.460 11.725 -3.730 1.00 0.00 C ATOM 944 O ARG A 68 -2.955 10.885 -4.476 1.00 0.00 O ATOM 945 CB ARG A 68 -5.891 11.435 -2.994 1.00 0.00 C ATOM 946 CG ARG A 68 -6.814 10.380 -2.357 1.00 0.00 C ATOM 947 CD ARG A 68 -7.219 10.684 -0.908 1.00 0.00 C ATOM 948 NE ARG A 68 -8.157 9.652 -0.413 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.472 9.793 -0.191 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.038 10.974 -0.004 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.263 8.740 -0.144 1.00 0.00 N ATOM 0 H ARG A 68 -4.991 12.542 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.189 10.250 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.244 12.427 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.970 11.363 -4.079 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.716 10.291 -2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.314 9.412 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.333 10.715 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.686 11.667 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.760 8.733 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.470 11.821 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.042 11.038 0.162 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.877 7.805 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.262 8.860 0.026 1.00 0.00 H new ATOM 962 N GLU A 69 -3.174 13.022 -3.830 1.00 0.00 N ATOM 963 CA GLU A 69 -2.184 13.584 -4.736 1.00 0.00 C ATOM 964 C GLU A 69 -0.784 13.083 -4.387 1.00 0.00 C ATOM 965 O GLU A 69 -0.025 12.671 -5.263 1.00 0.00 O ATOM 966 CB GLU A 69 -2.264 15.112 -4.665 1.00 0.00 C ATOM 967 CG GLU A 69 -3.419 15.656 -5.516 1.00 0.00 C ATOM 968 CD GLU A 69 -3.226 15.379 -6.999 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.095 15.569 -7.502 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.153 14.837 -7.643 1.00 0.00 O ATOM 0 H GLU A 69 -3.642 13.730 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.393 13.262 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.397 15.422 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.324 15.543 -5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.355 15.206 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.508 16.731 -5.358 1.00 0.00 H new ATOM 975 N LEU A 70 -0.455 13.074 -3.095 1.00 0.00 N ATOM 976 CA LEU A 70 0.790 12.500 -2.613 1.00 0.00 C ATOM 977 C LEU A 70 0.952 11.069 -3.102 1.00 0.00 C ATOM 978 O LEU A 70 1.996 10.716 -3.646 1.00 0.00 O ATOM 979 CB LEU A 70 0.919 12.520 -1.073 1.00 0.00 C ATOM 980 CG LEU A 70 2.299 12.038 -0.599 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.462 12.548 -1.432 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.589 12.432 0.848 1.00 0.00 C ATOM 0 H LEU A 70 -1.045 13.464 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 70 1.580 13.131 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.745 13.533 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.146 11.887 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 70 2.230 10.956 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.397 12.160 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.346 12.213 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.479 13.638 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.576 12.068 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.562 13.518 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.837 11.992 1.503 1.00 0.00 H new ATOM 993 N SER A 71 -0.071 10.218 -2.956 1.00 0.00 N ATOM 994 CA SER A 71 0.160 8.803 -3.121 1.00 0.00 C ATOM 995 C SER A 71 0.609 8.367 -4.514 1.00 0.00 C ATOM 996 O SER A 71 1.121 7.262 -4.684 1.00 0.00 O ATOM 997 CB SER A 71 -1.030 7.984 -2.615 1.00 0.00 C ATOM 998 OG SER A 71 -1.666 8.566 -1.495 1.00 0.00 O ATOM 0 H SER A 71 -1.030 10.484 -2.732 1.00 0.00 H new ATOM 0 HA SER A 71 1.025 8.588 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.756 7.873 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.689 6.983 -2.352 1.00 0.00 H new ATOM 0 HG SER A 71 -2.418 8.003 -1.216 1.00 0.00 H new ATOM 1003 N LYS A 72 0.499 9.259 -5.495 1.00 0.00 N ATOM 1004 CA LYS A 72 1.127 9.069 -6.802 1.00 0.00 C ATOM 1005 C LYS A 72 2.614 8.700 -6.643 1.00 0.00 C ATOM 1006 O LYS A 72 3.112 7.810 -7.326 1.00 0.00 O ATOM 1007 CB LYS A 72 0.965 10.339 -7.647 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.513 10.728 -7.727 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.715 11.986 -8.580 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.213 12.291 -8.697 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.459 13.661 -9.186 1.00 0.00 N ATOM 0 H LYS A 72 -0.025 10.130 -5.409 1.00 0.00 H new ATOM 0 HA LYS A 72 0.633 8.244 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.541 11.154 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.361 10.172 -8.649 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.085 9.903 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.900 10.901 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.195 12.831 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.285 11.839 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.677 11.575 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.687 12.162 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.427 13.950 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.780 14.314 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.344 13.687 -10.219 1.00 0.00 H new ATOM 1021 N THR A 73 3.297 9.342 -5.686 1.00 0.00 N ATOM 1022 CA THR A 73 4.705 9.050 -5.349 1.00 0.00 C ATOM 1023 C THR A 73 4.947 7.795 -4.510 1.00 0.00 C ATOM 1024 O THR A 73 6.096 7.435 -4.257 1.00 0.00 O ATOM 1025 CB THR A 73 5.400 10.240 -4.663 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.784 10.128 -4.913 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.242 10.267 -3.133 1.00 0.00 C ATOM 0 H THR A 73 2.889 10.084 -5.118 1.00 0.00 H new ATOM 0 HA THR A 73 5.144 8.858 -6.328 1.00 0.00 H new ATOM 0 HB THR A 73 4.939 11.142 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.044 9.183 -4.897 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.761 11.136 -2.729 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.184 10.325 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.669 9.359 -2.707 1.00 0.00 H new ATOM 1035 N PHE A 74 3.872 7.178 -4.037 1.00 0.00 N ATOM 1036 CA PHE A 74 3.853 6.061 -3.103 1.00 0.00 C ATOM 1037 C PHE A 74 3.392 4.779 -3.773 1.00 0.00 C ATOM 1038 O PHE A 74 3.626 3.687 -3.265 1.00 0.00 O ATOM 1039 CB PHE A 74 2.915 6.465 -1.985 1.00 0.00 C ATOM 1040 CG PHE A 74 3.469 7.459 -0.981 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.845 7.561 -0.673 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.551 8.232 -0.262 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.280 8.473 0.302 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.968 9.005 0.825 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.332 9.192 1.047 1.00 0.00 C ATOM 0 H PHE A 74 2.932 7.462 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 74 4.854 5.853 -2.724 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.014 6.890 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.613 5.566 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.561 6.938 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.510 8.231 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.335 8.620 0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.241 9.453 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.661 9.895 1.798 1.00 0.00 H new ATOM 1054 N ILE A 75 2.716 4.906 -4.905 1.00 0.00 N ATOM 1055 CA ILE A 75 2.293 3.770 -5.688 1.00 0.00 C ATOM 1056 C ILE A 75 3.458 3.133 -6.432 1.00 0.00 C ATOM 1057 O ILE A 75 4.422 3.790 -6.818 1.00 0.00 O ATOM 1058 CB ILE A 75 1.232 4.266 -6.679 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.083 4.253 -5.906 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.130 3.480 -7.997 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.224 4.648 -6.818 1.00 0.00 C ATOM 0 H ILE A 75 2.448 5.806 -5.302 1.00 0.00 H new ATOM 0 HA ILE A 75 1.886 3.002 -5.031 1.00 0.00 H new ATOM 0 HB ILE A 75 1.511 5.260 -7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.263 3.260 -5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.025 4.941 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.350 3.916 -8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.084 3.526 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.884 2.440 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.159 4.636 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.048 5.650 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.289 3.943 -7.646 1.00 0.00 H new ATOM 1072 N ILE A 76 3.290 1.839 -6.693 1.00 0.00 N ATOM 1073 CA ILE A 76 4.137 1.064 -7.590 1.00 0.00 C ATOM 1074 C ILE A 76 3.338 0.483 -8.775 1.00 0.00 C ATOM 1075 O ILE A 76 3.903 0.237 -9.838 1.00 0.00 O ATOM 1076 CB ILE A 76 4.921 0.021 -6.785 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.958 -0.907 -6.033 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.871 0.728 -5.804 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.739 -1.921 -5.182 1.00 0.00 C ATOM 0 H ILE A 76 2.541 1.288 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 76 4.872 1.720 -8.056 1.00 0.00 H new ATOM 0 HB ILE A 76 5.513 -0.587 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.301 -0.317 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.322 -1.434 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.426 -0.017 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.569 1.353 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.292 1.350 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.039 -2.570 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.377 -2.523 -5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.355 -1.389 -4.457 1.00 0.00 H new ATOM 1090 N GLY A 77 2.016 0.302 -8.630 1.00 0.00 N ATOM 1091 CA GLY A 77 1.119 -0.024 -9.738 1.00 0.00 C ATOM 1092 C GLY A 77 -0.190 -0.636 -9.244 1.00 0.00 C ATOM 1093 O GLY A 77 -0.832 -0.005 -8.418 1.00 0.00 O ATOM 0 H GLY A 77 1.540 0.380 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.905 0.878 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.614 -0.721 -10.414 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.578 -1.835 -9.705 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.770 -2.568 -9.247 1.00 0.00 C ATOM 1099 C GLU A 78 -1.403 -3.836 -8.472 1.00 0.00 C ATOM 1100 O GLU A 78 -0.287 -4.350 -8.541 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.636 -3.016 -10.444 1.00 0.00 C ATOM 1102 CG GLU A 78 -4.023 -2.369 -10.576 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.034 -0.935 -11.055 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -3.104 -0.508 -11.775 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.009 -0.232 -10.712 1.00 0.00 O ATOM 0 H GLU A 78 -0.058 -2.335 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.313 -1.878 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.079 -2.816 -11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.769 -4.096 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.619 -2.968 -11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.518 -2.413 -9.606 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.442 -4.423 -7.881 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.423 -5.743 -7.246 1.00 0.00 C ATOM 1112 C LEU A 79 -2.507 -6.922 -8.188 1.00 0.00 C ATOM 1113 O LEU A 79 -2.715 -8.035 -7.732 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.484 -5.789 -6.136 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.797 -6.536 -6.468 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.897 -7.721 -5.516 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.991 -5.612 -6.289 1.00 0.00 C ATOM 0 H LEU A 79 -3.357 -3.976 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.431 -5.862 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.039 -6.256 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.734 -4.765 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.795 -6.875 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.813 -8.275 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.038 -8.376 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.912 -7.361 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.908 -6.152 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.031 -5.265 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.891 -4.756 -6.956 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.352 -6.663 -9.484 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.497 -7.612 -10.570 1.00 0.00 C ATOM 1130 C HIS A 80 -3.953 -7.944 -10.853 1.00 0.00 C ATOM 1131 O HIS A 80 -4.810 -7.927 -9.961 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.642 -8.846 -10.304 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.371 -9.792 -11.428 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.788 -11.084 -11.601 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.467 -9.524 -12.406 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.258 -11.518 -12.760 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.431 -10.602 -13.287 1.00 0.00 N ATOM 0 H HIS A 80 -2.108 -5.730 -9.817 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.128 -7.149 -11.485 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.680 -8.504 -9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.120 -9.412 -9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.125 -8.625 -12.487 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.471 -12.478 -13.207 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.109 -10.679 -14.149 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.271 -8.187 -12.125 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.558 -8.716 -12.485 1.00 0.00 C ATOM 1146 C PRO A 81 -5.723 -10.198 -12.220 1.00 0.00 C ATOM 1147 O PRO A 81 -6.846 -10.673 -12.361 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.696 -8.451 -13.965 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.265 -8.432 -14.489 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.507 -7.830 -13.317 1.00 0.00 C ATOM 0 HA PRO A 81 -6.323 -8.237 -11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.286 -9.227 -14.453 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.199 -7.502 -14.152 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.908 -9.432 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.169 -7.827 -15.391 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.492 -8.224 -13.264 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.424 -6.748 -13.419 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.669 -10.903 -11.804 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.899 -12.321 -11.446 1.00 0.00 C ATOM 1157 C ASP A 82 -5.084 -12.476 -9.938 1.00 0.00 C ATOM 1158 O ASP A 82 -4.648 -13.448 -9.326 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.881 -13.265 -12.110 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.371 -14.702 -12.258 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.560 -14.881 -12.593 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.516 -15.598 -12.095 1.00 0.00 O ATOM 0 H ASP A 82 -3.714 -10.559 -11.708 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.846 -12.652 -11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.629 -12.875 -13.096 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.963 -13.264 -11.522 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.715 -11.452 -9.353 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.795 -11.278 -7.930 1.00 0.00 C ATOM 1168 C ASP A 83 -7.048 -10.433 -7.612 1.00 0.00 C ATOM 1169 O ASP A 83 -8.005 -10.930 -7.020 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.450 -10.622 -7.601 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.895 -11.103 -6.285 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.685 -11.176 -5.323 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.680 -11.409 -6.276 1.00 0.00 O ATOM 0 H ASP A 83 -6.187 -10.717 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.924 -12.178 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.737 -10.839 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.573 -9.539 -7.569 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.073 -9.204 -8.151 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.206 -8.264 -8.143 1.00 0.00 C ATOM 1179 C ARG A 84 -8.969 -8.108 -6.808 1.00 0.00 C ATOM 1180 O ARG A 84 -8.302 -8.042 -5.753 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.166 -8.586 -9.300 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.645 -8.444 -10.716 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.361 -6.974 -11.092 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.079 -6.538 -10.517 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.616 -5.312 -10.285 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.296 -4.229 -10.636 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.434 -5.201 -9.701 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.208 -7.937 -6.877 1.00 0.00 O ATOM 0 H ARG A 84 -6.259 -8.818 -8.630 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.749 -7.284 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.511 -9.612 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.039 -7.941 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.731 -9.027 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.373 -8.860 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.336 -6.867 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.166 -6.336 -10.728 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.446 -7.294 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.201 -4.322 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.914 -3.303 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.911 -6.038 -9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.046 -4.278 -9.507 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.573 8.443 6.468 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.353 11.083 8.605 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.135 10.758 4.263 1.00 0.00 C HETATM 1203 CHC HEM A 201 -2.341 5.987 4.057 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.063 6.240 8.685 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.179 10.506 6.498 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.627 11.362 7.455 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.332 12.704 7.017 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.578 12.606 5.873 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.584 11.217 5.491 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.007 13.757 5.079 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.033 13.939 7.524 1.00 0.00 C HETATM 1212 CBA HEM A 201 -4.468 14.023 7.021 1.00 0.00 C HETATM 1213 CGA HEM A 201 -4.566 14.225 5.509 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.000 15.227 5.029 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.214 13.389 4.840 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.798 8.368 4.557 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.287 9.440 3.849 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.989 8.987 2.512 1.00 0.00 C HETATM 1219 C3B HEM A 201 -1.343 7.662 2.474 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.849 7.258 3.759 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.542 9.845 1.353 1.00 0.00 C HETATM 1222 CAB HEM A 201 -1.325 6.789 1.243 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.132 6.417 0.755 1.00 0.00 C HETATM 1224 NC HEM A 201 -3.040 6.460 6.404 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.888 5.654 5.297 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.473 4.374 5.613 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.860 4.449 6.928 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.642 5.778 7.426 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.659 3.196 4.683 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.786 3.473 7.601 1.00 0.00 C HETATM 1231 CBC HEM A 201 -4.287 2.495 8.381 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.493 8.623 8.356 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.013 7.585 9.067 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.583 8.135 10.281 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.373 9.499 10.251 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.697 9.795 9.012 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.380 7.385 11.323 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.763 10.550 11.275 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.002 10.116 12.721 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.169 11.300 13.670 1.00 0.00 C HETATM 1241 O1D HEM A 201 -5.167 12.447 13.173 1.00 0.00 O HETATM 1242 O2D HEM A 201 -5.304 11.028 14.881 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.170 13.404 4.477 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -0.661 14.533 5.761 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -1.777 14.166 4.425 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.090 9.257 0.687 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.022 10.699 1.729 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -1.415 10.200 0.805 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.796 3.556 3.663 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -4.537 2.627 4.988 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.778 2.555 4.727 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.918 6.565 10.848 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.093 8.063 11.793 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.705 6.986 12.080 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.079 5.787 -0.133 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 0.784 6.745 1.246 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.960 1.789 8.868 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -3.210 2.409 8.526 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -4.975 14.846 7.525 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -4.996 13.109 7.294 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -2.484 14.825 7.205 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.030 13.937 8.614 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -4.165 9.503 13.055 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -5.894 9.491 12.766 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.673 11.034 10.921 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -3.981 11.309 11.283 1.00 0.00 H new HETATM 0 HHA HEM A 201 -3.670 11.912 9.220 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.646 11.455 3.599 1.00 0.00 H new HETATM 0 HHC HEM A 201 -2.297 5.225 3.293 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.445 5.520 9.394 1.00 0.00 H new HETATM 0 HAB HEM A 201 -2.252 6.471 0.766 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.863 3.558 7.457 1.00 0.00 H new