USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 659 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 49 GLN : amide:sc= 1.46 K(o=0.16,f=-5) USER MOD Set 1.2: A 57 ASN : amide:sc= -2.5! C(o=0.16!,f=-3.7!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.26 K(o=0.16,f=-5.5!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.0537 (180deg=-0.308) USER MOD Set 2.1: A 17 ASN : amide:sc= 1.31 K(o=1.9,f=-4.7!) USER MOD Set 2.2: A 18 SER OG : rot 76:sc= 0.582 USER MOD Set 3.1: A 15 HIS : no HE2:sc= -0.337 K(o=1.4,f=-8.4!) USER MOD Set 3.2: A 20 SER OG : rot 58:sc= 1.69 USER MOD Set 4.1: A 13 GLN : amide:sc= -0.615 K(o=0.76,f=-12!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ -178:sc= 1.37 (180deg=0.685) 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 139:sc= 1.13 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 16 ASN : amide:sc= -0.461 K(o=-0.46,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -80:sc= -0.0149 USER MOD Single : A 26 HIS : no HD1:sc= -0.0563 K(o=-0.056,f=-0.65) USER MOD Single : A 27 TYR OH : rot -46:sc= 1.31 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0.789 (180deg=0.789) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -94:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0.937 (180deg=-1.21!) USER MOD Single : A 55 THR OG1 : rot 95:sc= 1.95 USER MOD Single : A 64 SER OG : rot 70:sc= 0.679 USER MOD Single : A 65 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 71 SER OG : rot -172:sc= -0.132 USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0.772 (180deg=-2.74!) USER MOD Single : A 73 THR OG1 : rot -34:sc= 0.217 USER MOD Single : A 80 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.76) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.543 (180deg=-2.6!) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.464 (180deg=-4.89!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.597 (180deg=-0.597) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -4.459 20.886 1.252 1.00 10.00 N ATOM 2 CA ALA A 3 -5.245 20.125 2.237 1.00 10.00 C ATOM 3 C ALA A 3 -4.826 18.665 2.094 1.00 10.00 C ATOM 4 O ALA A 3 -3.761 18.434 1.524 1.00 10.00 O ATOM 5 CB ALA A 3 -6.749 20.343 2.018 1.00 10.00 C ATOM 0 HA ALA A 3 -5.053 20.460 3.256 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.311 19.771 2.757 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -6.982 21.402 2.125 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.023 20.010 1.017 1.00 10.00 H new ATOM 13 N VAL A 4 -5.649 17.715 2.546 1.00 10.00 N ATOM 14 CA VAL A 4 -5.574 16.329 2.092 1.00 10.00 C ATOM 15 C VAL A 4 -5.854 16.263 0.583 1.00 10.00 C ATOM 16 O VAL A 4 -6.082 17.299 -0.046 1.00 10.00 O ATOM 17 CB VAL A 4 -6.569 15.464 2.884 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.101 15.284 4.330 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.003 16.005 2.808 1.00 10.00 C ATOM 0 H VAL A 4 -6.382 17.887 3.234 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.572 15.938 2.270 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.592 14.480 2.415 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.820 14.669 4.871 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.127 14.796 4.339 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.023 16.259 4.811 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.666 15.359 3.383 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.033 17.014 3.219 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.329 16.026 1.768 1.00 10.00 H new ATOM 29 N LYS A 5 -5.858 15.059 0.003 1.00 10.00 N ATOM 30 CA LYS A 5 -6.089 14.875 -1.422 1.00 10.00 C ATOM 31 C LYS A 5 -7.344 14.033 -1.581 1.00 10.00 C ATOM 32 O LYS A 5 -8.275 14.412 -2.289 1.00 10.00 O ATOM 33 CB LYS A 5 -4.849 14.208 -2.043 1.00 10.00 C ATOM 34 CG LYS A 5 -5.051 13.661 -3.465 1.00 10.00 C ATOM 35 CD LYS A 5 -5.590 14.707 -4.450 1.00 10.00 C ATOM 36 CE LYS A 5 -5.785 14.059 -5.827 1.00 10.00 C ATOM 37 NZ LYS A 5 -6.385 14.986 -6.807 1.00 10.00 N ATOM 0 H LYS A 5 -5.701 14.189 0.512 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.241 15.822 -1.940 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -4.035 14.933 -2.061 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -4.533 13.390 -1.396 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.101 13.278 -3.837 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -5.742 12.818 -3.427 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -6.536 15.109 -4.088 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.895 15.544 -4.525 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -4.822 13.712 -6.202 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -6.422 13.181 -5.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -6.496 14.501 -7.720 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -7.316 15.298 -6.465 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -5.766 15.813 -6.927 1.00 10.00 H new ATOM 51 N TYR A 6 -7.327 12.888 -0.908 1.00 10.00 N ATOM 52 CA TYR A 6 -8.251 11.794 -1.038 1.00 10.00 C ATOM 53 C TYR A 6 -8.347 11.218 -2.442 1.00 10.00 C ATOM 54 O TYR A 6 -8.091 11.838 -3.472 1.00 10.00 O ATOM 55 CB TYR A 6 -9.627 12.077 -0.428 1.00 10.00 C ATOM 56 CG TYR A 6 -9.733 11.979 1.079 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.202 12.969 1.919 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.104 10.748 1.635 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.114 12.734 3.307 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.069 10.538 3.019 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.615 11.553 3.866 1.00 10.00 C ATOM 62 OH TYR A 6 -9.414 11.295 5.189 1.00 10.00 O ATOM 0 H TYR A 6 -6.609 12.698 -0.208 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.807 11.004 -0.432 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.932 13.080 -0.727 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.343 11.382 -0.866 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.862 13.907 1.505 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.423 9.947 0.985 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -8.655 13.474 3.946 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.392 9.594 3.431 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.825 10.436 5.421 1.00 10.00 H new ATOM 72 N TYR A 7 -8.666 9.936 -2.393 1.00 10.00 N ATOM 73 CA TYR A 7 -8.569 8.951 -3.424 1.00 10.00 C ATOM 74 C TYR A 7 -9.700 7.962 -3.166 1.00 10.00 C ATOM 75 O TYR A 7 -9.893 7.475 -2.054 1.00 10.00 O ATOM 76 CB TYR A 7 -7.209 8.298 -3.208 1.00 10.00 C ATOM 77 CG TYR A 7 -6.004 8.838 -3.964 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.089 9.865 -4.930 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.737 8.399 -3.551 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.928 10.555 -5.323 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.593 9.125 -3.904 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.700 10.257 -4.719 1.00 10.00 C ATOM 83 OH TYR A 7 -2.679 11.156 -4.765 1.00 10.00 O ATOM 0 H TYR A 7 -9.037 9.531 -1.534 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.650 9.333 -4.441 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.982 8.354 -2.143 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.308 7.242 -3.457 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.044 10.120 -5.366 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.644 7.500 -2.960 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.983 11.314 -6.090 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.624 8.810 -3.546 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.231 11.187 -3.894 1.00 10.00 H new ATOM 93 N THR A 8 -10.496 7.718 -4.192 1.00 10.00 N ATOM 94 CA THR A 8 -11.702 6.923 -4.090 1.00 10.00 C ATOM 95 C THR A 8 -11.340 5.449 -4.181 1.00 10.00 C ATOM 96 O THR A 8 -10.342 5.099 -4.805 1.00 10.00 O ATOM 97 CB THR A 8 -12.647 7.356 -5.214 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.912 7.442 -6.420 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.219 8.734 -4.878 1.00 10.00 C ATOM 0 H THR A 8 -10.318 8.073 -5.132 1.00 10.00 H new ATOM 0 HA THR A 8 -12.204 7.075 -3.134 1.00 10.00 H new ATOM 0 HB THR A 8 -13.457 6.635 -5.322 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.508 7.717 -7.148 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.894 9.052 -5.673 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.766 8.681 -3.937 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.405 9.453 -4.784 1.00 10.00 H new ATOM 107 N LEU A 9 -12.154 4.570 -3.591 1.00 10.00 N ATOM 108 CA LEU A 9 -11.987 3.135 -3.782 1.00 10.00 C ATOM 109 C LEU A 9 -11.930 2.807 -5.270 1.00 10.00 C ATOM 110 O LEU A 9 -11.059 2.054 -5.689 1.00 10.00 O ATOM 111 CB LEU A 9 -13.034 2.367 -2.976 1.00 10.00 C ATOM 112 CG LEU A 9 -13.276 0.902 -3.389 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.739 0.100 -2.167 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.354 0.769 -4.474 1.00 10.00 C ATOM 0 H LEU A 9 -12.930 4.829 -2.981 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.030 2.800 -3.383 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.737 2.382 -1.927 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.981 2.903 -3.047 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.335 0.523 -3.787 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.911 -0.937 -2.456 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.971 0.139 -1.394 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.664 0.527 -1.781 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.486 -0.283 -4.729 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.296 1.173 -4.103 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.047 1.322 -5.362 1.00 10.00 H new ATOM 126 N GLU A 10 -12.790 3.453 -6.065 1.00 10.00 N ATOM 127 CA GLU A 10 -12.736 3.438 -7.520 1.00 10.00 C ATOM 128 C GLU A 10 -11.296 3.497 -8.023 1.00 10.00 C ATOM 129 O GLU A 10 -10.840 2.590 -8.714 1.00 10.00 O ATOM 130 CB GLU A 10 -13.529 4.633 -8.050 1.00 10.00 C ATOM 131 CG GLU A 10 -13.485 4.738 -9.579 1.00 10.00 C ATOM 132 CD GLU A 10 -14.462 5.790 -10.082 1.00 10.00 C ATOM 133 OE1 GLU A 10 -14.596 6.816 -9.379 1.00 10.00 O ATOM 134 OE2 GLU A 10 -15.057 5.541 -11.152 1.00 10.00 O ATOM 0 H GLU A 10 -13.560 4.013 -5.699 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.171 2.506 -7.882 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.566 4.549 -7.725 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.132 5.550 -7.615 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -12.475 4.991 -9.901 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.727 3.771 -10.021 1.00 10.00 H new ATOM 141 N GLU A 11 -10.586 4.569 -7.689 1.00 10.00 N ATOM 142 CA GLU A 11 -9.200 4.728 -8.098 1.00 10.00 C ATOM 143 C GLU A 11 -8.343 3.641 -7.466 1.00 10.00 C ATOM 144 O GLU A 11 -7.548 2.978 -8.132 1.00 10.00 O ATOM 145 CB GLU A 11 -8.677 6.089 -7.618 1.00 10.00 C ATOM 146 CG GLU A 11 -9.181 7.263 -8.465 1.00 10.00 C ATOM 147 CD GLU A 11 -8.376 7.436 -9.747 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.565 6.602 -10.659 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.585 8.403 -9.786 1.00 10.00 O ATOM 0 H GLU A 11 -10.952 5.342 -7.134 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.147 4.660 -9.185 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.978 6.242 -6.582 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.587 6.079 -7.635 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.230 7.104 -8.715 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.129 8.180 -7.879 1.00 10.00 H new ATOM 156 N ILE A 12 -8.478 3.489 -6.151 1.00 10.00 N ATOM 157 CA ILE A 12 -7.581 2.663 -5.376 1.00 10.00 C ATOM 158 C ILE A 12 -7.529 1.251 -5.958 1.00 10.00 C ATOM 159 O ILE A 12 -6.435 0.743 -6.186 1.00 10.00 O ATOM 160 CB ILE A 12 -7.960 2.701 -3.880 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.711 4.082 -3.243 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.204 1.636 -3.082 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.566 4.338 -1.998 1.00 10.00 C ATOM 0 H ILE A 12 -9.212 3.937 -5.602 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.568 3.062 -5.439 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.029 2.493 -3.839 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.658 4.166 -2.976 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.916 4.857 -3.981 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.496 1.692 -2.033 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.446 0.648 -3.474 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.131 1.809 -3.170 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.341 5.327 -1.599 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.622 4.285 -2.264 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.344 3.584 -1.243 1.00 10.00 H new ATOM 175 N GLN A 13 -8.693 0.659 -6.266 1.00 10.00 N ATOM 176 CA GLN A 13 -8.805 -0.657 -6.905 1.00 10.00 C ATOM 177 C GLN A 13 -7.816 -0.775 -8.063 1.00 10.00 C ATOM 178 O GLN A 13 -7.176 -1.794 -8.310 1.00 10.00 O ATOM 179 CB GLN A 13 -10.166 -0.781 -7.615 1.00 10.00 C ATOM 180 CG GLN A 13 -11.453 -1.021 -6.827 1.00 10.00 C ATOM 181 CD GLN A 13 -12.660 -0.889 -7.761 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.434 -0.686 -8.982 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.793 -0.976 -7.249 1.00 10.00 N ATOM 0 H GLN A 13 -9.597 1.090 -6.074 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.645 -1.397 -6.121 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.310 0.135 -8.188 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.077 -1.596 -8.334 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.436 -2.013 -6.377 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.531 -0.302 -6.011 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.889 -1.142 -6.247 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.625 -0.881 -7.832 1.00 10.00 H new ATOM 190 N LYS A 14 -7.854 0.289 -8.853 1.00 10.00 N ATOM 191 CA LYS A 14 -7.452 0.384 -10.229 1.00 10.00 C ATOM 192 C LYS A 14 -5.927 0.488 -10.252 1.00 10.00 C ATOM 193 O LYS A 14 -5.247 -0.164 -11.046 1.00 10.00 O ATOM 194 CB LYS A 14 -8.202 1.627 -10.741 1.00 10.00 C ATOM 195 CG LYS A 14 -8.687 1.599 -12.187 1.00 10.00 C ATOM 196 CD LYS A 14 -9.857 0.616 -12.429 1.00 10.00 C ATOM 197 CE LYS A 14 -11.270 1.148 -12.099 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.663 1.069 -10.673 1.00 10.00 N ATOM 0 H LYS A 14 -8.200 1.183 -8.505 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.694 -0.465 -10.869 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.066 1.790 -10.097 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.548 2.490 -10.620 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.001 2.602 -12.476 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.854 1.326 -12.835 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.840 0.313 -13.476 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.680 -0.281 -11.835 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.331 2.189 -12.418 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.997 0.590 -12.690 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.636 1.418 -10.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.610 0.081 -10.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.019 1.653 -10.102 1.00 10.00 H new ATOM 212 N HIS A 15 -5.384 1.265 -9.315 1.00 10.00 N ATOM 213 CA HIS A 15 -3.961 1.298 -9.039 1.00 10.00 C ATOM 214 C HIS A 15 -3.523 0.019 -8.311 1.00 10.00 C ATOM 215 O HIS A 15 -3.283 0.024 -7.107 1.00 10.00 O ATOM 216 CB HIS A 15 -3.643 2.539 -8.209 1.00 10.00 C ATOM 217 CG HIS A 15 -3.686 3.835 -8.975 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.629 4.700 -9.118 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.757 4.382 -9.629 1.00 10.00 C ATOM 220 CE1 HIS A 15 -3.044 5.734 -9.866 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.330 5.580 -10.210 1.00 10.00 N ATOM 0 H HIS A 15 -5.930 1.892 -8.725 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.408 1.346 -9.977 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.351 2.598 -7.382 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.651 2.423 -7.772 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.695 4.578 -8.726 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.751 3.964 -9.686 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.427 6.574 -10.151 1.00 10.00 H new ATOM 229 N ASN A 16 -3.365 -1.076 -9.052 1.00 10.00 N ATOM 230 CA ASN A 16 -2.774 -2.318 -8.540 1.00 10.00 C ATOM 231 C ASN A 16 -1.805 -2.939 -9.550 1.00 10.00 C ATOM 232 O ASN A 16 -1.612 -4.160 -9.576 1.00 10.00 O ATOM 233 CB ASN A 16 -3.875 -3.299 -8.102 1.00 10.00 C ATOM 234 CG ASN A 16 -4.577 -4.041 -9.243 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.413 -3.737 -10.425 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.356 -5.059 -8.893 1.00 10.00 N ATOM 0 H ASN A 16 -3.644 -1.130 -10.032 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.182 -2.078 -7.657 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.437 -4.034 -7.427 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.624 -2.749 -7.532 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.833 -5.606 -9.610 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.477 -5.293 -7.908 1.00 10.00 H new ATOM 243 N ASN A 17 -1.232 -2.121 -10.440 1.00 10.00 N ATOM 244 CA ASN A 17 -0.753 -2.636 -11.704 1.00 10.00 C ATOM 245 C ASN A 17 0.437 -1.847 -12.232 1.00 10.00 C ATOM 246 O ASN A 17 1.057 -1.059 -11.516 1.00 10.00 O ATOM 247 CB ASN A 17 -1.932 -2.668 -12.694 1.00 10.00 C ATOM 248 CG ASN A 17 -1.892 -3.936 -13.536 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.043 -4.066 -14.418 1.00 10.00 O ATOM 250 ND2 ASN A 17 -2.767 -4.893 -13.236 1.00 10.00 N ATOM 0 H ASN A 17 -1.095 -1.120 -10.302 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.379 -3.650 -11.566 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.874 -2.618 -12.148 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -1.893 -1.793 -13.343 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.751 -5.777 -13.745 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -3.454 -4.743 -12.497 1.00 10.00 H new ATOM 257 N SER A 18 0.723 -2.080 -13.512 1.00 10.00 N ATOM 258 CA SER A 18 1.877 -1.647 -14.286 1.00 10.00 C ATOM 259 C SER A 18 1.695 -0.172 -14.629 1.00 10.00 C ATOM 260 O SER A 18 1.546 0.212 -15.788 1.00 10.00 O ATOM 261 CB SER A 18 1.961 -2.534 -15.538 1.00 10.00 C ATOM 262 OG SER A 18 1.721 -3.892 -15.202 1.00 10.00 O ATOM 0 H SER A 18 0.086 -2.632 -14.087 1.00 10.00 H new ATOM 0 HA SER A 18 2.811 -1.748 -13.733 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.231 -2.201 -16.276 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.945 -2.435 -15.996 1.00 10.00 H new ATOM 0 HG SER A 18 0.762 -4.027 -15.049 1.00 10.00 H new ATOM 268 N LYS A 19 1.572 0.615 -13.567 1.00 10.00 N ATOM 269 CA LYS A 19 0.842 1.864 -13.499 1.00 10.00 C ATOM 270 C LYS A 19 1.217 2.522 -12.176 1.00 10.00 C ATOM 271 O LYS A 19 1.670 3.662 -12.156 1.00 10.00 O ATOM 272 CB LYS A 19 -0.679 1.590 -13.493 1.00 10.00 C ATOM 273 CG LYS A 19 -1.308 1.070 -14.792 1.00 10.00 C ATOM 274 CD LYS A 19 -1.088 2.037 -15.965 1.00 10.00 C ATOM 275 CE LYS A 19 -1.794 1.526 -17.228 1.00 10.00 C ATOM 276 NZ LYS A 19 -1.556 2.412 -18.386 1.00 10.00 N ATOM 0 H LYS A 19 2.009 0.378 -12.676 1.00 10.00 H new ATOM 0 HA LYS A 19 1.085 2.495 -14.354 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.888 0.867 -12.705 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -1.187 2.515 -13.220 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -0.880 0.098 -15.038 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.377 0.919 -14.642 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -1.468 3.025 -15.705 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -0.021 2.146 -16.158 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -1.441 0.521 -17.460 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -2.865 1.452 -17.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -2.049 2.033 -19.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -1.916 3.365 -18.174 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -0.536 2.463 -18.581 1.00 10.00 H new ATOM 290 N SER A 20 0.984 1.794 -11.078 1.00 10.00 N ATOM 291 CA SER A 20 0.995 2.262 -9.708 1.00 10.00 C ATOM 292 C SER A 20 0.294 1.169 -8.894 1.00 10.00 C ATOM 293 O SER A 20 -0.656 0.560 -9.396 1.00 10.00 O ATOM 294 CB SER A 20 0.338 3.645 -9.606 1.00 10.00 C ATOM 295 OG SER A 20 -0.049 3.971 -8.289 1.00 10.00 O ATOM 0 H SER A 20 0.770 0.799 -11.139 1.00 10.00 H new ATOM 0 HA SER A 20 2.000 2.414 -9.316 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.033 4.400 -9.973 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.537 3.675 -10.255 1.00 10.00 H new ATOM 0 HG SER A 20 0.734 3.937 -7.700 1.00 10.00 H new ATOM 301 N THR A 21 0.812 0.860 -7.699 1.00 10.00 N ATOM 302 CA THR A 21 0.225 -0.126 -6.794 1.00 10.00 C ATOM 303 C THR A 21 -0.094 0.523 -5.441 1.00 10.00 C ATOM 304 O THR A 21 0.823 0.807 -4.668 1.00 10.00 O ATOM 305 CB THR A 21 1.165 -1.331 -6.686 1.00 10.00 C ATOM 306 OG1 THR A 21 1.281 -1.918 -7.969 1.00 10.00 O ATOM 307 CG2 THR A 21 0.614 -2.401 -5.745 1.00 10.00 C ATOM 0 H THR A 21 1.659 1.294 -7.333 1.00 10.00 H new ATOM 0 HA THR A 21 -0.724 -0.492 -7.186 1.00 10.00 H new ATOM 0 HB THR A 21 2.121 -0.979 -6.299 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.499 -2.482 -8.143 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.311 -3.238 -5.697 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.486 -1.978 -4.749 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.349 -2.752 -6.117 1.00 10.00 H new ATOM 315 N TRP A 22 -1.394 0.735 -5.186 1.00 10.00 N ATOM 316 CA TRP A 22 -1.992 1.476 -4.079 1.00 10.00 C ATOM 317 C TRP A 22 -2.572 0.501 -3.058 1.00 10.00 C ATOM 318 O TRP A 22 -3.116 -0.525 -3.446 1.00 10.00 O ATOM 319 CB TRP A 22 -3.128 2.362 -4.618 1.00 10.00 C ATOM 320 CG TRP A 22 -2.716 3.686 -5.197 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.475 3.992 -5.625 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.532 4.851 -5.531 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.478 5.219 -6.249 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.733 5.788 -6.248 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.870 5.213 -5.303 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.259 6.972 -6.787 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.429 6.362 -5.887 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.635 7.222 -6.661 1.00 10.00 C ATOM 0 H TRP A 22 -2.110 0.357 -5.806 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.227 2.091 -3.605 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.664 1.804 -5.386 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.833 2.546 -3.808 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.605 3.365 -5.497 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.653 5.654 -6.661 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.483 4.594 -4.664 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.616 7.679 -7.290 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.475 6.585 -5.739 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -5.080 8.072 -7.157 1.00 10.00 H new ATOM 339 N LEU A 23 -2.497 0.806 -1.762 1.00 10.00 N ATOM 340 CA LEU A 23 -3.112 0.005 -0.707 1.00 10.00 C ATOM 341 C LEU A 23 -3.570 0.948 0.401 1.00 10.00 C ATOM 342 O LEU A 23 -3.023 2.047 0.520 1.00 10.00 O ATOM 343 CB LEU A 23 -2.175 -1.092 -0.150 1.00 10.00 C ATOM 344 CG LEU A 23 -0.813 -1.260 -0.846 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.168 -0.266 -0.248 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.234 -2.665 -0.675 1.00 10.00 C ATOM 0 H LEU A 23 -2.001 1.626 -1.413 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.961 -0.529 -1.133 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.994 -0.881 0.904 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.701 -2.045 -0.199 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.968 -1.087 -1.911 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.138 -0.375 -0.733 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.202 0.748 -0.401 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.273 -0.456 0.820 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.727 -2.727 -1.186 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.095 -2.875 0.386 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.920 -3.396 -1.103 1.00 10.00 H new ATOM 358 N ILE A 24 -4.562 0.529 1.194 1.00 10.00 N ATOM 359 CA ILE A 24 -5.084 1.315 2.310 1.00 10.00 C ATOM 360 C ILE A 24 -4.589 0.727 3.627 1.00 10.00 C ATOM 361 O ILE A 24 -4.799 -0.454 3.883 1.00 10.00 O ATOM 362 CB ILE A 24 -6.627 1.401 2.282 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.195 1.485 0.854 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.077 2.598 3.127 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.725 1.534 0.829 1.00 10.00 C ATOM 0 H ILE A 24 -5.026 -0.372 1.076 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.712 2.335 2.214 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.024 0.479 2.706 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.799 2.373 0.361 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.854 0.623 0.280 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.165 2.665 3.112 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.735 2.467 4.154 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.651 3.514 2.717 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.070 1.593 -0.203 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -9.126 0.634 1.295 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.070 2.411 1.377 1.00 10.00 H new ATOM 377 N LEU A 25 -3.923 1.554 4.439 1.00 10.00 N ATOM 378 CA LEU A 25 -3.397 1.198 5.751 1.00 10.00 C ATOM 379 C LEU A 25 -3.934 2.260 6.716 1.00 10.00 C ATOM 380 O LEU A 25 -3.481 3.400 6.693 1.00 10.00 O ATOM 381 CB LEU A 25 -1.857 1.197 5.729 1.00 10.00 C ATOM 382 CG LEU A 25 -1.149 -0.113 5.344 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.587 -0.646 3.983 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.376 0.086 5.314 1.00 10.00 C ATOM 0 H LEU A 25 -3.731 2.524 4.187 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.705 0.198 6.055 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.531 1.971 5.035 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.507 1.489 6.719 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.430 -0.841 6.105 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.054 -1.571 3.766 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.660 -0.840 3.996 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.361 0.092 3.213 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.860 -0.851 5.040 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.629 0.853 4.581 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.722 0.398 6.300 1.00 10.00 H new ATOM 396 N HIS A 26 -4.920 1.920 7.550 1.00 10.00 N ATOM 397 CA HIS A 26 -5.515 2.844 8.511 1.00 10.00 C ATOM 398 C HIS A 26 -6.180 4.021 7.784 1.00 10.00 C ATOM 399 O HIS A 26 -5.994 5.176 8.162 1.00 10.00 O ATOM 400 CB HIS A 26 -4.477 3.328 9.548 1.00 10.00 C ATOM 401 CG HIS A 26 -3.484 2.291 10.018 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.682 1.339 10.993 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.192 2.168 9.578 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.535 0.646 11.118 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.599 1.114 10.276 1.00 10.00 N ATOM 0 H HIS A 26 -5.330 0.986 7.575 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.288 2.309 9.062 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.925 4.164 9.118 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.011 3.712 10.417 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.716 2.778 8.825 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.387 -0.176 11.803 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.645 0.768 10.168 1.00 10.00 H new ATOM 413 N TYR A 27 -6.923 3.740 6.707 1.00 10.00 N ATOM 414 CA TYR A 27 -7.657 4.719 5.898 1.00 10.00 C ATOM 415 C TYR A 27 -6.773 5.709 5.118 1.00 10.00 C ATOM 416 O TYR A 27 -7.208 6.223 4.086 1.00 10.00 O ATOM 417 CB TYR A 27 -8.758 5.417 6.715 1.00 10.00 C ATOM 418 CG TYR A 27 -9.827 4.528 7.344 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.186 3.285 6.778 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.596 5.042 8.406 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.349 2.621 7.205 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.735 4.354 8.860 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.134 3.162 8.233 1.00 10.00 C ATOM 424 OH TYR A 27 -13.295 2.559 8.608 1.00 10.00 O ATOM 0 H TYR A 27 -7.033 2.787 6.362 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.144 4.136 5.116 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.279 5.985 7.512 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.256 6.137 6.066 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.564 2.843 6.014 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.309 5.971 8.875 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.639 1.691 6.739 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.304 4.742 9.692 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.811 2.319 7.810 1.00 10.00 H new ATOM 434 N LYS A 28 -5.534 5.965 5.543 1.00 10.00 N ATOM 435 CA LYS A 28 -4.540 6.554 4.657 1.00 10.00 C ATOM 436 C LYS A 28 -4.257 5.590 3.491 1.00 10.00 C ATOM 437 O LYS A 28 -4.444 4.378 3.624 1.00 10.00 O ATOM 438 CB LYS A 28 -3.264 6.890 5.449 1.00 10.00 C ATOM 439 CG LYS A 28 -3.314 8.199 6.247 1.00 10.00 C ATOM 440 CD LYS A 28 -3.577 9.391 5.320 1.00 10.00 C ATOM 441 CE LYS A 28 -2.997 10.723 5.821 1.00 10.00 C ATOM 442 NZ LYS A 28 -2.885 11.725 4.734 1.00 10.00 N ATOM 0 H LYS A 28 -5.201 5.774 6.488 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.919 7.486 4.238 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.058 6.071 6.138 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.427 6.940 4.753 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.098 8.140 7.002 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.372 8.344 6.776 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.157 9.172 4.338 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.653 9.503 5.189 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.631 11.119 6.615 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.013 10.549 6.256 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.490 12.608 5.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.260 11.359 3.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.827 11.911 4.335 1.00 10.00 H new ATOM 456 N VAL A 29 -3.806 6.136 2.355 1.00 10.00 N ATOM 457 CA VAL A 29 -3.514 5.406 1.124 1.00 10.00 C ATOM 458 C VAL A 29 -2.028 5.527 0.784 1.00 10.00 C ATOM 459 O VAL A 29 -1.425 6.588 0.972 1.00 10.00 O ATOM 460 CB VAL A 29 -4.396 5.905 -0.027 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.079 5.198 -1.340 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.864 5.590 0.231 1.00 10.00 C ATOM 0 H VAL A 29 -3.629 7.137 2.269 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.743 4.351 1.276 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.202 6.976 -0.090 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.728 5.583 -2.127 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.038 5.378 -1.608 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.244 4.127 -1.226 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.466 5.955 -0.601 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.993 4.512 0.327 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.184 6.077 1.152 1.00 10.00 H new ATOM 472 N TYR A 30 -1.451 4.417 0.312 1.00 10.00 N ATOM 473 CA TYR A 30 -0.024 4.155 0.251 1.00 10.00 C ATOM 474 C TYR A 30 0.268 3.664 -1.164 1.00 10.00 C ATOM 475 O TYR A 30 -0.439 2.763 -1.594 1.00 10.00 O ATOM 476 CB TYR A 30 0.240 3.048 1.289 1.00 10.00 C ATOM 477 CG TYR A 30 0.102 3.533 2.718 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.185 3.733 3.241 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.222 3.872 3.497 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.351 4.364 4.480 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.042 4.416 4.785 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.244 4.681 5.267 1.00 10.00 C ATOM 483 OH TYR A 30 -0.417 5.226 6.505 1.00 10.00 O ATOM 0 H TYR A 30 -2.003 3.642 -0.055 1.00 10.00 H new ATOM 0 HA TYR A 30 0.601 5.022 0.464 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.456 2.226 1.121 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.244 2.651 1.141 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.050 3.399 2.686 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.218 3.716 3.110 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.344 4.607 4.829 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.902 4.629 5.403 1.00 10.00 H new ATOM 0 HH TYR A 30 0.458 5.384 6.918 1.00 10.00 H new ATOM 493 N ASP A 31 1.258 4.215 -1.880 1.00 10.00 N ATOM 494 CA ASP A 31 1.776 3.596 -3.104 1.00 10.00 C ATOM 495 C ASP A 31 3.150 3.063 -2.769 1.00 10.00 C ATOM 496 O ASP A 31 3.890 3.720 -2.038 1.00 10.00 O ATOM 497 CB ASP A 31 1.909 4.550 -4.302 1.00 10.00 C ATOM 498 CG ASP A 31 2.491 3.820 -5.519 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.729 3.634 -5.556 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.700 3.414 -6.402 1.00 10.00 O ATOM 0 H ASP A 31 1.716 5.091 -1.630 1.00 10.00 H new ATOM 0 HA ASP A 31 1.064 2.831 -3.411 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.932 4.963 -4.553 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.551 5.389 -4.035 1.00 10.00 H new ATOM 505 N LEU A 32 3.497 1.895 -3.302 1.00 10.00 N ATOM 506 CA LEU A 32 4.876 1.446 -3.197 1.00 10.00 C ATOM 507 C LEU A 32 5.348 0.651 -4.402 1.00 10.00 C ATOM 508 O LEU A 32 5.988 -0.394 -4.284 1.00 10.00 O ATOM 509 CB LEU A 32 5.159 0.820 -1.836 1.00 10.00 C ATOM 510 CG LEU A 32 4.010 0.061 -1.155 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.508 -1.281 -0.611 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.551 0.878 0.048 1.00 10.00 C ATOM 0 H LEU A 32 2.865 1.263 -3.794 1.00 10.00 H new ATOM 0 HA LEU A 32 5.514 2.329 -3.235 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.997 0.132 -1.949 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.486 1.612 -1.162 1.00 10.00 H new ATOM 0 HG LEU A 32 3.211 -0.098 -1.880 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.683 -1.808 -0.131 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.896 -1.885 -1.431 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.300 -1.107 0.117 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.734 0.359 0.550 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.382 1.002 0.742 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.208 1.857 -0.287 1.00 10.00 H new ATOM 524 N THR A 33 5.122 1.266 -5.558 1.00 10.00 N ATOM 525 CA THR A 33 5.657 0.898 -6.869 1.00 10.00 C ATOM 526 C THR A 33 7.120 0.461 -6.812 1.00 10.00 C ATOM 527 O THR A 33 7.493 -0.519 -7.443 1.00 10.00 O ATOM 528 CB THR A 33 5.610 2.121 -7.796 1.00 10.00 C ATOM 529 OG1 THR A 33 5.870 3.312 -7.074 1.00 10.00 O ATOM 530 CG2 THR A 33 4.259 2.224 -8.475 1.00 10.00 C ATOM 0 H THR A 33 4.521 2.089 -5.610 1.00 10.00 H new ATOM 0 HA THR A 33 5.047 0.069 -7.228 1.00 10.00 H new ATOM 0 HB THR A 33 6.382 1.993 -8.555 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.023 3.714 -6.790 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.245 3.097 -9.128 1.00 10.00 H new ATOM 0 HG22 THR A 33 4.080 1.326 -9.066 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.479 2.323 -7.720 1.00 10.00 H new ATOM 538 N LYS A 34 7.970 1.221 -6.115 1.00 10.00 N ATOM 539 CA LYS A 34 9.382 0.884 -6.019 1.00 10.00 C ATOM 540 C LYS A 34 9.519 -0.350 -5.134 1.00 10.00 C ATOM 541 O LYS A 34 10.283 -1.270 -5.420 1.00 10.00 O ATOM 542 CB LYS A 34 10.178 2.059 -5.425 1.00 10.00 C ATOM 543 CG LYS A 34 11.686 1.752 -5.394 1.00 10.00 C ATOM 544 CD LYS A 34 12.437 2.649 -4.399 1.00 10.00 C ATOM 545 CE LYS A 34 13.897 2.176 -4.255 1.00 10.00 C ATOM 546 NZ LYS A 34 14.349 2.175 -2.850 1.00 10.00 N ATOM 0 H LYS A 34 7.701 2.068 -5.614 1.00 10.00 H new ATOM 0 HA LYS A 34 9.783 0.679 -7.012 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.999 2.958 -6.015 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.826 2.266 -4.415 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.837 0.707 -5.125 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.104 1.888 -6.391 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.414 3.684 -4.741 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.941 2.623 -3.429 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.993 1.171 -4.666 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.546 2.825 -4.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.235 1.636 -2.771 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.510 3.153 -2.536 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.621 1.735 -2.251 1.00 10.00 H new ATOM 560 N PHE A 35 8.815 -0.335 -4.004 1.00 10.00 N ATOM 561 CA PHE A 35 9.071 -1.288 -2.948 1.00 10.00 C ATOM 562 C PHE A 35 8.621 -2.671 -3.387 1.00 10.00 C ATOM 563 O PHE A 35 9.213 -3.647 -2.961 1.00 10.00 O ATOM 564 CB PHE A 35 8.413 -0.850 -1.637 1.00 10.00 C ATOM 565 CG PHE A 35 9.269 -1.131 -0.418 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.456 -0.396 -0.236 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.965 -2.189 0.458 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.345 -0.729 0.797 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.886 -2.556 1.454 1.00 10.00 C ATOM 570 CZ PHE A 35 11.071 -1.824 1.631 1.00 10.00 C ATOM 0 H PHE A 35 8.066 0.328 -3.805 1.00 10.00 H new ATOM 0 HA PHE A 35 10.143 -1.330 -2.754 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.198 0.218 -1.684 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.457 -1.363 -1.528 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.683 0.429 -0.895 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.027 -2.717 0.365 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.239 -0.143 0.950 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.681 -3.406 2.087 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.769 -2.103 2.406 1.00 10.00 H new ATOM 580 N LEU A 36 7.640 -2.753 -4.286 1.00 10.00 N ATOM 581 CA LEU A 36 7.400 -3.932 -5.116 1.00 10.00 C ATOM 582 C LEU A 36 8.687 -4.740 -5.379 1.00 10.00 C ATOM 583 O LEU A 36 8.718 -5.943 -5.124 1.00 10.00 O ATOM 584 CB LEU A 36 6.769 -3.490 -6.444 1.00 10.00 C ATOM 585 CG LEU A 36 5.375 -2.857 -6.373 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.706 -3.029 -7.739 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.472 -3.457 -5.295 1.00 10.00 C ATOM 0 H LEU A 36 6.982 -1.993 -4.460 1.00 10.00 H new ATOM 0 HA LEU A 36 6.721 -4.591 -4.576 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.442 -2.776 -6.918 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.714 -4.359 -7.099 1.00 10.00 H new ATOM 0 HG LEU A 36 5.510 -1.809 -6.106 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.710 -2.586 -7.715 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.305 -2.533 -8.503 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.625 -4.090 -7.974 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.505 -2.955 -5.310 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.332 -4.521 -5.488 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.935 -3.324 -4.317 1.00 10.00 H new ATOM 599 N GLU A 37 9.752 -4.075 -5.842 1.00 10.00 N ATOM 600 CA GLU A 37 11.056 -4.691 -6.064 1.00 10.00 C ATOM 601 C GLU A 37 11.759 -5.005 -4.738 1.00 10.00 C ATOM 602 O GLU A 37 12.262 -6.103 -4.514 1.00 10.00 O ATOM 603 CB GLU A 37 11.925 -3.715 -6.871 1.00 10.00 C ATOM 604 CG GLU A 37 11.401 -3.476 -8.295 1.00 10.00 C ATOM 605 CD GLU A 37 11.582 -4.699 -9.183 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.756 -5.087 -9.367 1.00 10.00 O ATOM 607 OE2 GLU A 37 10.552 -5.214 -9.665 1.00 10.00 O ATOM 0 H GLU A 37 9.727 -3.082 -6.074 1.00 10.00 H new ATOM 0 HA GLU A 37 10.913 -5.627 -6.604 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.975 -2.762 -6.344 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.942 -4.103 -6.925 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.344 -3.212 -8.253 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.924 -2.627 -8.736 1.00 10.00 H new ATOM 614 N GLU A 38 11.854 -3.983 -3.886 1.00 10.00 N ATOM 615 CA GLU A 38 12.708 -3.937 -2.701 1.00 10.00 C ATOM 616 C GLU A 38 12.188 -4.835 -1.558 1.00 10.00 C ATOM 617 O GLU A 38 12.918 -5.149 -0.621 1.00 10.00 O ATOM 618 CB GLU A 38 12.813 -2.454 -2.295 1.00 10.00 C ATOM 619 CG GLU A 38 14.148 -2.033 -1.666 1.00 10.00 C ATOM 620 CD GLU A 38 14.315 -0.519 -1.734 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.322 0.212 -1.514 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.407 -0.040 -2.119 1.00 10.00 O ATOM 0 H GLU A 38 11.313 -3.127 -4.010 1.00 10.00 H new ATOM 0 HA GLU A 38 13.695 -4.341 -2.924 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.638 -1.840 -3.179 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.013 -2.231 -1.589 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.188 -2.363 -0.628 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.972 -2.520 -2.187 1.00 10.00 H new ATOM 629 N HIS A 39 10.912 -5.218 -1.613 1.00 10.00 N ATOM 630 CA HIS A 39 10.157 -5.849 -0.545 1.00 10.00 C ATOM 631 C HIS A 39 10.499 -7.335 -0.398 1.00 10.00 C ATOM 632 O HIS A 39 10.248 -8.096 -1.330 1.00 10.00 O ATOM 633 CB HIS A 39 8.667 -5.703 -0.885 1.00 10.00 C ATOM 634 CG HIS A 39 7.722 -6.245 0.144 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.554 -6.921 -0.118 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.709 -5.885 1.461 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.858 -6.962 1.033 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.529 -6.353 2.032 1.00 10.00 N ATOM 0 H HIS A 39 10.351 -5.086 -2.455 1.00 10.00 H new ATOM 0 HA HIS A 39 10.406 -5.366 0.400 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.447 -4.646 -1.036 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.476 -6.207 -1.832 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.269 -7.316 -1.014 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.482 -5.331 1.973 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.888 -7.423 1.143 1.00 10.00 H new ATOM 646 N PRO A 40 10.953 -7.795 0.781 1.00 10.00 N ATOM 647 CA PRO A 40 11.083 -9.217 1.087 1.00 10.00 C ATOM 648 C PRO A 40 9.813 -10.018 0.777 1.00 10.00 C ATOM 649 O PRO A 40 9.895 -11.137 0.278 1.00 10.00 O ATOM 650 CB PRO A 40 11.447 -9.283 2.574 1.00 10.00 C ATOM 651 CG PRO A 40 12.190 -7.966 2.791 1.00 10.00 C ATOM 652 CD PRO A 40 11.405 -6.997 1.909 1.00 10.00 C ATOM 0 HA PRO A 40 11.847 -9.676 0.459 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.562 -9.358 3.206 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.074 -10.145 2.800 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.180 -7.662 3.838 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.235 -8.035 2.489 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.563 -6.566 2.450 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.031 -6.168 1.580 1.00 10.00 H new ATOM 660 N GLY A 41 8.635 -9.450 1.059 1.00 10.00 N ATOM 661 CA GLY A 41 7.358 -10.074 0.734 1.00 10.00 C ATOM 662 C GLY A 41 7.146 -10.263 -0.776 1.00 10.00 C ATOM 663 O GLY A 41 6.339 -11.098 -1.169 1.00 10.00 O ATOM 0 H GLY A 41 8.546 -8.544 1.519 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.299 -11.044 1.227 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.549 -9.463 1.135 1.00 10.00 H new ATOM 667 N GLY A 42 7.828 -9.483 -1.623 1.00 10.00 N ATOM 668 CA GLY A 42 7.652 -9.518 -3.071 1.00 10.00 C ATOM 669 C GLY A 42 6.529 -8.590 -3.535 1.00 10.00 C ATOM 670 O GLY A 42 5.853 -7.960 -2.716 1.00 10.00 O ATOM 0 H GLY A 42 8.524 -8.804 -1.314 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.584 -9.229 -3.556 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.432 -10.538 -3.385 1.00 10.00 H new ATOM 674 N GLU A 43 6.364 -8.508 -4.861 1.00 10.00 N ATOM 675 CA GLU A 43 5.402 -7.663 -5.558 1.00 10.00 C ATOM 676 C GLU A 43 4.046 -8.370 -5.630 1.00 10.00 C ATOM 677 O GLU A 43 3.081 -7.869 -5.059 1.00 10.00 O ATOM 678 CB GLU A 43 6.001 -7.249 -6.915 1.00 10.00 C ATOM 679 CG GLU A 43 5.031 -6.694 -7.968 1.00 10.00 C ATOM 680 CD GLU A 43 4.590 -7.723 -9.006 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.798 -8.928 -8.754 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.021 -7.279 -10.030 1.00 10.00 O ATOM 0 H GLU A 43 6.930 -9.060 -5.505 1.00 10.00 H new ATOM 0 HA GLU A 43 5.206 -6.736 -5.018 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.767 -6.496 -6.731 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.503 -8.117 -7.342 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.149 -6.300 -7.463 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.506 -5.857 -8.480 1.00 10.00 H new ATOM 689 N GLU A 44 3.971 -9.527 -6.294 1.00 10.00 N ATOM 690 CA GLU A 44 2.767 -10.336 -6.461 1.00 10.00 C ATOM 691 C GLU A 44 1.768 -10.190 -5.304 1.00 10.00 C ATOM 692 O GLU A 44 0.669 -9.667 -5.479 1.00 10.00 O ATOM 693 CB GLU A 44 3.144 -11.814 -6.652 1.00 10.00 C ATOM 694 CG GLU A 44 4.034 -12.061 -7.875 1.00 10.00 C ATOM 695 CD GLU A 44 4.260 -13.552 -8.086 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.832 -14.169 -7.161 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.838 -14.053 -9.150 1.00 10.00 O ATOM 0 H GLU A 44 4.785 -9.941 -6.748 1.00 10.00 H new ATOM 0 HA GLU A 44 2.264 -9.961 -7.353 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.659 -12.168 -5.759 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.233 -12.404 -6.750 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.569 -11.630 -8.762 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.992 -11.559 -7.741 1.00 10.00 H new ATOM 704 N VAL A 45 2.164 -10.624 -4.105 1.00 10.00 N ATOM 705 CA VAL A 45 1.323 -10.601 -2.912 1.00 10.00 C ATOM 706 C VAL A 45 0.930 -9.168 -2.515 1.00 10.00 C ATOM 707 O VAL A 45 -0.200 -8.937 -2.084 1.00 10.00 O ATOM 708 CB VAL A 45 2.045 -11.366 -1.782 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.332 -10.668 -1.325 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.147 -11.616 -0.565 1.00 10.00 C ATOM 0 H VAL A 45 3.094 -11.007 -3.936 1.00 10.00 H new ATOM 0 HA VAL A 45 0.379 -11.105 -3.119 1.00 10.00 H new ATOM 0 HB VAL A 45 2.307 -12.328 -2.222 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.798 -11.249 -0.529 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.020 -10.587 -2.166 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.093 -9.671 -0.954 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.709 -12.157 0.196 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.811 -10.662 -0.159 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.282 -12.207 -0.866 1.00 10.00 H new ATOM 720 N LEU A 46 1.825 -8.184 -2.675 1.00 10.00 N ATOM 721 CA LEU A 46 1.438 -6.795 -2.475 1.00 10.00 C ATOM 722 C LEU A 46 0.332 -6.441 -3.457 1.00 10.00 C ATOM 723 O LEU A 46 -0.625 -5.791 -3.067 1.00 10.00 O ATOM 724 CB LEU A 46 2.603 -5.805 -2.653 1.00 10.00 C ATOM 725 CG LEU A 46 3.619 -5.781 -1.505 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.797 -4.899 -1.932 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.016 -5.171 -0.238 1.00 10.00 C ATOM 0 H LEU A 46 2.801 -8.326 -2.937 1.00 10.00 H new ATOM 0 HA LEU A 46 1.099 -6.705 -1.443 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.128 -6.048 -3.577 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.192 -4.803 -2.775 1.00 10.00 H new ATOM 0 HG LEU A 46 3.927 -6.805 -1.292 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.535 -4.865 -1.131 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.255 -5.313 -2.830 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.440 -3.890 -2.139 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.763 -5.169 0.556 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.700 -4.148 -0.441 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.155 -5.761 0.075 1.00 10.00 H new ATOM 739 N ARG A 47 0.443 -6.852 -4.721 1.00 10.00 N ATOM 740 CA ARG A 47 -0.512 -6.446 -5.743 1.00 10.00 C ATOM 741 C ARG A 47 -1.861 -7.127 -5.542 1.00 10.00 C ATOM 742 O ARG A 47 -2.900 -6.490 -5.682 1.00 10.00 O ATOM 743 CB ARG A 47 0.038 -6.699 -7.142 1.00 10.00 C ATOM 744 CG ARG A 47 1.078 -5.631 -7.487 1.00 10.00 C ATOM 745 CD ARG A 47 1.642 -5.933 -8.867 1.00 10.00 C ATOM 746 NE ARG A 47 0.617 -5.797 -9.909 1.00 10.00 N ATOM 747 CZ ARG A 47 0.699 -6.383 -11.111 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.816 -7.014 -11.488 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.353 -6.331 -11.934 1.00 10.00 N ATOM 0 H ARG A 47 1.185 -7.465 -5.058 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.670 -5.372 -5.642 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.489 -7.690 -7.192 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.772 -6.681 -7.871 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.623 -4.641 -7.472 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.876 -5.626 -6.745 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.470 -5.256 -9.079 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.046 -6.945 -8.883 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.203 -5.225 -9.707 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.617 -7.053 -10.858 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.867 -7.457 -12.406 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.204 -5.850 -11.644 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.305 -6.773 -12.852 1.00 10.00 H new ATOM 763 N GLU A 48 -1.828 -8.409 -5.184 1.00 10.00 N ATOM 764 CA GLU A 48 -2.981 -9.178 -4.742 1.00 10.00 C ATOM 765 C GLU A 48 -3.755 -8.393 -3.675 1.00 10.00 C ATOM 766 O GLU A 48 -4.975 -8.265 -3.735 1.00 10.00 O ATOM 767 CB GLU A 48 -2.441 -10.500 -4.179 1.00 10.00 C ATOM 768 CG GLU A 48 -3.529 -11.503 -3.760 1.00 10.00 C ATOM 769 CD GLU A 48 -4.335 -12.058 -4.932 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.838 -11.966 -6.075 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.431 -12.590 -4.654 1.00 10.00 O ATOM 0 H GLU A 48 -0.967 -8.956 -5.195 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.673 -9.372 -5.562 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.803 -10.967 -4.929 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.812 -10.283 -3.316 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.062 -12.331 -3.227 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.209 -11.017 -3.060 1.00 10.00 H new ATOM 778 N GLN A 49 -3.022 -7.869 -2.689 1.00 10.00 N ATOM 779 CA GLN A 49 -3.575 -7.141 -1.561 1.00 10.00 C ATOM 780 C GLN A 49 -3.882 -5.680 -1.943 1.00 10.00 C ATOM 781 O GLN A 49 -4.729 -5.040 -1.321 1.00 10.00 O ATOM 782 CB GLN A 49 -2.548 -7.260 -0.427 1.00 10.00 C ATOM 783 CG GLN A 49 -3.044 -6.793 0.940 1.00 10.00 C ATOM 784 CD GLN A 49 -3.974 -7.782 1.638 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.546 -8.854 2.062 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.237 -7.418 1.821 1.00 10.00 N ATOM 0 H GLN A 49 -2.005 -7.945 -2.659 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.531 -7.556 -1.240 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.235 -8.301 -0.348 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.664 -6.681 -0.694 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.183 -6.605 1.582 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.565 -5.843 0.820 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.567 -6.523 1.459 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.877 -8.033 2.323 1.00 10.00 H new ATOM 795 N ALA A 50 -3.173 -5.141 -2.939 1.00 10.00 N ATOM 796 CA ALA A 50 -3.314 -3.771 -3.410 1.00 10.00 C ATOM 797 C ALA A 50 -4.675 -3.566 -4.068 1.00 10.00 C ATOM 798 O ALA A 50 -5.438 -4.503 -4.288 1.00 10.00 O ATOM 799 CB ALA A 50 -2.210 -3.435 -4.410 1.00 10.00 C ATOM 0 H ALA A 50 -2.465 -5.667 -3.452 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.232 -3.108 -2.549 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.330 -2.407 -4.753 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.238 -3.546 -3.930 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.273 -4.111 -5.263 1.00 10.00 H new ATOM 805 N GLY A 51 -4.976 -2.305 -4.378 1.00 10.00 N ATOM 806 CA GLY A 51 -6.312 -1.851 -4.692 1.00 10.00 C ATOM 807 C GLY A 51 -7.323 -2.449 -3.740 1.00 10.00 C ATOM 808 O GLY A 51 -8.363 -2.977 -4.127 1.00 10.00 O ATOM 0 H GLY A 51 -4.277 -1.563 -4.416 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.353 -0.763 -4.636 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.563 -2.127 -5.716 1.00 10.00 H new ATOM 812 N GLY A 52 -6.999 -2.286 -2.462 1.00 10.00 N ATOM 813 CA GLY A 52 -7.820 -2.693 -1.371 1.00 10.00 C ATOM 814 C GLY A 52 -7.058 -2.361 -0.097 1.00 10.00 C ATOM 815 O GLY A 52 -5.979 -1.758 -0.104 1.00 10.00 O ATOM 0 H GLY A 52 -6.125 -1.851 -2.167 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.778 -2.174 -1.394 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.034 -3.760 -1.426 1.00 10.00 H new ATOM 819 N ASP A 53 -7.678 -2.764 0.994 1.00 10.00 N ATOM 820 CA ASP A 53 -7.118 -2.709 2.330 1.00 10.00 C ATOM 821 C ASP A 53 -5.900 -3.624 2.445 1.00 10.00 C ATOM 822 O ASP A 53 -5.889 -4.721 1.887 1.00 10.00 O ATOM 823 CB ASP A 53 -8.171 -3.125 3.365 1.00 10.00 C ATOM 824 CG ASP A 53 -7.515 -3.250 4.731 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.987 -2.220 5.198 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.425 -4.382 5.244 1.00 10.00 O ATOM 0 H ASP A 53 -8.621 -3.153 0.974 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.807 -1.683 2.524 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.973 -2.388 3.401 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.623 -4.074 3.078 1.00 10.00 H new ATOM 831 N ALA A 54 -4.900 -3.189 3.213 1.00 10.00 N ATOM 832 CA ALA A 54 -3.915 -4.084 3.799 1.00 10.00 C ATOM 833 C ALA A 54 -3.589 -3.709 5.250 1.00 10.00 C ATOM 834 O ALA A 54 -2.499 -4.037 5.723 1.00 10.00 O ATOM 835 CB ALA A 54 -2.652 -4.077 2.938 1.00 10.00 C ATOM 0 H ALA A 54 -4.755 -2.206 3.443 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.335 -5.089 3.822 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.911 -4.747 3.374 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.897 -4.413 1.930 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.247 -3.066 2.895 1.00 10.00 H new ATOM 841 N THR A 55 -4.490 -3.018 5.960 1.00 10.00 N ATOM 842 CA THR A 55 -4.206 -2.500 7.291 1.00 10.00 C ATOM 843 C THR A 55 -3.835 -3.638 8.245 1.00 10.00 C ATOM 844 O THR A 55 -2.727 -3.654 8.788 1.00 10.00 O ATOM 845 CB THR A 55 -5.383 -1.673 7.846 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.793 -0.677 6.931 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.937 -0.950 9.116 1.00 10.00 C ATOM 0 H THR A 55 -5.430 -2.807 5.624 1.00 10.00 H new ATOM 0 HA THR A 55 -3.352 -1.828 7.208 1.00 10.00 H new ATOM 0 HB THR A 55 -6.206 -2.363 8.035 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.533 -1.018 6.387 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.767 -0.364 9.512 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.623 -1.682 9.860 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.103 -0.288 8.884 1.00 10.00 H new ATOM 855 N GLU A 56 -4.763 -4.584 8.449 1.00 10.00 N ATOM 856 CA GLU A 56 -4.544 -5.718 9.316 1.00 10.00 C ATOM 857 C GLU A 56 -3.285 -6.441 8.867 1.00 10.00 C ATOM 858 O GLU A 56 -2.356 -6.531 9.650 1.00 10.00 O ATOM 859 CB GLU A 56 -5.772 -6.637 9.319 1.00 10.00 C ATOM 860 CG GLU A 56 -7.029 -5.898 9.801 1.00 10.00 C ATOM 861 CD GLU A 56 -8.191 -6.854 10.050 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.217 -7.910 9.381 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.026 -6.511 10.913 1.00 10.00 O ATOM 0 H GLU A 56 -5.684 -4.571 8.010 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.402 -5.385 10.344 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.940 -7.025 8.314 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.584 -7.495 9.964 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.802 -5.356 10.719 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.322 -5.157 9.057 1.00 10.00 H new ATOM 870 N ASN A 57 -3.224 -6.888 7.609 1.00 10.00 N ATOM 871 CA ASN A 57 -2.072 -7.609 7.064 1.00 10.00 C ATOM 872 C ASN A 57 -0.751 -6.932 7.456 1.00 10.00 C ATOM 873 O ASN A 57 0.136 -7.560 8.036 1.00 10.00 O ATOM 874 CB ASN A 57 -2.225 -7.733 5.540 1.00 10.00 C ATOM 875 CG ASN A 57 -1.153 -8.625 4.912 1.00 10.00 C ATOM 876 OD1 ASN A 57 0.009 -8.584 5.295 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.512 -9.414 3.904 1.00 10.00 N ATOM 0 H ASN A 57 -3.979 -6.758 6.936 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.042 -8.611 7.492 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.210 -8.138 5.309 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.175 -6.741 5.092 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -0.815 -9.996 3.439 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.484 -9.438 3.596 1.00 10.00 H new ATOM 884 N PHE A 58 -0.634 -5.633 7.166 1.00 10.00 N ATOM 885 CA PHE A 58 0.555 -4.866 7.497 1.00 10.00 C ATOM 886 C PHE A 58 0.905 -4.988 8.983 1.00 10.00 C ATOM 887 O PHE A 58 2.018 -5.390 9.322 1.00 10.00 O ATOM 888 CB PHE A 58 0.372 -3.399 7.090 1.00 10.00 C ATOM 889 CG PHE A 58 1.591 -2.548 7.383 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.722 -2.639 6.552 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.662 -1.802 8.575 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.901 -1.947 6.879 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.856 -1.151 8.928 1.00 10.00 C ATOM 894 CZ PHE A 58 3.973 -1.210 8.074 1.00 10.00 C ATOM 0 H PHE A 58 -1.361 -5.092 6.697 1.00 10.00 H new ATOM 0 HA PHE A 58 1.392 -5.278 6.934 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.148 -3.348 6.025 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.488 -2.986 7.617 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.684 -3.244 5.658 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.798 -1.730 9.219 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.751 -1.981 6.213 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.917 -0.604 9.857 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.883 -0.691 8.336 1.00 10.00 H new ATOM 904 N GLU A 59 -0.025 -4.615 9.868 1.00 10.00 N ATOM 905 CA GLU A 59 0.274 -4.550 11.294 1.00 10.00 C ATOM 906 C GLU A 59 0.556 -5.958 11.839 1.00 10.00 C ATOM 907 O GLU A 59 1.596 -6.209 12.444 1.00 10.00 O ATOM 908 CB GLU A 59 -0.877 -3.853 12.033 1.00 10.00 C ATOM 909 CG GLU A 59 -0.393 -3.179 13.325 1.00 10.00 C ATOM 910 CD GLU A 59 0.193 -1.789 13.095 1.00 10.00 C ATOM 911 OE1 GLU A 59 1.349 -1.668 12.636 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.500 -0.806 13.434 1.00 10.00 O ATOM 0 H GLU A 59 -0.980 -4.357 9.621 1.00 10.00 H new ATOM 0 HA GLU A 59 1.174 -3.958 11.459 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.330 -3.107 11.380 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.652 -4.582 12.270 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.227 -3.104 14.022 1.00 10.00 H new ATOM 0 HG3 GLU A 59 0.360 -3.810 13.796 1.00 10.00 H new ATOM 919 N ASP A 60 -0.387 -6.867 11.581 1.00 10.00 N ATOM 920 CA ASP A 60 -0.357 -8.307 11.826 1.00 10.00 C ATOM 921 C ASP A 60 1.036 -8.896 11.597 1.00 10.00 C ATOM 922 O ASP A 60 1.613 -9.504 12.496 1.00 10.00 O ATOM 923 CB ASP A 60 -1.373 -8.986 10.893 1.00 10.00 C ATOM 924 CG ASP A 60 -1.270 -10.500 10.971 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.925 -11.076 11.864 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.524 -11.048 10.128 1.00 10.00 O ATOM 0 H ASP A 60 -1.271 -6.586 11.157 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.616 -8.486 12.869 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.382 -8.674 11.162 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.202 -8.660 9.867 1.00 10.00 H new ATOM 931 N HIS A 61 1.588 -8.689 10.399 1.00 10.00 N ATOM 932 CA HIS A 61 2.881 -9.247 10.018 1.00 10.00 C ATOM 933 C HIS A 61 4.060 -8.680 10.827 1.00 10.00 C ATOM 934 O HIS A 61 5.187 -9.139 10.655 1.00 10.00 O ATOM 935 CB HIS A 61 3.086 -9.056 8.512 1.00 10.00 C ATOM 936 CG HIS A 61 2.233 -9.958 7.652 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.082 -10.625 8.017 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.526 -10.325 6.367 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.698 -11.367 6.965 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.554 -11.232 5.937 1.00 10.00 N ATOM 0 H HIS A 61 1.149 -8.129 9.668 1.00 10.00 H new ATOM 0 HA HIS A 61 2.864 -10.311 10.256 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.871 -8.019 8.256 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.135 -9.232 8.274 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.610 -10.566 8.919 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.365 -9.974 5.785 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.184 -11.991 6.947 1.00 10.00 H new ATOM 948 N GLY A 62 3.833 -7.706 11.714 1.00 10.00 N ATOM 949 CA GLY A 62 4.851 -7.209 12.627 1.00 10.00 C ATOM 950 C GLY A 62 5.938 -6.444 11.881 1.00 10.00 C ATOM 951 O GLY A 62 7.118 -6.560 12.203 1.00 10.00 O ATOM 0 H GLY A 62 2.930 -7.242 11.814 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.390 -6.558 13.370 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.297 -8.044 13.168 1.00 10.00 H new ATOM 955 N HIS A 63 5.528 -5.648 10.891 1.00 10.00 N ATOM 956 CA HIS A 63 6.434 -4.823 10.110 1.00 10.00 C ATOM 957 C HIS A 63 7.204 -3.852 11.014 1.00 10.00 C ATOM 958 O HIS A 63 6.612 -3.174 11.853 1.00 10.00 O ATOM 959 CB HIS A 63 5.627 -4.091 9.036 1.00 10.00 C ATOM 960 CG HIS A 63 5.318 -4.962 7.847 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.186 -5.710 7.624 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.091 -5.054 6.729 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.269 -6.217 6.379 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.418 -5.838 5.789 1.00 10.00 N ATOM 0 H HIS A 63 4.551 -5.562 10.612 1.00 10.00 H new ATOM 0 HA HIS A 63 7.181 -5.449 9.621 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.694 -3.732 9.470 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.183 -3.214 8.704 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.421 -5.855 8.283 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.060 -4.598 6.593 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.518 -6.841 5.918 1.00 10.00 H new ATOM 972 N SER A 64 8.529 -3.804 10.849 1.00 10.00 N ATOM 973 CA SER A 64 9.430 -3.079 11.734 1.00 10.00 C ATOM 974 C SER A 64 9.177 -1.568 11.730 1.00 10.00 C ATOM 975 O SER A 64 8.582 -1.021 10.801 1.00 10.00 O ATOM 976 CB SER A 64 10.879 -3.390 11.341 1.00 10.00 C ATOM 977 OG SER A 64 11.090 -4.785 11.383 1.00 10.00 O ATOM 0 H SER A 64 9.008 -4.277 10.083 1.00 10.00 H new ATOM 0 HA SER A 64 9.240 -3.415 12.753 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.085 -3.011 10.340 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.567 -2.887 12.020 1.00 10.00 H new ATOM 0 HG SER A 64 10.594 -5.213 10.654 1.00 10.00 H new ATOM 983 N THR A 65 9.691 -0.883 12.756 1.00 10.00 N ATOM 984 CA THR A 65 9.669 0.565 12.905 1.00 10.00 C ATOM 985 C THR A 65 9.938 1.247 11.569 1.00 10.00 C ATOM 986 O THR A 65 9.077 1.932 11.032 1.00 10.00 O ATOM 987 CB THR A 65 10.741 0.938 13.945 1.00 10.00 C ATOM 988 OG1 THR A 65 11.844 0.045 13.852 1.00 10.00 O ATOM 989 CG2 THR A 65 10.166 0.801 15.356 1.00 10.00 C ATOM 0 H THR A 65 10.153 -1.349 13.537 1.00 10.00 H new ATOM 0 HA THR A 65 8.688 0.902 13.240 1.00 10.00 H new ATOM 0 HB THR A 65 11.058 1.963 13.751 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.574 0.477 13.361 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.929 1.066 16.087 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.310 1.467 15.467 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.848 -0.228 15.521 1.00 10.00 H new ATOM 997 N ASP A 66 11.124 1.023 11.021 1.00 10.00 N ATOM 998 CA ASP A 66 11.636 1.621 9.805 1.00 10.00 C ATOM 999 C ASP A 66 10.737 1.317 8.599 1.00 10.00 C ATOM 1000 O ASP A 66 10.581 2.160 7.719 1.00 10.00 O ATOM 1001 CB ASP A 66 13.068 1.095 9.609 1.00 10.00 C ATOM 1002 CG ASP A 66 13.942 1.280 10.853 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.544 0.732 11.912 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.974 1.970 10.729 1.00 10.00 O ATOM 0 H ASP A 66 11.792 0.378 11.443 1.00 10.00 H new ATOM 0 HA ASP A 66 11.645 2.708 9.889 1.00 10.00 H new ATOM 0 HB2 ASP A 66 13.030 0.037 9.351 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.528 1.612 8.767 1.00 10.00 H new ATOM 1009 N ALA A 67 10.107 0.138 8.558 1.00 10.00 N ATOM 1010 CA ALA A 67 9.113 -0.193 7.549 1.00 10.00 C ATOM 1011 C ALA A 67 7.912 0.743 7.722 1.00 10.00 C ATOM 1012 O ALA A 67 7.391 1.290 6.756 1.00 10.00 O ATOM 1013 CB ALA A 67 8.696 -1.666 7.667 1.00 10.00 C ATOM 0 H ALA A 67 10.278 -0.611 9.229 1.00 10.00 H new ATOM 0 HA ALA A 67 9.533 -0.056 6.552 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.952 -1.896 6.904 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.569 -2.304 7.526 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.271 -1.846 8.654 1.00 10.00 H new ATOM 1019 N ARG A 68 7.499 0.941 8.975 1.00 10.00 N ATOM 1020 CA ARG A 68 6.420 1.830 9.385 1.00 10.00 C ATOM 1021 C ARG A 68 6.728 3.287 8.989 1.00 10.00 C ATOM 1022 O ARG A 68 5.927 3.923 8.302 1.00 10.00 O ATOM 1023 CB ARG A 68 6.168 1.616 10.894 1.00 10.00 C ATOM 1024 CG ARG A 68 4.687 1.548 11.293 1.00 10.00 C ATOM 1025 CD ARG A 68 4.461 0.448 12.350 1.00 10.00 C ATOM 1026 NE ARG A 68 3.060 0.385 12.811 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.480 1.266 13.640 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.199 2.281 14.130 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.196 1.147 13.982 1.00 10.00 N ATOM 0 H ARG A 68 7.930 0.462 9.765 1.00 10.00 H new ATOM 0 HA ARG A 68 5.493 1.595 8.862 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.656 0.692 11.203 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.642 2.427 11.446 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.367 2.512 11.689 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.076 1.346 10.413 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.746 -0.517 11.932 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.113 0.630 13.204 1.00 10.00 H new ATOM 0 HE ARG A 68 2.488 -0.389 12.473 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.181 2.381 13.873 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.766 2.955 14.761 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.639 0.377 13.612 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.771 1.826 14.614 1.00 10.00 H new ATOM 1043 N GLU A 69 7.893 3.819 9.377 1.00 10.00 N ATOM 1044 CA GLU A 69 8.460 5.056 8.849 1.00 10.00 C ATOM 1045 C GLU A 69 8.319 5.109 7.323 1.00 10.00 C ATOM 1046 O GLU A 69 7.770 6.067 6.771 1.00 10.00 O ATOM 1047 CB GLU A 69 9.934 5.165 9.273 1.00 10.00 C ATOM 1048 CG GLU A 69 10.153 5.150 10.794 1.00 10.00 C ATOM 1049 CD GLU A 69 9.292 6.164 11.525 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.245 7.337 11.088 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.570 5.778 12.474 1.00 10.00 O ATOM 0 H GLU A 69 8.481 3.384 10.088 1.00 10.00 H new ATOM 0 HA GLU A 69 7.913 5.905 9.258 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.491 4.340 8.829 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.351 6.086 8.866 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.936 4.153 11.177 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.203 5.352 11.007 1.00 10.00 H new ATOM 1058 N LEU A 70 8.781 4.058 6.640 1.00 10.00 N ATOM 1059 CA LEU A 70 8.628 3.948 5.194 1.00 10.00 C ATOM 1060 C LEU A 70 7.169 4.187 4.773 1.00 10.00 C ATOM 1061 O LEU A 70 6.905 4.984 3.874 1.00 10.00 O ATOM 1062 CB LEU A 70 9.161 2.606 4.651 1.00 10.00 C ATOM 1063 CG LEU A 70 10.384 2.702 3.723 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.328 3.886 2.751 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.672 2.755 4.548 1.00 10.00 C ATOM 0 H LEU A 70 9.265 3.270 7.071 1.00 10.00 H new ATOM 0 HA LEU A 70 9.239 4.731 4.746 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.419 1.969 5.497 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.356 2.108 4.111 1.00 10.00 H new ATOM 0 HG LEU A 70 10.372 1.802 3.109 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.223 3.889 2.129 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.446 3.795 2.117 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.275 4.817 3.315 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.530 2.823 3.879 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.651 3.628 5.200 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.754 1.852 5.153 1.00 10.00 H new ATOM 1077 N SER A 71 6.207 3.554 5.451 1.00 10.00 N ATOM 1078 CA SER A 71 4.792 3.759 5.183 1.00 10.00 C ATOM 1079 C SER A 71 4.454 5.245 5.189 1.00 10.00 C ATOM 1080 O SER A 71 3.780 5.725 4.281 1.00 10.00 O ATOM 1081 CB SER A 71 3.934 2.954 6.174 1.00 10.00 C ATOM 1082 OG SER A 71 4.536 1.708 6.460 1.00 10.00 O ATOM 0 H SER A 71 6.394 2.887 6.199 1.00 10.00 H new ATOM 0 HA SER A 71 4.560 3.386 4.185 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.806 3.521 7.096 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.940 2.796 5.756 1.00 10.00 H new ATOM 0 HG SER A 71 3.919 1.161 6.990 1.00 10.00 H new ATOM 1088 N LYS A 72 4.950 5.985 6.181 1.00 10.00 N ATOM 1089 CA LYS A 72 4.697 7.419 6.258 1.00 10.00 C ATOM 1090 C LYS A 72 5.096 8.084 4.947 1.00 10.00 C ATOM 1091 O LYS A 72 4.287 8.756 4.317 1.00 10.00 O ATOM 1092 CB LYS A 72 5.444 8.075 7.427 1.00 10.00 C ATOM 1093 CG LYS A 72 5.278 7.280 8.720 1.00 10.00 C ATOM 1094 CD LYS A 72 5.956 8.028 9.874 1.00 10.00 C ATOM 1095 CE LYS A 72 5.942 7.187 11.156 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.917 7.689 12.142 1.00 10.00 N ATOM 0 H LYS A 72 5.526 5.615 6.937 1.00 10.00 H new ATOM 0 HA LYS A 72 3.630 7.557 6.434 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.503 8.156 7.183 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.072 9.089 7.573 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.220 7.137 8.938 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.717 6.289 8.608 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.984 8.267 9.603 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.444 8.974 10.050 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.943 7.201 11.591 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.169 6.149 10.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.209 6.912 12.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.750 8.066 11.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.480 8.444 12.709 1.00 10.00 H new ATOM 1110 N THR A 73 6.339 7.864 4.521 1.00 10.00 N ATOM 1111 CA THR A 73 6.811 8.492 3.289 1.00 10.00 C ATOM 1112 C THR A 73 6.112 7.941 2.039 1.00 10.00 C ATOM 1113 O THR A 73 6.157 8.597 1.001 1.00 10.00 O ATOM 1114 CB THR A 73 8.343 8.512 3.161 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.703 9.462 2.177 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.967 7.173 2.776 1.00 10.00 C ATOM 0 H THR A 73 7.021 7.272 4.996 1.00 10.00 H new ATOM 0 HA THR A 73 6.517 9.539 3.363 1.00 10.00 H new ATOM 0 HB THR A 73 8.724 8.762 4.151 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.019 9.482 1.476 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.049 7.282 2.709 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.724 6.427 3.533 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.574 6.853 1.811 1.00 10.00 H new ATOM 1124 N PHE A 74 5.488 6.761 2.119 1.00 10.00 N ATOM 1125 CA PHE A 74 4.695 6.207 1.027 1.00 10.00 C ATOM 1126 C PHE A 74 3.270 6.764 0.994 1.00 10.00 C ATOM 1127 O PHE A 74 2.552 6.482 0.035 1.00 10.00 O ATOM 1128 CB PHE A 74 4.602 4.688 1.148 1.00 10.00 C ATOM 1129 CG PHE A 74 5.888 3.892 1.153 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.983 4.235 0.334 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.883 2.655 1.815 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.081 3.362 0.231 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.917 1.738 1.605 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.058 2.126 0.899 1.00 10.00 C ATOM 0 H PHE A 74 5.521 6.165 2.946 1.00 10.00 H new ATOM 0 HA PHE A 74 5.206 6.493 0.108 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.065 4.459 2.069 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.989 4.325 0.323 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.979 5.166 -0.213 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.076 2.410 2.490 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.940 3.641 -0.361 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.834 0.732 1.988 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.921 1.477 0.867 1.00 10.00 H new ATOM 1144 N ILE A 75 2.821 7.486 2.030 1.00 10.00 N ATOM 1145 CA ILE A 75 1.497 8.116 1.981 1.00 10.00 C ATOM 1146 C ILE A 75 1.353 8.993 0.733 1.00 10.00 C ATOM 1147 O ILE A 75 2.183 9.864 0.483 1.00 10.00 O ATOM 1148 CB ILE A 75 1.168 8.898 3.269 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.792 7.881 4.348 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.004 9.880 3.089 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.863 8.458 5.765 1.00 10.00 C ATOM 0 H ILE A 75 3.342 7.645 2.892 1.00 10.00 H new ATOM 0 HA ILE A 75 0.762 7.314 1.914 1.00 10.00 H new ATOM 0 HB ILE A 75 2.044 9.487 3.541 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.218 7.517 4.160 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.459 7.022 4.278 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.189 10.401 4.028 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.245 10.605 2.314 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.898 9.330 2.797 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.585 7.689 6.485 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.879 8.797 5.969 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.176 9.300 5.850 1.00 10.00 H new ATOM 1163 N ILE A 76 0.273 8.773 -0.022 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.026 9.476 -1.270 1.00 10.00 C ATOM 1165 C ILE A 76 -1.407 10.141 -1.253 1.00 10.00 C ATOM 1166 O ILE A 76 -1.734 10.888 -2.177 1.00 10.00 O ATOM 1167 CB ILE A 76 0.037 8.480 -2.445 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.709 7.182 -2.079 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.491 8.197 -2.842 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.198 6.388 -3.288 1.00 10.00 C ATOM 0 H ILE A 76 -0.436 8.082 0.226 1.00 10.00 H new ATOM 0 HA ILE A 76 0.719 10.263 -1.386 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.457 8.924 -3.309 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.049 6.550 -1.485 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.564 7.431 -1.450 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.511 7.492 -3.673 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.973 9.127 -3.144 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.024 7.771 -1.992 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.713 5.489 -2.949 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.885 7.001 -3.872 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.346 6.107 -3.907 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.256 9.807 -0.277 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.699 9.911 -0.464 1.00 10.00 C ATOM 1184 C GLY A 77 -4.411 9.384 0.755 1.00 10.00 C ATOM 1185 O GLY A 77 -3.767 8.944 1.712 1.00 10.00 O ATOM 0 H GLY A 77 -1.969 9.466 0.641 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.978 10.950 -0.639 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.002 9.347 -1.346 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.741 9.395 0.675 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.614 8.880 1.695 1.00 10.00 C ATOM 1191 C GLU A 78 -7.848 8.215 1.080 1.00 10.00 C ATOM 1192 O GLU A 78 -8.226 8.539 -0.037 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.060 10.063 2.559 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.927 10.915 3.154 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.354 12.068 2.332 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.847 12.391 1.230 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.377 12.632 2.873 1.00 10.00 O ATOM 0 H GLU A 78 -6.241 9.776 -0.128 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.086 8.130 2.284 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.699 10.709 1.957 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.672 9.682 3.377 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.288 11.330 4.095 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.103 10.243 3.396 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.478 7.318 1.834 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.667 6.545 1.466 1.00 10.00 C ATOM 1206 C LEU A 79 -10.912 7.421 1.426 1.00 10.00 C ATOM 1207 O LEU A 79 -11.381 7.862 2.474 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.865 5.425 2.502 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.257 4.777 2.435 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.566 4.254 1.035 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.419 3.670 3.470 1.00 10.00 C ATOM 0 H LEU A 79 -8.155 7.096 2.776 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.518 6.129 0.470 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.106 4.658 2.347 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.708 5.831 3.501 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.978 5.559 2.670 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.558 3.803 1.026 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.536 5.079 0.324 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.825 3.506 0.754 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.417 3.239 3.388 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.673 2.895 3.294 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.283 4.084 4.469 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.467 7.672 0.239 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.507 8.670 0.123 1.00 10.00 C ATOM 1225 C HIS A 80 -13.711 8.390 1.022 1.00 10.00 C ATOM 1226 O HIS A 80 -14.343 7.352 0.867 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.964 8.832 -1.316 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.843 10.042 -1.428 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.207 10.071 -1.223 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.364 11.298 -1.183 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.533 11.328 -0.872 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.441 12.110 -0.826 1.00 10.00 N ATOM 0 H HIS A 80 -11.215 7.205 -0.632 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.057 9.603 0.463 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.101 8.934 -1.974 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.507 7.944 -1.639 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.332 11.608 -1.253 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.537 11.663 -0.656 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.406 13.099 -0.579 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.112 9.282 1.937 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.892 8.828 3.075 1.00 10.00 C ATOM 1242 C PRO A 81 -16.361 8.549 2.885 1.00 10.00 C ATOM 1243 O PRO A 81 -17.095 8.367 3.858 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.875 10.006 4.021 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.577 10.740 3.714 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.613 10.628 2.199 1.00 10.00 C ATOM 0 HA PRO A 81 -14.446 7.879 3.372 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.740 10.651 3.864 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -14.907 9.678 5.060 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.581 11.773 4.063 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.704 10.259 4.154 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.265 11.384 1.762 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.623 10.774 1.768 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.780 8.517 1.643 1.00 10.00 N ATOM 1255 CA ASP A 82 -18.048 7.903 1.335 1.00 10.00 C ATOM 1256 C ASP A 82 -17.951 6.390 1.595 1.00 10.00 C ATOM 1257 O ASP A 82 -18.961 5.706 1.726 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.426 8.246 -0.109 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.868 7.870 -0.415 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.749 8.412 0.286 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -20.061 7.096 -1.376 1.00 10.00 O ATOM 0 H ASP A 82 -16.274 8.900 0.845 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.843 8.285 1.975 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.284 9.313 -0.279 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.760 7.722 -0.794 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.709 5.888 1.693 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.328 4.524 1.909 1.00 10.00 C ATOM 1268 C ASP A 83 -16.316 4.228 3.418 1.00 10.00 C ATOM 1269 O ASP A 83 -17.262 4.574 4.123 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.935 4.471 1.264 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.573 3.057 0.860 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.204 2.312 1.789 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.653 2.766 -0.350 1.00 10.00 O ATOM 0 H ASP A 83 -15.893 6.495 1.613 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.998 3.776 1.485 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.912 5.120 0.388 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.192 4.854 1.964 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.187 3.692 3.887 1.00 10.00 N ATOM 1279 CA ARG A 84 -14.775 3.367 5.256 1.00 10.00 C ATOM 1280 C ARG A 84 -15.117 1.936 5.671 1.00 10.00 C ATOM 1281 O ARG A 84 -14.345 1.407 6.505 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.334 4.341 6.289 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.924 5.795 6.022 1.00 10.00 C ATOM 1284 CD ARG A 84 -16.119 6.661 6.452 1.00 10.00 C ATOM 1285 NE ARG A 84 -15.732 7.994 6.938 1.00 10.00 N ATOM 1286 CZ ARG A 84 -16.591 9.019 7.069 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -17.699 9.070 6.323 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -16.333 9.998 7.943 1.00 10.00 N ATOM 1289 OXT ARG A 84 -16.162 1.421 5.220 1.00 10.00 O ATOM 0 H ARG A 84 -14.445 3.444 3.232 1.00 10.00 H new ATOM 0 HA ARG A 84 -13.689 3.462 5.238 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -16.422 4.271 6.296 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.990 4.048 7.281 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.029 6.058 6.587 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.692 5.947 4.968 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -16.798 6.774 5.607 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -16.670 6.142 7.237 1.00 10.00 H new ATOM 0 HE ARG A 84 -14.756 8.149 7.190 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -17.896 8.329 5.651 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -18.348 9.850 6.426 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -15.485 9.966 8.509 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -16.984 10.777 8.043 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.023 -6.079 3.927 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.310 -8.467 5.016 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.418 -3.595 4.352 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.648 -3.693 3.206 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.717 -8.609 3.248 1.00 10.00 C HETATM 1309 NA HEM A 201 8.015 -6.041 4.545 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.722 -7.125 4.986 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.995 -6.631 5.473 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.057 -5.286 5.172 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.772 -4.908 4.649 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.201 -4.331 5.430 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.978 -7.393 6.338 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.616 -7.318 7.828 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.787 -5.912 8.402 1.00 10.00 C HETATM 1318 O1A HEM A 201 9.842 -5.434 9.068 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.878 -5.340 8.204 1.00 10.00 O HETATM 1320 NB HEM A 201 6.048 -4.040 3.739 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.140 -3.229 3.941 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.726 -1.863 3.722 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.388 -1.921 3.412 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.954 -3.288 3.447 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.568 -0.635 3.972 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.534 -0.811 2.843 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.015 0.115 3.666 1.00 10.00 C HETATM 1328 NC HEM A 201 4.031 -6.136 3.378 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.259 -5.023 3.169 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.920 -5.463 2.876 1.00 10.00 C HETATM 1331 C3C HEM A 201 1.978 -6.830 2.809 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.297 -7.277 3.173 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.694 -4.602 2.712 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.862 -7.705 2.296 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.948 -8.210 1.047 1.00 10.00 C HETATM 1336 ND HEM A 201 6.019 -8.169 4.087 1.00 10.00 N HETATM 1337 C1D HEM A 201 4.986 -8.979 3.700 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.426 -10.344 3.853 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.705 -10.305 4.364 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.073 -8.915 4.524 1.00 10.00 C HETATM 1341 CMD HEM A 201 4.620 -11.579 3.510 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.602 -11.493 4.629 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.561 -11.950 6.088 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.679 -12.952 6.338 1.00 10.00 C HETATM 1345 O1D HEM A 201 8.353 -14.148 6.489 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.844 -12.499 6.343 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.148 -3.501 4.725 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.148 -4.855 5.303 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.132 -3.948 6.448 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.265 -0.832 4.786 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.922 0.200 4.242 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.125 -0.386 3.069 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.005 -5.079 2.016 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.984 -3.626 2.323 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.205 -4.477 3.678 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.559 -11.369 3.642 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 4.913 -12.398 4.167 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 4.808 -11.860 2.474 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.398 0.918 3.263 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.211 0.063 4.737 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.151 -8.844 0.660 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.815 -7.983 0.426 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.243 -8.014 8.386 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.583 -7.639 7.964 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.980 -6.990 6.188 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.003 -8.436 6.024 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.595 -12.403 6.311 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.672 -11.093 6.752 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.627 -11.236 4.362 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.303 -12.320 3.985 1.00 10.00 H new HETATM 0 HHA HEM A 201 8.983 -9.197 5.442 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.170 -2.825 4.445 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.898 -2.934 3.039 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.031 -9.385 2.943 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.341 -0.762 1.771 1.00 10.00 H new HETATM 0 HAC HEM A 201 -0.001 -7.926 2.924 1.00 10.00 H new