USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 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 45 HIS : no HE2:sc= 0.991 K(o=-5,f=-9.9) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.156 K(o=-5,f=-9.4!) USER MOD Set 1.3: A 57 ASN : amide:sc= -1.78! C(o=-5!,f=-7.8!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -4.04! (180deg=-5.96!) USER MOD Set 2.1: A 21 THR OG1 : rot -32:sc= 0.583 USER MOD Set 2.2: A 33 THR OG1 : rot 95:sc= 1.89 USER MOD Set 3.1: A 17 ASN : amide:sc= 1.56 K(o=1.9,f=-9.2!) USER MOD Set 3.2: A 18 SER OG : rot -150:sc= 0.307 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -1.02 K(o=0.4,f=-3.8!) USER MOD Set 4.2: A 19 LYS NZ :NH3+ -160:sc= 1.21 (180deg=-0.628) USER MOD Set 4.3: A 20 SER OG : rot 171:sc= 0.217 USER MOD Set 5.1: A 13 GLN : amide:sc= 0.188 K(o=0.37,f=-4.2) USER MOD Set 5.2: A 16 ASN : amide:sc= 0.177 K(o=0.37,f=-3.2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 2.32 (180deg=2.06) USER MOD Single : A 26 HIS : no HE2:sc= -0.374 K(o=-0.37,f=-6.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 1.27 (180deg=0.967) USER MOD Single : A 30 TYR OH : rot 22:sc= 1.09 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.858 (180deg=0.402) USER MOD Single : A 55 THR OG1 : rot 40:sc= 0.877 USER MOD Single : A 64 SER OG : rot 54:sc= 0.89 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 71 SER OG : rot -77:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 0.853 (180deg=-3.31!) USER MOD Single : A 73 THR OG1 : rot -35:sc= 0.723 USER MOD Single : A 80 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-6.4!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.354 (180deg=-0.721) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -2.7 (180deg=-2.7) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -2.88! (180deg=-2.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 3.854 2.323 -17.968 1.00 0.00 N ATOM 2 CA ALA A 3 2.775 1.338 -17.725 1.00 0.00 C ATOM 3 C ALA A 3 3.016 0.603 -16.401 1.00 0.00 C ATOM 4 O ALA A 3 4.112 0.718 -15.858 1.00 0.00 O ATOM 5 CB ALA A 3 2.685 0.348 -18.892 1.00 0.00 C ATOM 0 HA ALA A 3 1.824 1.867 -17.654 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.888 -0.370 -18.699 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.471 0.890 -19.813 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.633 -0.181 -18.994 1.00 0.00 H new ATOM 13 N VAL A 4 2.023 -0.127 -15.887 1.00 0.00 N ATOM 14 CA VAL A 4 2.193 -0.929 -14.673 1.00 0.00 C ATOM 15 C VAL A 4 3.024 -2.186 -14.938 1.00 0.00 C ATOM 16 O VAL A 4 3.127 -2.633 -16.080 1.00 0.00 O ATOM 17 CB VAL A 4 0.842 -1.413 -14.095 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.836 -1.227 -12.579 1.00 0.00 C ATOM 19 CG2 VAL A 4 -0.414 -0.778 -14.689 1.00 0.00 C ATOM 0 H VAL A 4 1.089 -0.179 -16.295 1.00 0.00 H new ATOM 0 HA VAL A 4 2.695 -0.269 -13.966 1.00 0.00 H new ATOM 0 HB VAL A 4 0.784 -2.464 -14.379 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.117 -1.569 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.647 -1.807 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.974 -0.172 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.297 -1.196 -14.205 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.388 0.300 -14.528 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.455 -0.984 -15.759 1.00 0.00 H new ATOM 29 N LYS A 5 3.551 -2.781 -13.863 1.00 0.00 N ATOM 30 CA LYS A 5 4.095 -4.137 -13.899 1.00 0.00 C ATOM 31 C LYS A 5 3.296 -5.128 -13.049 1.00 0.00 C ATOM 32 O LYS A 5 3.494 -6.330 -13.197 1.00 0.00 O ATOM 33 CB LYS A 5 5.603 -4.160 -13.615 1.00 0.00 C ATOM 34 CG LYS A 5 5.955 -4.076 -12.121 1.00 0.00 C ATOM 35 CD LYS A 5 7.457 -4.308 -11.895 1.00 0.00 C ATOM 36 CE LYS A 5 8.291 -3.084 -12.292 1.00 0.00 C ATOM 37 NZ LYS A 5 9.723 -3.292 -11.988 1.00 0.00 N ATOM 0 H LYS A 5 3.611 -2.336 -12.947 1.00 0.00 H new ATOM 0 HA LYS A 5 3.977 -4.492 -14.923 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.027 -5.076 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.074 -3.327 -14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.672 -3.098 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.381 -4.818 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.634 -4.543 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.782 -5.172 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.167 -2.886 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.927 -2.205 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.263 -2.448 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.841 -3.457 -10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.073 -4.117 -12.515 1.00 0.00 H new ATOM 47 N TYR A 6 2.388 -4.620 -12.200 1.00 0.00 N ATOM 48 CA TYR A 6 1.559 -5.389 -11.276 1.00 0.00 C ATOM 49 C TYR A 6 2.372 -6.119 -10.214 1.00 0.00 C ATOM 50 O TYR A 6 3.558 -6.392 -10.387 1.00 0.00 O ATOM 51 CB TYR A 6 0.666 -6.378 -12.025 1.00 0.00 C ATOM 52 CG TYR A 6 -0.150 -5.760 -13.146 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.310 -5.030 -12.848 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.309 -5.825 -14.477 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.985 -4.326 -13.860 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.367 -5.122 -15.490 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.507 -4.367 -15.178 1.00 0.00 C ATOM 58 OH TYR A 6 -2.152 -3.673 -16.153 1.00 0.00 O ATOM 0 H TYR A 6 2.209 -3.618 -12.141 1.00 0.00 H new ATOM 0 HA TYR A 6 0.932 -4.662 -10.760 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.290 -7.170 -12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.013 -6.847 -11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.686 -5.009 -11.836 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.181 -6.415 -14.719 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.870 -3.754 -13.623 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.008 -5.163 -16.508 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.692 -3.807 -17.008 1.00 0.00 H new ATOM 67 N TYR A 7 1.721 -6.432 -9.095 1.00 0.00 N ATOM 68 CA TYR A 7 2.340 -7.244 -8.069 1.00 0.00 C ATOM 69 C TYR A 7 1.256 -8.117 -7.459 1.00 0.00 C ATOM 70 O TYR A 7 0.323 -7.607 -6.852 1.00 0.00 O ATOM 71 CB TYR A 7 3.038 -6.359 -7.035 1.00 0.00 C ATOM 72 CG TYR A 7 4.024 -5.362 -7.609 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.365 -5.739 -7.772 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.580 -4.126 -8.124 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.301 -4.804 -8.237 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.486 -3.289 -8.801 1.00 0.00 C ATOM 77 CZ TYR A 7 5.859 -3.569 -8.734 1.00 0.00 C ATOM 78 OH TYR A 7 6.767 -2.658 -9.176 1.00 0.00 O ATOM 0 H TYR A 7 0.769 -6.133 -8.883 1.00 0.00 H new ATOM 0 HA TYR A 7 3.116 -7.885 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.279 -5.815 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.562 -6.999 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.676 -6.747 -7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.551 -3.824 -7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.356 -5.033 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.129 -2.441 -9.366 1.00 0.00 H new ATOM 0 HH TYR A 7 6.300 -1.856 -9.489 1.00 0.00 H new ATOM 87 N THR A 8 1.348 -9.427 -7.662 1.00 0.00 N ATOM 88 CA THR A 8 0.388 -10.356 -7.080 1.00 0.00 C ATOM 89 C THR A 8 0.439 -10.203 -5.566 1.00 0.00 C ATOM 90 O THR A 8 1.498 -9.969 -4.990 1.00 0.00 O ATOM 91 CB THR A 8 0.715 -11.799 -7.479 1.00 0.00 C ATOM 92 OG1 THR A 8 2.065 -12.076 -7.165 1.00 0.00 O ATOM 93 CG2 THR A 8 0.503 -12.017 -8.978 1.00 0.00 C ATOM 0 H THR A 8 2.076 -9.868 -8.224 1.00 0.00 H new ATOM 0 HA THR A 8 -0.612 -10.131 -7.450 1.00 0.00 H new ATOM 0 HB THR A 8 0.049 -12.465 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.277 -12.999 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.743 -13.049 -9.233 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.537 -11.812 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.152 -11.345 -9.539 1.00 0.00 H new ATOM 101 N LEU A 9 -0.701 -10.332 -4.907 1.00 0.00 N ATOM 102 CA LEU A 9 -0.845 -10.308 -3.461 1.00 0.00 C ATOM 103 C LEU A 9 0.152 -11.258 -2.784 1.00 0.00 C ATOM 104 O LEU A 9 0.623 -10.970 -1.699 1.00 0.00 O ATOM 105 CB LEU A 9 -2.262 -10.752 -3.187 1.00 0.00 C ATOM 106 CG LEU A 9 -2.938 -10.400 -1.851 1.00 0.00 C ATOM 107 CD1 LEU A 9 -2.185 -10.860 -0.603 1.00 0.00 C ATOM 108 CD2 LEU A 9 -3.189 -8.896 -1.766 1.00 0.00 C ATOM 0 H LEU A 9 -1.591 -10.462 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.642 -9.314 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.887 -10.347 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.285 -11.837 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.876 -10.956 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.741 -10.565 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.078 -11.945 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.198 -10.399 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.668 -8.660 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.240 -8.364 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.838 -8.589 -2.586 1.00 0.00 H new ATOM 119 N GLU A 10 0.487 -12.388 -3.416 1.00 0.00 N ATOM 120 CA GLU A 10 1.611 -13.229 -2.993 1.00 0.00 C ATOM 121 C GLU A 10 2.857 -12.360 -2.751 1.00 0.00 C ATOM 122 O GLU A 10 3.479 -12.404 -1.688 1.00 0.00 O ATOM 123 CB GLU A 10 1.883 -14.311 -4.063 1.00 0.00 C ATOM 124 CG GLU A 10 3.378 -14.681 -4.059 1.00 0.00 C ATOM 125 CD GLU A 10 3.795 -15.956 -4.770 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.918 -16.650 -5.321 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.027 -16.186 -4.728 1.00 0.00 O ATOM 0 H GLU A 10 -0.011 -12.744 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 10 1.362 -13.728 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.279 -15.196 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.592 -13.944 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.929 -13.853 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.701 -14.756 -3.021 1.00 0.00 H new ATOM 132 N GLU A 11 3.210 -11.553 -3.749 1.00 0.00 N ATOM 133 CA GLU A 11 4.291 -10.596 -3.674 1.00 0.00 C ATOM 134 C GLU A 11 3.964 -9.536 -2.638 1.00 0.00 C ATOM 135 O GLU A 11 4.754 -9.303 -1.738 1.00 0.00 O ATOM 136 CB GLU A 11 4.613 -10.006 -5.062 1.00 0.00 C ATOM 137 CG GLU A 11 6.134 -9.955 -5.310 1.00 0.00 C ATOM 138 CD GLU A 11 6.802 -11.327 -5.269 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.115 -12.327 -5.570 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.972 -11.403 -4.845 1.00 0.00 O ATOM 0 H GLU A 11 2.735 -11.553 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 11 5.201 -11.101 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.136 -10.609 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.196 -9.002 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.321 -9.497 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.595 -9.312 -4.560 1.00 0.00 H new ATOM 145 N ILE A 12 2.773 -8.943 -2.679 1.00 0.00 N ATOM 146 CA ILE A 12 2.416 -7.930 -1.692 1.00 0.00 C ATOM 147 C ILE A 12 2.592 -8.442 -0.255 1.00 0.00 C ATOM 148 O ILE A 12 3.135 -7.736 0.596 1.00 0.00 O ATOM 149 CB ILE A 12 1.033 -7.314 -1.974 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.785 -6.997 -3.463 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.900 -5.991 -1.222 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.629 -6.485 -3.727 1.00 0.00 C ATOM 0 H ILE A 12 2.051 -9.142 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 12 3.123 -7.106 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 12 0.309 -8.062 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.506 -6.251 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.959 -7.895 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.079 -5.556 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.006 -6.168 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.678 -5.304 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.748 -6.278 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.353 -7.241 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.797 -5.571 -3.158 1.00 0.00 H new ATOM 163 N GLN A 13 2.279 -9.715 -0.006 1.00 0.00 N ATOM 164 CA GLN A 13 2.537 -10.313 1.302 1.00 0.00 C ATOM 165 C GLN A 13 4.016 -10.330 1.687 1.00 0.00 C ATOM 166 O GLN A 13 4.357 -10.231 2.861 1.00 0.00 O ATOM 167 CB GLN A 13 1.990 -11.740 1.358 1.00 0.00 C ATOM 168 CG GLN A 13 0.539 -11.734 1.853 1.00 0.00 C ATOM 169 CD GLN A 13 0.355 -11.237 3.290 1.00 0.00 C ATOM 170 OE1 GLN A 13 1.301 -10.993 4.033 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.890 -11.066 3.709 1.00 0.00 N ATOM 0 H GLN A 13 1.851 -10.344 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 13 2.022 -9.678 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.042 -12.196 0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.606 -12.347 2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.055 -11.108 1.188 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.140 -12.746 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.671 -11.271 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.068 -10.729 4.655 1.00 0.00 H new ATOM 178 N LYS A 14 4.914 -10.459 0.714 1.00 0.00 N ATOM 179 CA LYS A 14 6.339 -10.492 0.989 1.00 0.00 C ATOM 180 C LYS A 14 6.848 -9.098 1.415 1.00 0.00 C ATOM 181 O LYS A 14 7.946 -8.977 1.958 1.00 0.00 O ATOM 182 CB LYS A 14 7.056 -11.005 -0.267 1.00 0.00 C ATOM 183 CG LYS A 14 6.769 -12.486 -0.559 1.00 0.00 C ATOM 184 CD LYS A 14 7.279 -12.855 -1.963 1.00 0.00 C ATOM 185 CE LYS A 14 6.628 -14.150 -2.471 1.00 0.00 C ATOM 186 NZ LYS A 14 6.697 -14.281 -3.946 1.00 0.00 N ATOM 0 H LYS A 14 4.674 -10.542 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 14 6.549 -11.164 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.750 -10.405 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.130 -10.865 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.254 -13.113 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.698 -12.678 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.064 -12.041 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.362 -12.975 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.122 -15.006 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.585 -14.176 -2.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.305 -15.201 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.146 -13.518 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.688 -14.216 -4.254 1.00 0.00 H new ATOM 196 N HIS A 15 6.048 -8.046 1.185 1.00 0.00 N ATOM 197 CA HIS A 15 6.326 -6.671 1.578 1.00 0.00 C ATOM 198 C HIS A 15 5.255 -6.158 2.554 1.00 0.00 C ATOM 199 O HIS A 15 4.393 -5.356 2.206 1.00 0.00 O ATOM 200 CB HIS A 15 6.377 -5.800 0.326 1.00 0.00 C ATOM 201 CG HIS A 15 7.345 -6.249 -0.749 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.645 -5.835 -0.974 1.00 0.00 N ATOM 203 CD2 HIS A 15 7.008 -7.073 -1.785 1.00 0.00 C ATOM 204 CE1 HIS A 15 9.070 -6.423 -2.105 1.00 0.00 C ATOM 205 NE2 HIS A 15 8.110 -7.191 -2.634 1.00 0.00 N ATOM 0 H HIS A 15 5.156 -8.142 0.700 1.00 0.00 H new ATOM 0 HA HIS A 15 7.287 -6.627 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.377 -5.758 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.638 -4.784 0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.050 -7.552 -1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.054 -6.293 -2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.171 -7.750 -3.485 1.00 0.00 H new ATOM 212 N ASN A 16 5.342 -6.596 3.806 1.00 0.00 N ATOM 213 CA ASN A 16 4.358 -6.298 4.847 1.00 0.00 C ATOM 214 C ASN A 16 4.992 -5.855 6.176 1.00 0.00 C ATOM 215 O ASN A 16 4.349 -5.948 7.218 1.00 0.00 O ATOM 216 CB ASN A 16 3.429 -7.514 5.013 1.00 0.00 C ATOM 217 CG ASN A 16 4.127 -8.754 5.569 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.286 -8.713 5.970 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.441 -9.890 5.604 1.00 0.00 N ATOM 0 H ASN A 16 6.112 -7.179 4.134 1.00 0.00 H new ATOM 0 HA ASN A 16 3.771 -5.437 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.607 -7.243 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.991 -7.759 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.877 -10.738 5.966 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.478 -9.915 5.269 1.00 0.00 H new ATOM 225 N ASN A 17 6.246 -5.384 6.170 1.00 0.00 N ATOM 226 CA ASN A 17 6.925 -4.999 7.407 1.00 0.00 C ATOM 227 C ASN A 17 8.052 -3.995 7.106 1.00 0.00 C ATOM 228 O ASN A 17 8.182 -3.542 5.973 1.00 0.00 O ATOM 229 CB ASN A 17 7.422 -6.291 8.091 1.00 0.00 C ATOM 230 CG ASN A 17 7.725 -6.144 9.579 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.726 -5.048 10.131 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.017 -7.244 10.254 1.00 0.00 N ATOM 0 H ASN A 17 6.805 -5.262 5.326 1.00 0.00 H new ATOM 0 HA ASN A 17 6.250 -4.486 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.669 -7.068 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.323 -6.633 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.247 -7.188 11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.012 -8.148 9.782 1.00 0.00 H new ATOM 238 N SER A 18 8.915 -3.687 8.079 1.00 0.00 N ATOM 239 CA SER A 18 10.156 -2.926 7.908 1.00 0.00 C ATOM 240 C SER A 18 10.965 -3.381 6.679 1.00 0.00 C ATOM 241 O SER A 18 11.648 -2.581 6.049 1.00 0.00 O ATOM 242 CB SER A 18 10.959 -3.045 9.206 1.00 0.00 C ATOM 243 OG SER A 18 10.102 -2.743 10.297 1.00 0.00 O ATOM 0 H SER A 18 8.762 -3.973 9.046 1.00 0.00 H new ATOM 0 HA SER A 18 9.918 -1.880 7.713 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.363 -4.052 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.807 -2.361 9.190 1.00 0.00 H new ATOM 0 HG SER A 18 10.627 -2.352 11.027 1.00 0.00 H new ATOM 248 N LYS A 19 10.856 -4.674 6.342 1.00 0.00 N ATOM 249 CA LYS A 19 11.278 -5.294 5.086 1.00 0.00 C ATOM 250 C LYS A 19 11.102 -4.353 3.892 1.00 0.00 C ATOM 251 O LYS A 19 12.006 -4.115 3.093 1.00 0.00 O ATOM 252 CB LYS A 19 10.316 -6.480 4.867 1.00 0.00 C ATOM 253 CG LYS A 19 10.426 -7.240 3.531 1.00 0.00 C ATOM 254 CD LYS A 19 11.787 -7.880 3.198 1.00 0.00 C ATOM 255 CE LYS A 19 12.858 -6.976 2.558 1.00 0.00 C ATOM 256 NZ LYS A 19 12.353 -6.180 1.414 1.00 0.00 N ATOM 0 H LYS A 19 10.445 -5.354 6.982 1.00 0.00 H new ATOM 0 HA LYS A 19 12.330 -5.571 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.471 -7.194 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.295 -6.109 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.672 -8.027 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.171 -6.550 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.200 -8.291 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.609 -8.719 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.251 -6.299 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.690 -7.594 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.154 -5.867 0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.712 -6.765 0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.839 -5.349 1.769 1.00 0.00 H new ATOM 266 N SER A 20 9.844 -3.956 3.757 1.00 0.00 N ATOM 267 CA SER A 20 9.174 -3.238 2.688 1.00 0.00 C ATOM 268 C SER A 20 7.704 -3.224 3.102 1.00 0.00 C ATOM 269 O SER A 20 7.188 -4.275 3.487 1.00 0.00 O ATOM 270 CB SER A 20 9.244 -3.983 1.355 1.00 0.00 C ATOM 271 OG SER A 20 10.551 -4.255 0.881 1.00 0.00 O ATOM 0 H SER A 20 9.180 -4.162 4.503 1.00 0.00 H new ATOM 0 HA SER A 20 9.632 -2.258 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.709 -4.927 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.717 -3.397 0.602 1.00 0.00 H new ATOM 0 HG SER A 20 10.501 -4.859 0.111 1.00 0.00 H new ATOM 276 N THR A 21 7.045 -2.073 3.066 1.00 0.00 N ATOM 277 CA THR A 21 5.716 -1.914 3.644 1.00 0.00 C ATOM 278 C THR A 21 4.720 -1.554 2.552 1.00 0.00 C ATOM 279 O THR A 21 4.468 -0.374 2.295 1.00 0.00 O ATOM 280 CB THR A 21 5.783 -0.876 4.773 1.00 0.00 C ATOM 281 OG1 THR A 21 6.937 -1.118 5.551 1.00 0.00 O ATOM 282 CG2 THR A 21 4.579 -0.994 5.699 1.00 0.00 C ATOM 0 H THR A 21 7.415 -1.225 2.637 1.00 0.00 H new ATOM 0 HA THR A 21 5.367 -2.848 4.084 1.00 0.00 H new ATOM 0 HB THR A 21 5.801 0.115 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.127 -2.079 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.653 -0.247 6.489 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.664 -0.830 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.557 -1.990 6.142 1.00 0.00 H new ATOM 290 N TRP A 22 4.187 -2.589 1.895 1.00 0.00 N ATOM 291 CA TRP A 22 3.212 -2.446 0.828 1.00 0.00 C ATOM 292 C TRP A 22 1.803 -2.349 1.347 1.00 0.00 C ATOM 293 O TRP A 22 1.539 -2.586 2.513 1.00 0.00 O ATOM 294 CB TRP A 22 3.397 -3.496 -0.275 1.00 0.00 C ATOM 295 CG TRP A 22 4.637 -3.419 -1.110 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.717 -2.645 -0.886 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.948 -4.180 -2.313 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.647 -2.841 -1.884 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.230 -3.790 -2.793 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.266 -5.157 -3.059 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.774 -4.325 -3.971 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.885 -5.831 -4.115 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.111 -5.380 -4.610 1.00 0.00 C ATOM 0 H TRP A 22 4.429 -3.559 2.098 1.00 0.00 H new ATOM 0 HA TRP A 22 3.405 -1.487 0.347 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.368 -4.481 0.191 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.538 -3.434 -0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.836 -1.972 -0.050 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.536 -2.344 -1.943 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.242 -5.392 -2.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.692 -3.928 -4.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.415 -6.701 -4.549 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.546 -5.844 -5.483 1.00 0.00 H new ATOM 313 N LEU A 23 0.899 -1.933 0.476 1.00 0.00 N ATOM 314 CA LEU A 23 -0.503 -1.855 0.786 1.00 0.00 C ATOM 315 C LEU A 23 -1.336 -1.747 -0.485 1.00 0.00 C ATOM 316 O LEU A 23 -0.762 -1.449 -1.530 1.00 0.00 O ATOM 317 CB LEU A 23 -0.807 -0.701 1.743 1.00 0.00 C ATOM 318 CG LEU A 23 0.118 0.399 2.271 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.678 1.713 2.141 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.370 0.254 3.782 1.00 0.00 C ATOM 0 H LEU A 23 1.129 -1.639 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.778 -2.779 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.634 -0.166 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.203 -1.181 2.638 1.00 0.00 H new ATOM 0 HG LEU A 23 1.061 0.360 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.071 2.543 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.935 1.881 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.591 1.646 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.031 1.053 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.578 0.317 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.836 -0.711 3.982 1.00 0.00 H new ATOM 331 N ILE A 24 -2.662 -1.953 -0.395 1.00 0.00 N ATOM 332 CA ILE A 24 -3.581 -1.696 -1.511 1.00 0.00 C ATOM 333 C ILE A 24 -4.654 -0.662 -1.163 1.00 0.00 C ATOM 334 O ILE A 24 -5.494 -0.902 -0.295 1.00 0.00 O ATOM 335 CB ILE A 24 -4.255 -2.971 -2.054 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.264 -4.059 -2.481 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.230 -2.686 -3.208 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.818 -5.484 -2.358 1.00 0.00 C ATOM 0 H ILE A 24 -3.121 -2.300 0.447 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.945 -1.291 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.820 -3.351 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.968 -3.882 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.363 -3.976 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.674 -3.621 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.017 -2.016 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.691 -2.218 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.059 -6.198 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.087 -5.681 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.702 -5.586 -2.988 1.00 0.00 H new ATOM 349 N LEU A 25 -4.659 0.457 -1.892 1.00 0.00 N ATOM 350 CA LEU A 25 -5.661 1.514 -1.768 1.00 0.00 C ATOM 351 C LEU A 25 -6.343 1.663 -3.134 1.00 0.00 C ATOM 352 O LEU A 25 -5.775 2.257 -4.052 1.00 0.00 O ATOM 353 CB LEU A 25 -5.081 2.846 -1.242 1.00 0.00 C ATOM 354 CG LEU A 25 -3.938 2.724 -0.225 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.409 4.103 0.174 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.369 2.028 1.064 1.00 0.00 C ATOM 0 H LEU A 25 -3.951 0.656 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.395 1.233 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.724 3.426 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.889 3.416 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.170 2.132 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.600 3.988 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.036 4.619 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.214 4.686 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.521 1.969 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.173 2.595 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.720 1.022 0.834 1.00 0.00 H new ATOM 367 N HIS A 26 -7.538 1.089 -3.297 1.00 0.00 N ATOM 368 CA HIS A 26 -8.303 1.151 -4.545 1.00 0.00 C ATOM 369 C HIS A 26 -7.617 0.342 -5.675 1.00 0.00 C ATOM 370 O HIS A 26 -7.288 0.884 -6.729 1.00 0.00 O ATOM 371 CB HIS A 26 -8.564 2.626 -4.934 1.00 0.00 C ATOM 372 CG HIS A 26 -8.890 3.563 -3.786 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.150 3.845 -3.307 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.004 4.355 -3.096 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.022 4.783 -2.353 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.733 5.135 -2.192 1.00 0.00 N ATOM 0 H HIS A 26 -8.006 0.563 -2.559 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.272 0.678 -4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.683 3.007 -5.451 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.388 2.654 -5.646 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.022 3.419 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.932 4.372 -3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.844 5.199 -1.790 1.00 0.00 H new ATOM 383 N TYR A 27 -7.335 -0.948 -5.434 1.00 0.00 N ATOM 384 CA TYR A 27 -6.607 -1.884 -6.315 1.00 0.00 C ATOM 385 C TYR A 27 -5.125 -1.578 -6.563 1.00 0.00 C ATOM 386 O TYR A 27 -4.376 -2.463 -6.989 1.00 0.00 O ATOM 387 CB TYR A 27 -7.247 -2.046 -7.694 1.00 0.00 C ATOM 388 CG TYR A 27 -8.727 -2.364 -7.708 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.152 -3.665 -7.383 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.665 -1.411 -8.142 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.499 -4.030 -7.532 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.020 -1.769 -8.265 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.435 -3.076 -7.960 1.00 0.00 C ATOM 394 OH TYR A 27 -12.740 -3.428 -8.112 1.00 0.00 O ATOM 0 H TYR A 27 -7.626 -1.396 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.676 -2.799 -5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.088 -1.126 -8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.721 -2.839 -8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.438 -4.387 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.346 -0.407 -8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.814 -5.041 -7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.743 -1.037 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.256 -2.651 -8.413 1.00 0.00 H new ATOM 403 N LYS A 28 -4.714 -0.324 -6.373 1.00 0.00 N ATOM 404 CA LYS A 28 -3.352 0.097 -6.625 1.00 0.00 C ATOM 405 C LYS A 28 -2.455 -0.404 -5.493 1.00 0.00 C ATOM 406 O LYS A 28 -2.961 -0.623 -4.402 1.00 0.00 O ATOM 407 CB LYS A 28 -3.330 1.609 -6.826 1.00 0.00 C ATOM 408 CG LYS A 28 -3.708 1.905 -8.279 1.00 0.00 C ATOM 409 CD LYS A 28 -4.032 3.390 -8.423 1.00 0.00 C ATOM 410 CE LYS A 28 -3.923 3.861 -9.878 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.737 3.024 -10.782 1.00 0.00 N ATOM 0 H LYS A 28 -5.323 0.423 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.954 -0.339 -7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.030 2.093 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.341 2.008 -6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.887 1.634 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.568 1.303 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.040 3.579 -8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.352 3.972 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.248 4.899 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.880 3.831 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.990 3.572 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.191 2.185 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.604 2.725 -10.291 1.00 0.00 H new ATOM 421 N VAL A 29 -1.157 -0.595 -5.730 1.00 0.00 N ATOM 422 CA VAL A 29 -0.203 -1.048 -4.711 1.00 0.00 C ATOM 423 C VAL A 29 0.701 0.114 -4.302 1.00 0.00 C ATOM 424 O VAL A 29 1.152 0.874 -5.164 1.00 0.00 O ATOM 425 CB VAL A 29 0.631 -2.253 -5.162 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.611 -2.666 -4.059 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.246 -3.483 -5.323 1.00 0.00 C ATOM 0 H VAL A 29 -0.731 -0.439 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.782 -1.386 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 29 1.122 -1.954 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.196 -3.523 -4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.280 -1.835 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.055 -2.935 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.366 -4.326 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.720 -3.719 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.014 -3.287 -6.071 1.00 0.00 H new ATOM 437 N TYR A 30 0.966 0.231 -2.999 1.00 0.00 N ATOM 438 CA TYR A 30 1.567 1.372 -2.350 1.00 0.00 C ATOM 439 C TYR A 30 2.705 0.971 -1.411 1.00 0.00 C ATOM 440 O TYR A 30 2.403 0.334 -0.417 1.00 0.00 O ATOM 441 CB TYR A 30 0.413 1.918 -1.517 1.00 0.00 C ATOM 442 CG TYR A 30 -0.691 2.583 -2.309 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.701 1.772 -2.842 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.698 3.965 -2.571 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.718 2.333 -3.618 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.755 4.526 -3.318 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.775 3.710 -3.821 1.00 0.00 C ATOM 448 OH TYR A 30 -3.855 4.241 -4.456 1.00 0.00 O ATOM 0 H TYR A 30 0.750 -0.518 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 30 1.999 2.071 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.017 1.100 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.810 2.638 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.693 0.709 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.100 4.592 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.466 1.694 -4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.777 5.590 -3.503 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.613 3.624 -4.384 1.00 0.00 H new ATOM 457 N ASP A 31 3.954 1.380 -1.665 1.00 0.00 N ATOM 458 CA ASP A 31 5.153 1.018 -0.870 1.00 0.00 C ATOM 459 C ASP A 31 5.646 2.225 -0.069 1.00 0.00 C ATOM 460 O ASP A 31 6.163 3.183 -0.645 1.00 0.00 O ATOM 461 CB ASP A 31 6.307 0.506 -1.747 1.00 0.00 C ATOM 462 CG ASP A 31 7.527 0.025 -0.940 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.690 0.425 0.239 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.274 -0.801 -1.510 1.00 0.00 O ATOM 0 H ASP A 31 4.174 1.991 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 31 4.849 0.214 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.945 -0.315 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.620 1.302 -2.423 1.00 0.00 H new ATOM 468 N LEU A 32 5.506 2.172 1.256 1.00 0.00 N ATOM 469 CA LEU A 32 5.629 3.365 2.088 1.00 0.00 C ATOM 470 C LEU A 32 6.681 3.284 3.194 1.00 0.00 C ATOM 471 O LEU A 32 6.675 4.116 4.098 1.00 0.00 O ATOM 472 CB LEU A 32 4.236 3.635 2.655 1.00 0.00 C ATOM 473 CG LEU A 32 3.160 3.422 1.584 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.817 3.753 2.160 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.249 4.346 0.382 1.00 0.00 C ATOM 0 H LEU A 32 5.308 1.316 1.774 1.00 0.00 H new ATOM 0 HA LEU A 32 5.993 4.185 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.049 2.974 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.184 4.657 3.031 1.00 0.00 H new ATOM 0 HG LEU A 32 3.305 2.388 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.049 3.603 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.617 3.104 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.807 4.793 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.444 4.114 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.157 5.381 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.210 4.207 -0.113 1.00 0.00 H new ATOM 486 N THR A 33 7.599 2.322 3.096 1.00 0.00 N ATOM 487 CA THR A 33 8.617 1.928 4.080 1.00 0.00 C ATOM 488 C THR A 33 9.400 3.067 4.766 1.00 0.00 C ATOM 489 O THR A 33 9.875 2.890 5.884 1.00 0.00 O ATOM 490 CB THR A 33 9.560 0.939 3.372 1.00 0.00 C ATOM 491 OG1 THR A 33 8.807 0.032 2.582 1.00 0.00 O ATOM 492 CG2 THR A 33 10.359 0.102 4.373 1.00 0.00 C ATOM 0 H THR A 33 7.657 1.747 2.255 1.00 0.00 H new ATOM 0 HA THR A 33 8.091 1.480 4.923 1.00 0.00 H new ATOM 0 HB THR A 33 10.240 1.534 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.767 0.358 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.013 -0.584 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.961 0.760 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.673 -0.468 5.000 1.00 0.00 H new ATOM 500 N LYS A 34 9.529 4.239 4.136 1.00 0.00 N ATOM 501 CA LYS A 34 10.075 5.451 4.765 1.00 0.00 C ATOM 502 C LYS A 34 8.986 6.397 5.249 1.00 0.00 C ATOM 503 O LYS A 34 9.123 7.019 6.292 1.00 0.00 O ATOM 504 CB LYS A 34 10.887 6.227 3.726 1.00 0.00 C ATOM 505 CG LYS A 34 11.984 5.382 3.081 1.00 0.00 C ATOM 506 CD LYS A 34 13.388 5.978 3.284 1.00 0.00 C ATOM 507 CE LYS A 34 13.902 5.732 4.715 1.00 0.00 C ATOM 508 NZ LYS A 34 13.968 6.965 5.526 1.00 0.00 N ATOM 0 H LYS A 34 9.255 4.377 3.163 1.00 0.00 H new ATOM 0 HA LYS A 34 10.674 5.123 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.217 6.597 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.338 7.099 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.956 4.376 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.784 5.288 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.080 5.536 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.362 7.049 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.250 5.013 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.894 5.282 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.189 6.720 6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.710 7.589 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.051 7.455 5.488 1.00 0.00 H new ATOM 518 N PHE A 35 7.893 6.503 4.496 1.00 0.00 N ATOM 519 CA PHE A 35 6.792 7.386 4.887 1.00 0.00 C ATOM 520 C PHE A 35 6.332 7.074 6.315 1.00 0.00 C ATOM 521 O PHE A 35 5.962 7.967 7.071 1.00 0.00 O ATOM 522 CB PHE A 35 5.640 7.299 3.895 1.00 0.00 C ATOM 523 CG PHE A 35 4.468 8.187 4.257 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.682 9.550 4.540 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.164 7.666 4.284 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.595 10.407 4.761 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.077 8.518 4.538 1.00 0.00 C ATOM 528 CZ PHE A 35 2.289 9.895 4.731 1.00 0.00 C ATOM 0 H PHE A 35 7.745 5.997 3.623 1.00 0.00 H new ATOM 0 HA PHE A 35 7.155 8.414 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.002 7.573 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.299 6.266 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.689 9.937 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.998 6.613 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.762 11.457 4.953 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.076 8.115 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.446 10.559 4.856 1.00 0.00 H new ATOM 537 N LEU A 36 6.429 5.792 6.678 1.00 0.00 N ATOM 538 CA LEU A 36 6.354 5.270 8.039 1.00 0.00 C ATOM 539 C LEU A 36 6.889 6.269 9.091 1.00 0.00 C ATOM 540 O LEU A 36 6.214 6.570 10.070 1.00 0.00 O ATOM 541 CB LEU A 36 7.217 3.996 8.048 1.00 0.00 C ATOM 542 CG LEU A 36 6.780 2.873 7.107 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.369 1.565 7.644 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.265 2.721 6.957 1.00 0.00 C ATOM 0 H LEU A 36 6.570 5.052 5.990 1.00 0.00 H new ATOM 0 HA LEU A 36 5.315 5.079 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.240 4.275 7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.235 3.603 9.064 1.00 0.00 H new ATOM 0 HG LEU A 36 7.147 3.124 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.076 0.740 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.456 1.639 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.995 1.384 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.048 1.902 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.823 2.508 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.844 3.646 6.562 1.00 0.00 H new ATOM 555 N GLU A 37 8.098 6.791 8.863 1.00 0.00 N ATOM 556 CA GLU A 37 8.814 7.745 9.705 1.00 0.00 C ATOM 557 C GLU A 37 8.061 9.080 9.890 1.00 0.00 C ATOM 558 O GLU A 37 8.151 9.709 10.943 1.00 0.00 O ATOM 559 CB GLU A 37 10.170 8.021 9.029 1.00 0.00 C ATOM 560 CG GLU A 37 11.064 6.782 8.811 1.00 0.00 C ATOM 561 CD GLU A 37 12.205 7.059 7.840 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.006 7.820 6.867 1.00 0.00 O ATOM 563 OE2 GLU A 37 13.294 6.460 7.985 1.00 0.00 O ATOM 0 H GLU A 37 8.634 6.540 8.032 1.00 0.00 H new ATOM 0 HA GLU A 37 8.922 7.312 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.986 8.490 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.719 8.742 9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.474 6.459 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.457 5.960 8.431 1.00 0.00 H new ATOM 568 N GLU A 38 7.370 9.535 8.841 1.00 0.00 N ATOM 569 CA GLU A 38 6.779 10.865 8.711 1.00 0.00 C ATOM 570 C GLU A 38 5.288 10.892 9.077 1.00 0.00 C ATOM 571 O GLU A 38 4.794 11.815 9.723 1.00 0.00 O ATOM 572 CB GLU A 38 6.930 11.314 7.245 1.00 0.00 C ATOM 573 CG GLU A 38 8.316 11.037 6.647 1.00 0.00 C ATOM 574 CD GLU A 38 8.457 11.610 5.242 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.904 10.978 4.317 1.00 0.00 O ATOM 576 OE2 GLU A 38 9.101 12.674 5.122 1.00 0.00 O ATOM 0 H GLU A 38 7.201 8.955 8.020 1.00 0.00 H new ATOM 0 HA GLU A 38 7.297 11.530 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.177 10.807 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.724 12.382 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.082 11.467 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.490 9.961 6.619 1.00 0.00 H new ATOM 581 N HIS A 39 4.560 9.899 8.569 1.00 0.00 N ATOM 582 CA HIS A 39 3.104 9.811 8.565 1.00 0.00 C ATOM 583 C HIS A 39 2.425 10.061 9.927 1.00 0.00 C ATOM 584 O HIS A 39 2.585 9.257 10.846 1.00 0.00 O ATOM 585 CB HIS A 39 2.744 8.421 8.045 1.00 0.00 C ATOM 586 CG HIS A 39 1.267 8.146 7.991 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.677 7.021 8.501 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.312 8.852 7.304 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.600 7.032 8.093 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.885 8.136 7.367 1.00 0.00 N ATOM 0 H HIS A 39 4.996 9.091 8.125 1.00 0.00 H new ATOM 0 HA HIS A 39 2.728 10.613 7.929 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.161 8.300 7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.218 7.673 8.681 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.124 6.310 9.081 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.460 9.797 6.802 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.314 6.253 8.317 1.00 0.00 H new ATOM 597 N PRO A 40 1.575 11.099 10.059 1.00 0.00 N ATOM 598 CA PRO A 40 0.885 11.406 11.311 1.00 0.00 C ATOM 599 C PRO A 40 -0.108 10.314 11.737 1.00 0.00 C ATOM 600 O PRO A 40 -0.368 10.148 12.924 1.00 0.00 O ATOM 601 CB PRO A 40 0.210 12.764 11.087 1.00 0.00 C ATOM 602 CG PRO A 40 -0.011 12.796 9.577 1.00 0.00 C ATOM 603 CD PRO A 40 1.212 12.066 9.034 1.00 0.00 C ATOM 0 HA PRO A 40 1.589 11.446 12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.730 12.842 11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.842 13.588 11.420 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.937 12.296 9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.072 13.817 9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.986 11.571 8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.030 12.760 8.842 1.00 0.00 H new ATOM 608 N GLY A 41 -0.632 9.532 10.788 1.00 0.00 N ATOM 609 CA GLY A 41 -1.408 8.326 11.088 1.00 0.00 C ATOM 610 C GLY A 41 -0.602 7.238 11.817 1.00 0.00 C ATOM 611 O GLY A 41 -1.200 6.308 12.358 1.00 0.00 O ATOM 0 H GLY A 41 -0.530 9.718 9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.267 8.600 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.798 7.915 10.157 1.00 0.00 H new ATOM 615 N GLY A 42 0.737 7.334 11.806 1.00 0.00 N ATOM 616 CA GLY A 42 1.659 6.446 12.498 1.00 0.00 C ATOM 617 C GLY A 42 2.359 5.502 11.521 1.00 0.00 C ATOM 618 O GLY A 42 1.869 5.273 10.410 1.00 0.00 O ATOM 0 H GLY A 42 1.219 8.069 11.288 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.403 7.036 13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.117 5.865 13.244 1.00 0.00 H new ATOM 622 N GLU A 43 3.492 4.940 11.941 1.00 0.00 N ATOM 623 CA GLU A 43 4.123 3.839 11.234 1.00 0.00 C ATOM 624 C GLU A 43 3.393 2.560 11.556 1.00 0.00 C ATOM 625 O GLU A 43 2.974 1.830 10.661 1.00 0.00 O ATOM 626 CB GLU A 43 5.590 3.582 11.626 1.00 0.00 C ATOM 627 CG GLU A 43 6.008 3.254 13.075 1.00 0.00 C ATOM 628 CD GLU A 43 5.536 4.241 14.139 1.00 0.00 C ATOM 629 OE1 GLU A 43 4.301 4.292 14.347 1.00 0.00 O ATOM 630 OE2 GLU A 43 6.404 4.933 14.709 1.00 0.00 O ATOM 0 H GLU A 43 3.993 5.238 12.778 1.00 0.00 H new ATOM 0 HA GLU A 43 4.086 4.123 10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.941 2.758 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.153 4.467 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.627 2.265 13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.096 3.197 13.116 1.00 0.00 H new ATOM 635 N GLU A 44 3.231 2.291 12.852 1.00 0.00 N ATOM 636 CA GLU A 44 2.872 0.959 13.256 1.00 0.00 C ATOM 637 C GLU A 44 1.471 0.619 12.757 1.00 0.00 C ATOM 638 O GLU A 44 1.176 -0.515 12.414 1.00 0.00 O ATOM 639 CB GLU A 44 2.922 0.752 14.778 1.00 0.00 C ATOM 640 CG GLU A 44 4.315 0.770 15.432 1.00 0.00 C ATOM 641 CD GLU A 44 5.235 -0.356 14.972 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.744 -1.295 14.306 1.00 0.00 O ATOM 643 OE2 GLU A 44 6.442 -0.309 15.291 1.00 0.00 O ATOM 0 H GLU A 44 3.342 2.965 13.610 1.00 0.00 H new ATOM 0 HA GLU A 44 3.613 0.296 12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.316 1.527 15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.451 -0.204 15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.793 1.726 15.217 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.197 0.709 16.514 1.00 0.00 H new ATOM 648 N HIS A 45 0.608 1.630 12.698 1.00 0.00 N ATOM 649 CA HIS A 45 -0.735 1.530 12.153 1.00 0.00 C ATOM 650 C HIS A 45 -0.725 1.339 10.629 1.00 0.00 C ATOM 651 O HIS A 45 -1.550 0.631 10.058 1.00 0.00 O ATOM 652 CB HIS A 45 -1.461 2.808 12.570 1.00 0.00 C ATOM 653 CG HIS A 45 -2.919 2.898 12.187 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.674 4.046 12.266 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.763 1.870 11.840 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.945 3.712 11.977 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.044 2.407 11.687 1.00 0.00 N ATOM 0 H HIS A 45 0.834 2.565 13.038 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.248 0.650 12.541 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.384 2.909 13.653 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.938 3.658 12.132 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.333 4.978 12.500 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.486 0.834 11.709 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.775 4.403 11.978 1.00 0.00 H new ATOM 664 N LEU A 46 0.251 1.940 9.955 1.00 0.00 N ATOM 665 CA LEU A 46 0.438 1.757 8.525 1.00 0.00 C ATOM 666 C LEU A 46 1.014 0.359 8.245 1.00 0.00 C ATOM 667 O LEU A 46 0.696 -0.274 7.242 1.00 0.00 O ATOM 668 CB LEU A 46 1.306 2.927 8.032 1.00 0.00 C ATOM 669 CG LEU A 46 1.419 3.099 6.514 1.00 0.00 C ATOM 670 CD1 LEU A 46 0.040 3.136 5.861 1.00 0.00 C ATOM 671 CD2 LEU A 46 2.100 4.443 6.221 1.00 0.00 C ATOM 0 H LEU A 46 0.931 2.566 10.386 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.499 1.783 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.906 3.850 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.310 2.802 8.437 1.00 0.00 H new ATOM 0 HG LEU A 46 1.988 2.259 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.151 3.259 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.486 2.204 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.531 3.972 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.187 4.579 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.504 5.252 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.093 4.453 6.670 1.00 0.00 H new ATOM 682 N ARG A 47 1.806 -0.153 9.190 1.00 0.00 N ATOM 683 CA ARG A 47 2.462 -1.456 9.159 1.00 0.00 C ATOM 684 C ARG A 47 1.463 -2.577 9.445 1.00 0.00 C ATOM 685 O ARG A 47 1.418 -3.585 8.750 1.00 0.00 O ATOM 686 CB ARG A 47 3.553 -1.404 10.229 1.00 0.00 C ATOM 687 CG ARG A 47 4.608 -2.516 10.205 1.00 0.00 C ATOM 688 CD ARG A 47 5.291 -2.449 11.578 1.00 0.00 C ATOM 689 NE ARG A 47 6.619 -3.086 11.620 1.00 0.00 N ATOM 690 CZ ARG A 47 7.465 -2.965 12.650 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.040 -2.492 13.807 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.744 -3.290 12.528 1.00 0.00 N ATOM 0 H ARG A 47 2.017 0.362 10.045 1.00 0.00 H new ATOM 0 HA ARG A 47 2.884 -1.666 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.068 -0.447 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.070 -1.417 11.206 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.149 -3.491 10.040 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.326 -2.361 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.391 -1.404 11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.647 -2.927 12.316 1.00 0.00 H new ATOM 0 HE ARG A 47 6.909 -3.650 10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.064 -2.217 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.688 -2.401 14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.099 -3.639 11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.374 -3.191 13.324 1.00 0.00 H new ATOM 703 N GLU A 48 0.645 -2.353 10.469 1.00 0.00 N ATOM 704 CA GLU A 48 -0.528 -3.153 10.817 1.00 0.00 C ATOM 705 C GLU A 48 -1.392 -3.455 9.581 1.00 0.00 C ATOM 706 O GLU A 48 -1.757 -4.602 9.326 1.00 0.00 O ATOM 707 CB GLU A 48 -1.325 -2.349 11.846 1.00 0.00 C ATOM 708 CG GLU A 48 -2.619 -3.041 12.312 1.00 0.00 C ATOM 709 CD GLU A 48 -3.862 -2.212 12.002 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.170 -2.076 10.797 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.472 -1.721 12.973 1.00 0.00 O ATOM 0 H GLU A 48 0.787 -1.572 11.110 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.220 -4.117 11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.693 -2.160 12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.577 -1.379 11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.703 -4.014 11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.565 -3.223 13.385 1.00 0.00 H new ATOM 716 N GLN A 49 -1.679 -2.414 8.795 1.00 0.00 N ATOM 717 CA GLN A 49 -2.436 -2.538 7.554 1.00 0.00 C ATOM 718 C GLN A 49 -1.636 -3.260 6.468 1.00 0.00 C ATOM 719 O GLN A 49 -2.181 -4.019 5.670 1.00 0.00 O ATOM 720 CB GLN A 49 -2.735 -1.137 7.016 1.00 0.00 C ATOM 721 CG GLN A 49 -3.921 -0.398 7.628 1.00 0.00 C ATOM 722 CD GLN A 49 -5.236 -1.147 7.517 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.906 -1.092 6.499 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.665 -1.812 8.578 1.00 0.00 N ATOM 0 H GLN A 49 -1.390 -1.459 9.006 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.341 -3.103 7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.845 -0.523 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.903 -1.215 5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.712 -0.204 8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.024 0.571 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.094 -1.849 9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.567 -2.287 8.552 1.00 0.00 H new ATOM 731 N ALA A 50 -0.352 -2.913 6.382 1.00 0.00 N ATOM 732 CA ALA A 50 0.515 -3.284 5.275 1.00 0.00 C ATOM 733 C ALA A 50 0.504 -4.761 4.860 1.00 0.00 C ATOM 734 O ALA A 50 0.305 -5.677 5.655 1.00 0.00 O ATOM 735 CB ALA A 50 1.953 -2.885 5.600 1.00 0.00 C ATOM 0 H ALA A 50 0.119 -2.356 7.095 1.00 0.00 H new ATOM 0 HA ALA A 50 0.105 -2.743 4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.604 -3.163 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.005 -1.808 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.278 -3.400 6.504 1.00 0.00 H new ATOM 741 N GLY A 51 0.779 -4.967 3.573 1.00 0.00 N ATOM 742 CA GLY A 51 0.808 -6.266 2.908 1.00 0.00 C ATOM 743 C GLY A 51 -0.356 -6.432 1.926 1.00 0.00 C ATOM 744 O GLY A 51 -0.386 -7.387 1.152 1.00 0.00 O ATOM 0 H GLY A 51 0.997 -4.199 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.752 -6.380 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.767 -7.058 3.656 1.00 0.00 H new ATOM 748 N GLY A 52 -1.296 -5.482 1.932 1.00 0.00 N ATOM 749 CA GLY A 52 -2.345 -5.355 0.936 1.00 0.00 C ATOM 750 C GLY A 52 -3.462 -4.428 1.412 1.00 0.00 C ATOM 751 O GLY A 52 -3.201 -3.516 2.193 1.00 0.00 O ATOM 0 H GLY A 52 -1.343 -4.763 2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.922 -4.970 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.758 -6.339 0.714 1.00 0.00 H new ATOM 755 N ASP A 53 -4.661 -4.610 0.849 1.00 0.00 N ATOM 756 CA ASP A 53 -5.925 -3.966 1.175 1.00 0.00 C ATOM 757 C ASP A 53 -5.932 -3.216 2.501 1.00 0.00 C ATOM 758 O ASP A 53 -6.003 -3.774 3.595 1.00 0.00 O ATOM 759 CB ASP A 53 -7.154 -4.853 0.989 1.00 0.00 C ATOM 760 CG ASP A 53 -8.429 -3.998 1.016 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.306 -2.749 1.114 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.510 -4.608 0.913 1.00 0.00 O ATOM 0 H ASP A 53 -4.775 -5.274 0.084 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.011 -3.193 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.086 -5.389 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.193 -5.604 1.778 1.00 0.00 H new ATOM 766 N ALA A 54 -5.866 -1.911 2.318 1.00 0.00 N ATOM 767 CA ALA A 54 -5.949 -0.905 3.341 1.00 0.00 C ATOM 768 C ALA A 54 -6.851 0.220 2.852 1.00 0.00 C ATOM 769 O ALA A 54 -6.827 1.335 3.369 1.00 0.00 O ATOM 770 CB ALA A 54 -4.503 -0.525 3.630 1.00 0.00 C ATOM 0 H ALA A 54 -5.745 -1.507 1.389 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.409 -1.225 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.476 0.242 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.957 -1.404 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.039 -0.140 2.722 1.00 0.00 H new ATOM 776 N THR A 55 -7.700 -0.108 1.874 1.00 0.00 N ATOM 777 CA THR A 55 -8.636 0.802 1.248 1.00 0.00 C ATOM 778 C THR A 55 -9.691 1.211 2.276 1.00 0.00 C ATOM 779 O THR A 55 -9.948 2.397 2.482 1.00 0.00 O ATOM 780 CB THR A 55 -9.236 0.070 0.041 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.235 -0.238 -0.909 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.302 0.902 -0.672 1.00 0.00 C ATOM 0 H THR A 55 -7.748 -1.051 1.489 1.00 0.00 H new ATOM 0 HA THR A 55 -8.160 1.719 0.900 1.00 0.00 H new ATOM 0 HB THR A 55 -9.690 -0.838 0.438 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.424 -0.533 -0.445 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.696 0.340 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.112 1.128 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.860 1.832 -1.028 1.00 0.00 H new ATOM 790 N GLU A 56 -10.254 0.217 2.968 1.00 0.00 N ATOM 791 CA GLU A 56 -11.245 0.434 4.010 1.00 0.00 C ATOM 792 C GLU A 56 -10.723 1.336 5.136 1.00 0.00 C ATOM 793 O GLU A 56 -11.346 2.350 5.433 1.00 0.00 O ATOM 794 CB GLU A 56 -11.757 -0.925 4.502 1.00 0.00 C ATOM 795 CG GLU A 56 -12.945 -0.764 5.463 1.00 0.00 C ATOM 796 CD GLU A 56 -13.569 -2.104 5.830 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.990 -2.776 6.708 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.608 -2.431 5.216 1.00 0.00 O ATOM 0 H GLU A 56 -10.029 -0.766 2.815 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.090 0.984 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.058 -1.533 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.950 -1.459 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.612 -0.259 6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.700 -0.127 5.002 1.00 0.00 H new ATOM 803 N ASN A 57 -9.550 1.039 5.713 1.00 0.00 N ATOM 804 CA ASN A 57 -8.961 1.925 6.726 1.00 0.00 C ATOM 805 C ASN A 57 -8.719 3.322 6.097 1.00 0.00 C ATOM 806 O ASN A 57 -9.107 4.352 6.650 1.00 0.00 O ATOM 807 CB ASN A 57 -7.679 1.287 7.305 1.00 0.00 C ATOM 808 CG ASN A 57 -7.079 2.036 8.502 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.190 3.248 8.628 1.00 0.00 O ATOM 810 ND2 ASN A 57 -6.419 1.318 9.403 1.00 0.00 N ATOM 0 H ASN A 57 -8.999 0.207 5.501 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.643 2.060 7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.903 0.264 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.929 1.229 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.998 1.776 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.333 0.308 9.287 1.00 0.00 H new ATOM 816 N PHE A 58 -8.133 3.360 4.890 1.00 0.00 N ATOM 817 CA PHE A 58 -7.800 4.615 4.204 1.00 0.00 C ATOM 818 C PHE A 58 -8.991 5.562 3.959 1.00 0.00 C ATOM 819 O PHE A 58 -8.783 6.777 4.004 1.00 0.00 O ATOM 820 CB PHE A 58 -7.041 4.282 2.916 1.00 0.00 C ATOM 821 CG PHE A 58 -6.470 5.447 2.131 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.417 6.203 2.676 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.787 5.587 0.767 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.742 7.152 1.887 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.041 6.459 -0.046 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.055 7.282 0.524 1.00 0.00 C ATOM 0 H PHE A 58 -7.878 2.524 4.365 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.164 5.192 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.221 3.611 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.714 3.729 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.125 6.054 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.605 5.023 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.983 7.781 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.226 6.496 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.540 8.011 -0.083 1.00 0.00 H new ATOM 835 N GLU A 59 -10.199 5.013 3.741 1.00 0.00 N ATOM 836 CA GLU A 59 -11.499 5.653 3.541 1.00 0.00 C ATOM 837 C GLU A 59 -12.302 5.849 4.838 1.00 0.00 C ATOM 838 O GLU A 59 -13.034 6.829 4.947 1.00 0.00 O ATOM 839 CB GLU A 59 -12.288 4.909 2.456 1.00 0.00 C ATOM 840 CG GLU A 59 -11.703 5.188 1.058 1.00 0.00 C ATOM 841 CD GLU A 59 -11.942 6.612 0.556 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.106 7.493 0.877 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.887 6.781 -0.238 1.00 0.00 O ATOM 0 H GLU A 59 -10.291 3.998 3.697 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.310 6.668 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.266 3.838 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.333 5.218 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.630 4.997 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.138 4.485 0.347 1.00 0.00 H new ATOM 848 N ASP A 60 -12.158 4.964 5.831 1.00 0.00 N ATOM 849 CA ASP A 60 -12.678 5.198 7.177 1.00 0.00 C ATOM 850 C ASP A 60 -12.063 6.500 7.719 1.00 0.00 C ATOM 851 O ASP A 60 -12.767 7.414 8.146 1.00 0.00 O ATOM 852 CB ASP A 60 -12.361 3.977 8.047 1.00 0.00 C ATOM 853 CG ASP A 60 -12.876 4.159 9.465 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.068 3.855 9.679 1.00 0.00 O ATOM 855 OD2 ASP A 60 -12.064 4.606 10.300 1.00 0.00 O ATOM 0 H ASP A 60 -11.679 4.070 5.722 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.761 5.322 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.811 3.087 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.284 3.813 8.068 1.00 0.00 H new ATOM 859 N VAL A 61 -10.733 6.611 7.606 1.00 0.00 N ATOM 860 CA VAL A 61 -10.029 7.874 7.814 1.00 0.00 C ATOM 861 C VAL A 61 -10.430 8.853 6.695 1.00 0.00 C ATOM 862 O VAL A 61 -10.803 9.995 6.949 1.00 0.00 O ATOM 863 CB VAL A 61 -8.512 7.623 7.819 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.741 8.938 7.999 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.120 6.663 8.947 1.00 0.00 C ATOM 0 H VAL A 61 -10.121 5.830 7.369 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.300 8.309 8.776 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.254 7.178 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.670 8.735 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.981 9.616 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.023 9.399 8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.042 6.502 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.407 7.093 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.632 5.711 8.809 1.00 0.00 H new ATOM 875 N GLY A 62 -10.337 8.379 5.449 1.00 0.00 N ATOM 876 CA GLY A 62 -10.789 9.044 4.233 1.00 0.00 C ATOM 877 C GLY A 62 -9.992 10.306 3.920 1.00 0.00 C ATOM 878 O GLY A 62 -10.438 11.442 4.055 1.00 0.00 O ATOM 0 H GLY A 62 -9.920 7.469 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.710 8.352 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.843 9.301 4.335 1.00 0.00 H new ATOM 882 N HIS A 63 -8.770 10.033 3.462 1.00 0.00 N ATOM 883 CA HIS A 63 -7.673 10.962 3.259 1.00 0.00 C ATOM 884 CB HIS A 63 -6.472 10.124 2.839 1.00 0.00 C ATOM 885 CG HIS A 63 -5.847 9.413 4.002 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.380 8.369 4.727 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.601 9.678 4.490 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.443 8.003 5.622 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.333 8.759 5.501 1.00 0.00 N ATOM 0 H HIS A 63 -8.508 9.081 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.783 9.393 2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.730 10.767 2.366 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.304 7.954 4.609 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.939 10.462 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.565 7.208 6.343 1.00 0.00 H new ATOM 896 N SER A 64 -7.333 13.242 2.511 1.00 0.00 N ATOM 897 CA SER A 64 -7.438 14.482 1.746 1.00 0.00 C ATOM 898 C SER A 64 -6.831 14.420 0.334 1.00 0.00 C ATOM 899 O SER A 64 -6.098 13.499 -0.030 1.00 0.00 O ATOM 900 CB SER A 64 -6.772 15.603 2.559 1.00 0.00 C ATOM 901 OG SER A 64 -7.412 15.724 3.812 1.00 0.00 O ATOM 0 HA SER A 64 -8.500 14.670 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.713 15.384 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.833 16.546 2.015 1.00 0.00 H new ATOM 0 HG SER A 64 -7.418 14.853 4.262 1.00 0.00 H new ATOM 906 N THR A 65 -7.102 15.459 -0.464 1.00 0.00 N ATOM 907 CA THR A 65 -6.534 15.632 -1.800 1.00 0.00 C ATOM 908 C THR A 65 -5.011 15.597 -1.786 1.00 0.00 C ATOM 909 O THR A 65 -4.426 14.782 -2.490 1.00 0.00 O ATOM 910 CB THR A 65 -6.996 16.954 -2.411 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.775 17.988 -1.473 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.486 16.927 -2.759 1.00 0.00 C ATOM 0 H THR A 65 -7.732 16.214 -0.193 1.00 0.00 H new ATOM 0 HA THR A 65 -6.890 14.797 -2.403 1.00 0.00 H new ATOM 0 HB THR A 65 -6.431 17.120 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.066 18.843 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.776 17.885 -3.191 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.677 16.131 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.068 16.746 -1.855 1.00 0.00 H new ATOM 920 N ASP A 66 -4.382 16.447 -0.971 1.00 0.00 N ATOM 921 CA ASP A 66 -2.952 16.413 -0.673 1.00 0.00 C ATOM 922 C ASP A 66 -2.426 14.969 -0.579 1.00 0.00 C ATOM 923 O ASP A 66 -1.514 14.563 -1.298 1.00 0.00 O ATOM 924 CB ASP A 66 -2.740 17.181 0.638 1.00 0.00 C ATOM 925 CG ASP A 66 -1.297 17.093 1.109 1.00 0.00 C ATOM 926 OD1 ASP A 66 -0.985 16.078 1.768 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.539 18.029 0.783 1.00 0.00 O ATOM 0 H ASP A 66 -4.870 17.200 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.387 16.882 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.015 18.226 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.400 16.779 1.407 1.00 0.00 H new ATOM 931 N ALA A 67 -3.078 14.161 0.258 1.00 0.00 N ATOM 932 CA ALA A 67 -2.687 12.781 0.488 1.00 0.00 C ATOM 933 C ALA A 67 -2.914 11.904 -0.754 1.00 0.00 C ATOM 934 O ALA A 67 -2.071 11.077 -1.103 1.00 0.00 O ATOM 935 CB ALA A 67 -3.429 12.253 1.715 1.00 0.00 C ATOM 0 H ALA A 67 -3.895 14.452 0.795 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.615 12.741 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.142 11.217 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.171 12.858 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.504 12.307 1.541 1.00 0.00 H new ATOM 941 N ARG A 68 -4.033 12.095 -1.458 1.00 0.00 N ATOM 942 CA ARG A 68 -4.298 11.411 -2.723 1.00 0.00 C ATOM 943 C ARG A 68 -3.226 11.755 -3.771 1.00 0.00 C ATOM 944 O ARG A 68 -2.783 10.891 -4.527 1.00 0.00 O ATOM 945 CB ARG A 68 -5.715 11.757 -3.223 1.00 0.00 C ATOM 946 CG ARG A 68 -6.721 10.630 -2.964 1.00 0.00 C ATOM 947 CD ARG A 68 -7.098 10.450 -1.486 1.00 0.00 C ATOM 948 NE ARG A 68 -7.608 9.080 -1.289 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.636 8.641 -0.552 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.331 9.392 0.289 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.014 7.382 -0.656 1.00 0.00 N ATOM 0 H ARG A 68 -4.778 12.727 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.250 10.335 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.059 12.666 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.678 11.968 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.627 10.828 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.306 9.694 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.229 10.624 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.855 11.180 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.098 8.354 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.094 10.377 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.103 8.985 0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.525 6.754 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.796 7.037 -0.099 1.00 0.00 H new ATOM 962 N GLU A 69 -2.785 13.011 -3.790 1.00 0.00 N ATOM 963 CA GLU A 69 -1.761 13.509 -4.691 1.00 0.00 C ATOM 964 C GLU A 69 -0.404 12.879 -4.348 1.00 0.00 C ATOM 965 O GLU A 69 0.264 12.296 -5.201 1.00 0.00 O ATOM 966 CB GLU A 69 -1.786 15.041 -4.606 1.00 0.00 C ATOM 967 CG GLU A 69 -1.065 15.726 -5.780 1.00 0.00 C ATOM 968 CD GLU A 69 -1.586 15.319 -7.151 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.817 15.167 -7.322 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.754 15.047 -8.044 1.00 0.00 O ATOM 0 H GLU A 69 -3.144 13.727 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.948 13.227 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.822 15.380 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.322 15.354 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.163 16.806 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.001 15.495 -5.724 1.00 0.00 H new ATOM 975 N LEU A 70 -0.053 12.898 -3.059 1.00 0.00 N ATOM 976 CA LEU A 70 1.097 12.189 -2.506 1.00 0.00 C ATOM 977 C LEU A 70 1.089 10.720 -2.936 1.00 0.00 C ATOM 978 O LEU A 70 2.109 10.173 -3.347 1.00 0.00 O ATOM 979 CB LEU A 70 1.044 12.258 -0.968 1.00 0.00 C ATOM 980 CG LEU A 70 2.389 12.244 -0.216 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.558 11.592 -0.951 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.777 13.668 0.164 1.00 0.00 C ATOM 0 H LEU A 70 -0.576 13.421 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 70 2.006 12.661 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.510 13.166 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.449 11.417 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 70 2.210 11.617 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.451 11.640 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.319 10.550 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.740 12.120 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.728 13.656 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.873 14.272 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.007 14.096 0.807 1.00 0.00 H new ATOM 993 N SER A 71 -0.075 10.063 -2.855 1.00 0.00 N ATOM 994 CA SER A 71 -0.194 8.633 -3.063 1.00 0.00 C ATOM 995 C SER A 71 0.441 8.196 -4.397 1.00 0.00 C ATOM 996 O SER A 71 1.086 7.154 -4.478 1.00 0.00 O ATOM 997 CB SER A 71 -1.659 8.212 -2.889 1.00 0.00 C ATOM 998 OG SER A 71 -2.352 8.211 -4.122 1.00 0.00 O ATOM 0 H SER A 71 -0.961 10.521 -2.641 1.00 0.00 H new ATOM 0 HA SER A 71 0.380 8.100 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.702 7.217 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.153 8.891 -2.194 1.00 0.00 H new ATOM 0 HG SER A 71 -2.567 9.132 -4.377 1.00 0.00 H new ATOM 1003 N LYS A 72 0.382 9.063 -5.414 1.00 0.00 N ATOM 1004 CA LYS A 72 1.009 8.839 -6.717 1.00 0.00 C ATOM 1005 C LYS A 72 2.511 8.559 -6.589 1.00 0.00 C ATOM 1006 O LYS A 72 3.030 7.653 -7.235 1.00 0.00 O ATOM 1007 CB LYS A 72 0.784 10.051 -7.629 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.688 10.463 -7.679 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.859 11.665 -8.614 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.320 12.132 -8.633 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.433 13.483 -9.217 1.00 0.00 N ATOM 0 H LYS A 72 -0.111 9.954 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 72 0.541 7.958 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.383 10.889 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.130 9.817 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.297 9.629 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.038 10.716 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.215 12.481 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.545 11.396 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.923 11.430 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.718 12.135 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.078 14.058 -8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.495 13.931 -9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.806 13.413 -10.185 1.00 0.00 H new ATOM 1021 N THR A 73 3.200 9.323 -5.734 1.00 0.00 N ATOM 1022 CA THR A 73 4.643 9.151 -5.485 1.00 0.00 C ATOM 1023 C THR A 73 4.991 8.108 -4.409 1.00 0.00 C ATOM 1024 O THR A 73 6.147 7.980 -4.009 1.00 0.00 O ATOM 1025 CB THR A 73 5.325 10.501 -5.222 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.724 10.327 -5.287 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.993 11.156 -3.885 1.00 0.00 C ATOM 0 H THR A 73 2.777 10.078 -5.194 1.00 0.00 H new ATOM 0 HA THR A 73 5.048 8.733 -6.407 1.00 0.00 H new ATOM 0 HB THR A 73 4.940 11.170 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.961 9.446 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.527 12.103 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.920 11.338 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.295 10.496 -3.072 1.00 0.00 H new ATOM 1035 N PHE A 74 3.978 7.373 -3.959 1.00 0.00 N ATOM 1036 CA PHE A 74 3.997 6.287 -2.976 1.00 0.00 C ATOM 1037 C PHE A 74 3.559 4.951 -3.593 1.00 0.00 C ATOM 1038 O PHE A 74 3.862 3.876 -3.075 1.00 0.00 O ATOM 1039 CB PHE A 74 3.070 6.735 -1.858 1.00 0.00 C ATOM 1040 CG PHE A 74 3.652 7.639 -0.788 1.00 0.00 C ATOM 1041 CD1 PHE A 74 5.032 7.919 -0.663 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.749 8.187 0.131 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.493 8.730 0.388 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.207 8.999 1.176 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.568 9.309 1.268 1.00 0.00 C ATOM 0 H PHE A 74 3.032 7.536 -4.304 1.00 0.00 H new ATOM 0 HA PHE A 74 5.004 6.103 -2.602 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.222 7.250 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.677 5.844 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.732 7.509 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.693 7.982 0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.551 8.906 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.512 9.384 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.909 10.001 2.024 1.00 0.00 H new ATOM 1054 N ILE A 75 2.835 5.018 -4.706 1.00 0.00 N ATOM 1055 CA ILE A 75 2.470 3.871 -5.508 1.00 0.00 C ATOM 1056 C ILE A 75 3.654 3.207 -6.201 1.00 0.00 C ATOM 1057 O ILE A 75 4.651 3.836 -6.547 1.00 0.00 O ATOM 1058 CB ILE A 75 1.444 4.331 -6.557 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.100 4.311 -5.839 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.382 3.517 -7.862 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.012 4.710 -6.781 1.00 0.00 C ATOM 0 H ILE A 75 2.480 5.898 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 75 2.054 3.117 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 75 1.743 5.316 -6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.092 3.314 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.126 4.992 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.622 3.940 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.351 3.552 -8.359 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.129 2.482 -7.633 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.964 4.690 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.827 5.717 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.048 4.012 -7.617 1.00 0.00 H new ATOM 1072 N ILE A 76 3.456 1.918 -6.467 1.00 0.00 N ATOM 1073 CA ILE A 76 4.286 1.105 -7.344 1.00 0.00 C ATOM 1074 C ILE A 76 3.473 0.522 -8.519 1.00 0.00 C ATOM 1075 O ILE A 76 4.024 0.308 -9.596 1.00 0.00 O ATOM 1076 CB ILE A 76 5.022 0.037 -6.531 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.011 -0.878 -5.831 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.963 0.700 -5.514 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.752 -1.971 -5.056 1.00 0.00 C ATOM 0 H ILE A 76 2.682 1.393 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 76 5.044 1.741 -7.802 1.00 0.00 H new ATOM 0 HB ILE A 76 5.626 -0.572 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.389 -0.296 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.344 -1.329 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.481 -0.070 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.694 1.314 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.383 1.327 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.029 -2.619 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.355 -2.561 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.400 -1.512 -4.309 1.00 0.00 H new ATOM 1090 N GLY A 77 2.161 0.292 -8.346 1.00 0.00 N ATOM 1091 CA GLY A 77 1.271 -0.044 -9.457 1.00 0.00 C ATOM 1092 C GLY A 77 -0.093 -0.592 -9.025 1.00 0.00 C ATOM 1093 O GLY A 77 -0.835 0.127 -8.364 1.00 0.00 O ATOM 0 H GLY A 77 1.696 0.334 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.116 0.847 -10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.762 -0.782 -10.091 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.397 -1.853 -9.363 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.650 -2.563 -9.076 1.00 0.00 C ATOM 1099 C GLU A 78 -1.379 -3.937 -8.470 1.00 0.00 C ATOM 1100 O GLU A 78 -0.328 -4.544 -8.666 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.452 -2.799 -10.367 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.534 -1.751 -10.685 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.051 -0.358 -11.065 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -1.870 -0.199 -11.432 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -3.914 0.545 -11.008 1.00 0.00 O ATOM 0 H GLU A 78 0.264 -2.438 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.208 -1.939 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.754 -2.839 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.928 -3.777 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.147 -2.133 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.184 -1.659 -9.815 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.421 -4.484 -7.847 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.395 -5.816 -7.237 1.00 0.00 C ATOM 1112 C LEU A 79 -2.492 -6.977 -8.192 1.00 0.00 C ATOM 1113 O LEU A 79 -2.752 -8.080 -7.741 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.432 -5.914 -6.113 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.807 -6.473 -6.548 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.136 -7.677 -5.688 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.913 -5.454 -6.370 1.00 0.00 C ATOM 0 H LEU A 79 -3.319 -4.010 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.393 -5.914 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.031 -6.548 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.577 -4.923 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.743 -6.735 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.104 -8.082 -5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.368 -8.439 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.173 -7.377 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.862 -5.887 -6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.978 -5.167 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.697 -4.573 -6.974 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.311 -6.714 -9.486 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.512 -7.652 -10.571 1.00 0.00 C ATOM 1130 C HIS A 80 -3.990 -7.881 -10.840 1.00 0.00 C ATOM 1131 O HIS A 80 -4.840 -7.784 -9.945 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.736 -8.938 -10.295 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.489 -9.885 -11.423 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.968 -11.149 -11.631 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.572 -9.631 -12.393 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.459 -11.573 -12.802 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.589 -10.683 -13.304 1.00 0.00 N ATOM 0 H HIS A 80 -2.006 -5.797 -9.813 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.113 -7.229 -11.493 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.767 -8.657 -9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.268 -9.484 -9.516 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.063 -8.759 -12.448 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.717 -12.508 -13.276 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.054 -10.761 -14.169 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.343 -8.112 -12.104 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.673 -8.556 -12.400 1.00 0.00 C ATOM 1146 C PRO A 81 -5.920 -9.988 -11.987 1.00 0.00 C ATOM 1147 O PRO A 81 -7.081 -10.335 -11.799 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.835 -8.401 -13.894 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.414 -8.531 -14.436 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.586 -7.890 -13.328 1.00 0.00 C ATOM 0 HA PRO A 81 -6.398 -7.966 -11.839 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.491 -9.168 -14.306 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.273 -7.436 -14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.135 -9.572 -14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.292 -8.013 -15.387 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.596 -8.342 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.440 -6.826 -13.512 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.874 -10.797 -11.793 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.166 -12.222 -11.522 1.00 0.00 C ATOM 1157 C ASP A 82 -5.292 -12.465 -10.013 1.00 0.00 C ATOM 1158 O ASP A 82 -4.886 -13.496 -9.483 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.202 -13.154 -12.278 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.780 -14.535 -12.566 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.943 -14.591 -13.018 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.015 -15.506 -12.390 1.00 0.00 O ATOM 0 H ASP A 82 -3.890 -10.528 -11.813 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.142 -12.484 -11.930 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.922 -12.684 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.288 -13.267 -11.694 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.827 -11.447 -9.332 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.834 -11.324 -7.902 1.00 0.00 C ATOM 1168 C ASP A 83 -7.039 -10.452 -7.497 1.00 0.00 C ATOM 1169 O ASP A 83 -7.961 -10.904 -6.823 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.466 -10.694 -7.626 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.919 -11.130 -6.291 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.717 -11.167 -5.334 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.705 -11.440 -6.263 1.00 0.00 O ATOM 0 H ASP A 83 -6.282 -10.662 -9.798 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.954 -12.244 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.769 -10.974 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.553 -9.608 -7.648 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.035 -9.231 -8.046 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.076 -8.212 -8.046 1.00 0.00 C ATOM 1179 C ARG A 84 -9.014 -8.094 -6.824 1.00 0.00 C ATOM 1180 O ARG A 84 -10.222 -8.384 -6.985 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.832 -8.278 -9.370 1.00 0.00 C ATOM 1182 CG ARG A 84 -9.387 -6.888 -9.682 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.611 -6.224 -10.825 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.181 -6.113 -10.463 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.468 -5.006 -10.244 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.914 -3.798 -10.562 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.271 -5.121 -9.695 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.544 -7.578 -5.787 1.00 0.00 O ATOM 0 H ARG A 84 -6.212 -8.905 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.530 -7.275 -7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.168 -8.609 -10.169 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.642 -9.004 -9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.440 -6.966 -9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.332 -6.263 -8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.720 -6.809 -11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.022 -5.235 -11.029 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.676 -6.994 -10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.833 -3.690 -10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.338 -2.977 -10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.910 -6.042 -9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.709 -4.288 -9.519 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.590 8.577 6.405 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.717 11.087 8.552 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.162 11.082 4.384 1.00 0.00 C HETATM 1203 CHC HEM A 201 -1.875 6.250 3.982 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.002 6.193 8.444 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.386 10.677 6.501 1.00 0.00 N HETATM 1206 C1A HEM A 201 -2.971 11.466 7.444 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.786 12.839 7.048 1.00 0.00 C HETATM 1208 C3A HEM A 201 -1.948 12.841 5.958 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.783 11.467 5.558 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.411 14.053 5.228 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.600 14.002 7.565 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.038 13.996 7.058 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.194 14.216 5.551 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.405 15.002 4.988 1.00 0.00 O HETATM 1215 O2A HEM A 201 -6.144 13.636 4.978 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.656 8.645 4.563 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.140 9.765 3.948 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.591 9.358 2.680 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.822 8.012 2.574 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.495 7.559 3.757 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.044 10.266 1.620 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.182 7.095 1.561 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.865 6.648 0.488 1.00 0.00 C HETATM 1224 NC HEM A 201 -2.862 6.597 6.245 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.506 5.843 5.151 1.00 0.00 C HETATM 1226 C2C HEM A 201 -2.943 4.498 5.397 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.441 4.486 6.676 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.457 5.820 7.203 1.00 0.00 C HETATM 1229 CMC HEM A 201 -2.886 3.338 4.435 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.301 3.380 7.211 1.00 0.00 C HETATM 1231 CBC HEM A 201 -5.183 2.909 6.310 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.629 8.629 8.226 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.094 7.527 8.875 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.743 7.985 10.087 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.667 9.366 10.101 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.965 9.760 8.904 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.436 7.109 11.101 1.00 0.00 C HETATM 1238 CAD HEM A 201 -5.144 10.363 11.146 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.887 9.872 12.384 1.00 0.00 C HETATM 1240 CGD HEM A 201 -6.128 10.993 13.389 1.00 0.00 C HETATM 1241 O1D HEM A 201 -6.230 10.660 14.588 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.206 12.158 12.941 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.491 13.786 4.707 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.204 14.848 5.945 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.150 14.400 4.505 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 0.738 9.748 1.065 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 0.373 11.159 2.086 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 -0.844 10.552 0.938 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -2.768 2.409 4.992 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -2.040 3.466 3.760 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -3.809 3.299 3.857 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.848 6.232 10.603 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.242 7.669 11.575 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.719 6.793 11.859 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.380 5.986 -0.230 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.902 6.948 0.338 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -5.863 2.103 6.583 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -5.217 3.334 5.307 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.596 14.772 7.583 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.496 13.042 7.320 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.120 14.935 7.268 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.605 13.979 8.655 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -5.313 9.076 12.859 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.843 9.441 12.086 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.793 11.077 10.640 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.270 10.915 11.490 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.129 11.865 9.178 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.675 11.836 3.783 1.00 0.00 H new HETATM 0 HHC HEM A 201 -1.673 5.513 3.218 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.368 5.416 9.098 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.854 6.787 1.700 1.00 0.00 H new HETATM 0 HAC HEM A 201 -4.220 2.996 8.228 1.00 0.00 H new