USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot -99:sc= -0.86 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -1.95! (180deg=-1.95!) USER MOD Set 2.1: A 49 GLN :FLIP amide:sc= -2.08! F(o=-4.6,f=-2.5!) USER MOD Set 2.2: A 57 ASN :FLIP amide:sc= -0.399 X(o=-2.5,f=-2.5) USER MOD Set 3.1: A 35 TYR OH : rot 30:sc= -2.12 USER MOD Set 3.2: A 95 HEM CMA :methyl -30:sc= -0.275 (180deg=-1.96!) USER MOD Set 4.1: A 26 HIS : no HE2:sc= -1.3 X(o=-1.1,f=-1) USER MOD Set 4.2: A 30 TYR OH : rot 40:sc= 0.17 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 0:sc= -1.4 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 13 GLN : amide:sc= -0.235 K(o=-0.23,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -5.59 F(o=-6.8,f=-5.6) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 56:sc= 1.24 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.05 F(o=-1.7,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 82:sc= 1.55 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 46:sc= -0.135 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 80 HIS : no HD1:sc= -0.565 X(o=-0.56,f=-0.26) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.35! (180deg=-6.09!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -10.4! (180deg=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 3.285 -0.485 -7.754 1.00 0.00 N ATOM 2 CA VAL A 4 3.854 0.740 -8.291 1.00 0.00 C ATOM 3 C VAL A 4 2.748 1.785 -8.443 1.00 0.00 C ATOM 4 O VAL A 4 1.566 1.470 -8.311 1.00 0.00 O ATOM 5 CB VAL A 4 4.583 0.446 -9.603 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.632 0.554 -10.797 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.789 1.371 -9.778 1.00 0.00 C ATOM 0 HA VAL A 4 4.597 1.149 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 4 4.949 -0.580 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.177 0.340 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.820 -0.163 -10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.221 1.562 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.290 1.142 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.454 2.408 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.484 1.223 -8.951 1.00 0.00 H new ATOM 17 N LYS A 5 3.170 3.010 -8.719 1.00 0.00 N ATOM 18 CA LYS A 5 2.230 4.106 -8.891 1.00 0.00 C ATOM 19 C LYS A 5 2.325 4.634 -10.324 1.00 0.00 C ATOM 20 O LYS A 5 3.406 4.998 -10.784 1.00 0.00 O ATOM 21 CB LYS A 5 2.456 5.179 -7.823 1.00 0.00 C ATOM 22 CG LYS A 5 1.490 4.998 -6.651 1.00 0.00 C ATOM 23 CD LYS A 5 0.324 5.984 -6.745 1.00 0.00 C ATOM 24 CE LYS A 5 -0.821 5.403 -7.577 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.601 6.486 -8.216 1.00 0.00 N ATOM 0 H LYS A 5 4.151 3.269 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 5 1.207 3.757 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.484 5.128 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.320 6.168 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.108 3.977 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.021 5.146 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.035 6.225 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.667 6.916 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.421 4.736 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.473 4.804 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.374 6.073 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.999 7.107 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.980 7.040 -8.839 1.00 0.00 H new ATOM 39 N TYR A 6 1.179 4.659 -10.988 1.00 0.00 N ATOM 40 CA TYR A 6 1.119 5.137 -12.359 1.00 0.00 C ATOM 41 C TYR A 6 0.592 6.571 -12.418 1.00 0.00 C ATOM 42 O TYR A 6 -0.565 6.825 -12.088 1.00 0.00 O ATOM 43 CB TYR A 6 0.137 4.215 -13.085 1.00 0.00 C ATOM 44 CG TYR A 6 0.548 2.741 -13.081 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.805 2.374 -13.515 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.340 1.779 -12.644 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.192 0.987 -13.511 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.046 0.392 -12.640 1.00 0.00 C ATOM 49 CZ TYR A 6 1.294 0.064 -13.074 1.00 0.00 C ATOM 50 OH TYR A 6 1.658 -1.247 -13.071 1.00 0.00 O ATOM 0 H TYR A 6 0.285 4.356 -10.602 1.00 0.00 H new ATOM 0 HA TYR A 6 2.111 5.130 -12.811 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.845 4.309 -12.621 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.035 4.550 -14.117 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.499 3.127 -13.858 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.324 2.067 -12.305 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.173 0.687 -13.847 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.639 -0.371 -12.300 1.00 0.00 H new ATOM 0 HH TYR A 6 0.917 -1.791 -12.732 1.00 0.00 H new ATOM 60 N TYR A 7 1.467 7.473 -12.840 1.00 0.00 N ATOM 61 CA TYR A 7 1.104 8.876 -12.946 1.00 0.00 C ATOM 62 C TYR A 7 0.885 9.277 -14.406 1.00 0.00 C ATOM 63 O TYR A 7 1.490 8.701 -15.310 1.00 0.00 O ATOM 64 CB TYR A 7 2.291 9.661 -12.386 1.00 0.00 C ATOM 65 CG TYR A 7 2.841 9.106 -11.070 1.00 0.00 C ATOM 66 CD1 TYR A 7 2.010 8.974 -9.977 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.168 8.738 -10.978 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.526 8.450 -8.739 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.685 8.216 -9.739 1.00 0.00 C ATOM 70 CZ TYR A 7 3.839 8.098 -8.681 1.00 0.00 C ATOM 71 OH TYR A 7 4.327 7.604 -7.512 1.00 0.00 O ATOM 0 H TYR A 7 2.426 7.259 -13.112 1.00 0.00 H new ATOM 0 HA TYR A 7 0.178 9.075 -12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.090 9.669 -13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.988 10.697 -12.233 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.972 9.264 -10.050 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.818 8.841 -11.834 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.886 8.339 -7.876 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.721 7.925 -9.652 1.00 0.00 H new ATOM 0 HH TYR A 7 3.610 7.576 -6.844 1.00 0.00 H new ATOM 81 N THR A 8 0.019 10.262 -14.593 1.00 0.00 N ATOM 82 CA THR A 8 -0.287 10.746 -15.928 1.00 0.00 C ATOM 83 C THR A 8 0.827 11.668 -16.429 1.00 0.00 C ATOM 84 O THR A 8 1.478 12.347 -15.639 1.00 0.00 O ATOM 85 CB THR A 8 -1.660 11.422 -15.883 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.659 12.125 -14.642 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.803 10.417 -15.740 1.00 0.00 C ATOM 0 H THR A 8 -0.481 10.738 -13.842 1.00 0.00 H new ATOM 0 HA THR A 8 -0.335 9.926 -16.644 1.00 0.00 H new ATOM 0 HB THR A 8 -1.805 12.010 -16.789 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.512 12.594 -14.531 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.754 10.949 -15.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.794 9.733 -16.588 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.677 9.852 -14.816 1.00 0.00 H new ATOM 95 N LEU A 9 1.012 11.659 -17.741 1.00 0.00 N ATOM 96 CA LEU A 9 2.036 12.485 -18.358 1.00 0.00 C ATOM 97 C LEU A 9 1.836 13.941 -17.932 1.00 0.00 C ATOM 98 O LEU A 9 2.738 14.763 -18.081 1.00 0.00 O ATOM 99 CB LEU A 9 2.045 12.283 -19.874 1.00 0.00 C ATOM 100 CG LEU A 9 0.946 13.008 -20.654 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.141 12.840 -22.162 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.441 12.548 -20.201 1.00 0.00 C ATOM 0 H LEU A 9 0.470 11.093 -18.394 1.00 0.00 H new ATOM 0 HA LEU A 9 3.026 12.185 -18.014 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.011 12.609 -20.258 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.965 11.215 -20.079 1.00 0.00 H new ATOM 0 HG LEU A 9 1.019 14.074 -20.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.346 13.365 -22.692 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.106 13.254 -22.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.109 11.781 -22.417 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.204 13.078 -20.771 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.542 11.476 -20.370 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.567 12.762 -19.140 1.00 0.00 H new ATOM 114 N GLU A 10 0.649 14.214 -17.412 1.00 0.00 N ATOM 115 CA GLU A 10 0.320 15.556 -16.963 1.00 0.00 C ATOM 116 C GLU A 10 1.131 15.913 -15.717 1.00 0.00 C ATOM 117 O GLU A 10 1.588 17.046 -15.573 1.00 0.00 O ATOM 118 CB GLU A 10 -1.181 15.692 -16.697 1.00 0.00 C ATOM 119 CG GLU A 10 -1.868 16.472 -17.821 1.00 0.00 C ATOM 120 CD GLU A 10 -2.011 15.610 -19.078 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.616 14.524 -18.955 1.00 0.00 O ATOM 122 OE2 GLU A 10 -1.512 16.058 -20.133 1.00 0.00 O ATOM 0 H GLU A 10 -0.097 13.529 -17.291 1.00 0.00 H new ATOM 0 HA GLU A 10 0.581 16.257 -17.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.630 14.703 -16.609 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.341 16.200 -15.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.852 16.804 -17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.291 17.367 -18.053 1.00 0.00 H new ATOM 129 N GLU A 11 1.287 14.926 -14.848 1.00 0.00 N ATOM 130 CA GLU A 11 2.036 15.122 -13.618 1.00 0.00 C ATOM 131 C GLU A 11 3.416 15.707 -13.925 1.00 0.00 C ATOM 132 O GLU A 11 3.701 16.851 -13.576 1.00 0.00 O ATOM 133 CB GLU A 11 2.157 13.814 -12.834 1.00 0.00 C ATOM 134 CG GLU A 11 1.556 13.956 -11.434 1.00 0.00 C ATOM 135 CD GLU A 11 0.465 12.910 -11.197 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.536 12.955 -11.943 1.00 0.00 O ATOM 137 OE2 GLU A 11 0.658 12.088 -10.274 1.00 0.00 O ATOM 0 H GLU A 11 0.907 13.987 -14.971 1.00 0.00 H new ATOM 0 HA GLU A 11 1.492 15.831 -12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.648 13.015 -13.373 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.206 13.528 -12.756 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.340 13.845 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.139 14.956 -11.313 1.00 0.00 H new ATOM 144 N ILE A 12 4.237 14.895 -14.575 1.00 0.00 N ATOM 145 CA ILE A 12 5.580 15.316 -14.933 1.00 0.00 C ATOM 146 C ILE A 12 5.531 16.741 -15.490 1.00 0.00 C ATOM 147 O ILE A 12 6.283 17.610 -15.050 1.00 0.00 O ATOM 148 CB ILE A 12 6.224 14.306 -15.885 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.159 13.510 -16.641 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.198 13.393 -15.137 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.928 12.145 -15.989 1.00 0.00 C ATOM 0 H ILE A 12 3.997 13.946 -14.863 1.00 0.00 H new ATOM 0 HA ILE A 12 6.219 15.339 -14.051 1.00 0.00 H new ATOM 0 HB ILE A 12 6.803 14.856 -16.627 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.225 14.071 -16.659 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.469 13.374 -17.677 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.642 12.684 -15.836 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.984 13.995 -14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.662 12.848 -14.360 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.166 11.600 -16.546 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.858 11.577 -15.995 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.595 12.285 -14.961 1.00 0.00 H new ATOM 163 N GLN A 13 4.638 16.937 -16.449 1.00 0.00 N ATOM 164 CA GLN A 13 4.482 18.240 -17.071 1.00 0.00 C ATOM 165 C GLN A 13 4.378 19.329 -16.002 1.00 0.00 C ATOM 166 O GLN A 13 5.339 20.057 -15.756 1.00 0.00 O ATOM 167 CB GLN A 13 3.263 18.263 -17.997 1.00 0.00 C ATOM 168 CG GLN A 13 3.534 17.474 -19.279 1.00 0.00 C ATOM 169 CD GLN A 13 3.742 18.413 -20.467 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.820 19.624 -20.330 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.828 17.792 -21.640 1.00 0.00 N ATOM 0 H GLN A 13 4.015 16.215 -16.810 1.00 0.00 H new ATOM 0 HA GLN A 13 5.364 18.438 -17.680 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.401 17.840 -17.481 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.011 19.294 -18.246 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.417 16.849 -19.146 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.698 16.805 -19.482 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.755 16.776 -21.686 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.967 18.332 -22.494 1.00 0.00 H new ATOM 180 N LYS A 14 3.203 19.408 -15.393 1.00 0.00 N ATOM 181 CA LYS A 14 2.961 20.396 -14.356 1.00 0.00 C ATOM 182 C LYS A 14 4.081 20.321 -13.316 1.00 0.00 C ATOM 183 O LYS A 14 4.425 21.325 -12.696 1.00 0.00 O ATOM 184 CB LYS A 14 1.561 20.220 -13.765 1.00 0.00 C ATOM 185 CG LYS A 14 1.384 18.818 -13.179 1.00 0.00 C ATOM 186 CD LYS A 14 -0.083 18.387 -13.223 1.00 0.00 C ATOM 187 CE LYS A 14 -0.506 17.747 -11.900 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.133 18.753 -11.015 1.00 0.00 N ATOM 0 H LYS A 14 2.408 18.803 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 14 2.981 21.402 -14.775 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.394 20.966 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.812 20.392 -14.538 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.993 18.107 -13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.741 18.803 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.714 19.251 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.234 17.679 -14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.207 16.934 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.362 17.310 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.414 18.302 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.453 19.515 -10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.973 19.150 -11.482 1.00 0.00 H new ATOM 202 N HIS A 15 4.618 19.119 -13.157 1.00 0.00 N ATOM 203 CA HIS A 15 5.691 18.901 -12.203 1.00 0.00 C ATOM 204 C HIS A 15 7.041 19.112 -12.892 1.00 0.00 C ATOM 205 O HIS A 15 7.967 18.322 -12.708 1.00 0.00 O ATOM 206 CB HIS A 15 5.567 17.522 -11.552 1.00 0.00 C ATOM 207 CG HIS A 15 4.286 17.321 -10.778 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.327 16.357 -10.877 1.00 0.00 N flip ATOM 209 CD2 HIS A 15 3.879 18.177 -9.768 1.00 0.00 C flip ATOM 210 CE1 HIS A 15 2.386 16.608 -9.975 1.00 0.00 C flip ATOM 211 NE2 HIS A 15 2.726 17.736 -9.288 1.00 0.00 N flip ATOM 0 H HIS A 15 4.330 18.288 -13.673 1.00 0.00 H new ATOM 0 HA HIS A 15 5.617 19.628 -11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.635 16.758 -12.327 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.412 17.371 -10.881 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.411 19.054 -9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.497 16.016 -9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 15 2.187 18.165 -8.536 1.00 0.00 H new ATOM 219 N LYS A 16 7.112 20.181 -13.671 1.00 0.00 N ATOM 220 CA LYS A 16 8.333 20.506 -14.387 1.00 0.00 C ATOM 221 C LYS A 16 8.956 21.764 -13.781 1.00 0.00 C ATOM 222 O LYS A 16 9.601 22.542 -14.483 1.00 0.00 O ATOM 223 CB LYS A 16 8.060 20.617 -15.889 1.00 0.00 C ATOM 224 CG LYS A 16 9.366 20.696 -16.680 1.00 0.00 C ATOM 225 CD LYS A 16 9.106 20.567 -18.182 1.00 0.00 C ATOM 226 CE LYS A 16 9.954 21.565 -18.973 1.00 0.00 C ATOM 227 NZ LYS A 16 9.587 21.534 -20.407 1.00 0.00 N ATOM 0 H LYS A 16 6.343 20.834 -13.822 1.00 0.00 H new ATOM 0 HA LYS A 16 9.063 19.704 -14.277 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.481 19.755 -16.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.456 21.503 -16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.864 21.644 -16.474 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.041 19.904 -16.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.334 19.552 -18.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.049 20.739 -18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.809 22.570 -18.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.011 21.326 -18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.172 22.217 -20.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.748 20.579 -20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.583 21.784 -20.514 1.00 0.00 H new ATOM 241 N ASP A 17 8.742 21.926 -12.484 1.00 0.00 N ATOM 242 CA ASP A 17 9.275 23.077 -11.774 1.00 0.00 C ATOM 243 C ASP A 17 10.031 22.600 -10.533 1.00 0.00 C ATOM 244 O ASP A 17 9.941 21.432 -10.157 1.00 0.00 O ATOM 245 CB ASP A 17 8.153 24.009 -11.315 1.00 0.00 C ATOM 246 CG ASP A 17 8.212 25.425 -11.891 1.00 0.00 C ATOM 247 OD1 ASP A 17 9.106 25.659 -12.733 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.362 26.243 -11.477 1.00 0.00 O ATOM 0 H ASP A 17 8.206 21.279 -11.905 1.00 0.00 H new ATOM 0 HA ASP A 17 9.936 23.616 -12.453 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.196 23.562 -11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.177 24.074 -10.227 1.00 0.00 H new ATOM 253 N SER A 18 10.759 23.528 -9.930 1.00 0.00 N ATOM 254 CA SER A 18 11.530 23.218 -8.738 1.00 0.00 C ATOM 255 C SER A 18 10.631 22.562 -7.688 1.00 0.00 C ATOM 256 O SER A 18 10.962 21.505 -7.155 1.00 0.00 O ATOM 257 CB SER A 18 12.186 24.475 -8.163 1.00 0.00 C ATOM 258 OG SER A 18 13.568 24.274 -7.881 1.00 0.00 O ATOM 0 H SER A 18 10.831 24.496 -10.245 1.00 0.00 H new ATOM 0 HA SER A 18 12.322 22.522 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.076 25.297 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.669 24.769 -7.250 1.00 0.00 H new ATOM 0 HG SER A 18 13.951 25.099 -7.517 1.00 0.00 H new ATOM 264 N LYS A 19 9.509 23.217 -7.424 1.00 0.00 N ATOM 265 CA LYS A 19 8.559 22.711 -6.448 1.00 0.00 C ATOM 266 C LYS A 19 8.446 21.192 -6.594 1.00 0.00 C ATOM 267 O LYS A 19 8.609 20.457 -5.621 1.00 0.00 O ATOM 268 CB LYS A 19 7.221 23.441 -6.574 1.00 0.00 C ATOM 269 CG LYS A 19 6.612 23.711 -5.196 1.00 0.00 C ATOM 270 CD LYS A 19 5.917 25.074 -5.162 1.00 0.00 C ATOM 271 CE LYS A 19 5.727 25.556 -3.722 1.00 0.00 C ATOM 272 NZ LYS A 19 4.538 26.431 -3.622 1.00 0.00 N ATOM 0 H LYS A 19 9.237 24.093 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 19 8.910 22.910 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.365 24.383 -7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.531 22.843 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.895 22.927 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.393 23.678 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.508 25.802 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.948 25.005 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.613 24.700 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.614 26.098 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.423 26.750 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.662 27.257 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.692 25.902 -3.916 1.00 0.00 H new ATOM 286 N SER A 20 8.167 20.765 -7.817 1.00 0.00 N ATOM 287 CA SER A 20 8.031 19.347 -8.102 1.00 0.00 C ATOM 288 C SER A 20 8.775 18.998 -9.392 1.00 0.00 C ATOM 289 O SER A 20 8.239 19.162 -10.487 1.00 0.00 O ATOM 290 CB SER A 20 6.558 18.948 -8.215 1.00 0.00 C ATOM 291 OG SER A 20 5.943 18.807 -6.937 1.00 0.00 O ATOM 0 H SER A 20 8.031 21.377 -8.622 1.00 0.00 H new ATOM 0 HA SER A 20 8.470 18.788 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.022 19.700 -8.794 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.478 18.008 -8.761 1.00 0.00 H new ATOM 0 HG SER A 20 5.003 18.553 -7.052 1.00 0.00 H new ATOM 297 N THR A 21 10.001 18.524 -9.221 1.00 0.00 N ATOM 298 CA THR A 21 10.824 18.150 -10.357 1.00 0.00 C ATOM 299 C THR A 21 10.776 16.637 -10.578 1.00 0.00 C ATOM 300 O THR A 21 11.260 15.870 -9.748 1.00 0.00 O ATOM 301 CB THR A 21 12.237 18.683 -10.113 1.00 0.00 C ATOM 302 OG1 THR A 21 12.159 20.058 -10.480 1.00 0.00 O ATOM 303 CG2 THR A 21 13.262 18.095 -11.085 1.00 0.00 C ATOM 0 H THR A 21 10.444 18.391 -8.312 1.00 0.00 H new ATOM 0 HA THR A 21 10.448 18.593 -11.279 1.00 0.00 H new ATOM 0 HB THR A 21 12.537 18.457 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.446 20.494 -9.967 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.248 18.507 -10.868 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.289 17.011 -10.974 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.981 18.348 -12.107 1.00 0.00 H new ATOM 311 N TRP A 22 10.185 16.254 -11.701 1.00 0.00 N ATOM 312 CA TRP A 22 10.067 14.846 -12.040 1.00 0.00 C ATOM 313 C TRP A 22 10.803 14.615 -13.362 1.00 0.00 C ATOM 314 O TRP A 22 11.027 15.554 -14.124 1.00 0.00 O ATOM 315 CB TRP A 22 8.599 14.415 -12.090 1.00 0.00 C ATOM 316 CG TRP A 22 8.037 13.963 -10.741 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.506 14.240 -9.517 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.873 13.137 -10.528 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.734 13.654 -8.535 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.709 12.962 -9.169 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.988 12.555 -11.453 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.669 12.208 -8.613 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.955 11.805 -10.881 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.776 11.619 -9.516 1.00 0.00 C ATOM 0 H TRP A 22 9.783 16.894 -12.387 1.00 0.00 H new ATOM 0 HA TRP A 22 10.527 14.224 -11.272 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.999 15.246 -12.462 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.494 13.601 -12.807 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.379 14.846 -9.323 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.887 13.717 -7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.097 12.677 -12.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.561 12.087 -7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.246 11.337 -11.548 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.952 11.023 -9.153 1.00 0.00 H new ATOM 335 N VAL A 23 11.158 13.360 -13.593 1.00 0.00 N ATOM 336 CA VAL A 23 11.863 12.993 -14.809 1.00 0.00 C ATOM 337 C VAL A 23 11.669 11.500 -15.077 1.00 0.00 C ATOM 338 O VAL A 23 12.107 10.662 -14.289 1.00 0.00 O ATOM 339 CB VAL A 23 13.336 13.395 -14.701 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.997 12.730 -13.492 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.091 13.064 -15.989 1.00 0.00 C ATOM 0 H VAL A 23 10.970 12.584 -12.958 1.00 0.00 H new ATOM 0 HA VAL A 23 11.454 13.531 -15.664 1.00 0.00 H new ATOM 0 HB VAL A 23 13.379 14.474 -14.556 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.043 13.032 -13.438 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.483 13.037 -12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.937 11.647 -13.595 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.135 13.360 -15.885 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.035 11.992 -16.178 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.642 13.604 -16.823 1.00 0.00 H new ATOM 351 N ILE A 24 11.011 11.211 -16.190 1.00 0.00 N ATOM 352 CA ILE A 24 10.753 9.833 -16.570 1.00 0.00 C ATOM 353 C ILE A 24 12.080 9.135 -16.876 1.00 0.00 C ATOM 354 O ILE A 24 12.811 9.551 -17.775 1.00 0.00 O ATOM 355 CB ILE A 24 9.748 9.774 -17.722 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.407 10.387 -17.312 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.589 8.343 -18.240 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.766 11.138 -18.482 1.00 0.00 C ATOM 0 H ILE A 24 10.649 11.908 -16.841 1.00 0.00 H new ATOM 0 HA ILE A 24 10.290 9.291 -15.745 1.00 0.00 H new ATOM 0 HB ILE A 24 10.138 10.373 -18.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.734 9.602 -16.967 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.556 11.069 -16.475 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.869 8.330 -19.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.551 7.976 -18.597 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.233 7.702 -17.434 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.814 11.564 -18.164 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.430 11.938 -18.808 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.596 10.448 -19.308 1.00 0.00 H new ATOM 370 N LEU A 25 12.352 8.089 -16.112 1.00 0.00 N ATOM 371 CA LEU A 25 13.579 7.330 -16.289 1.00 0.00 C ATOM 372 C LEU A 25 13.236 5.849 -16.465 1.00 0.00 C ATOM 373 O LEU A 25 12.678 5.227 -15.564 1.00 0.00 O ATOM 374 CB LEU A 25 14.550 7.605 -15.140 1.00 0.00 C ATOM 375 CG LEU A 25 15.731 8.522 -15.464 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.274 9.744 -16.263 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.484 8.917 -14.194 1.00 0.00 C ATOM 0 H LEU A 25 11.744 7.748 -15.368 1.00 0.00 H new ATOM 0 HA LEU A 25 14.096 7.647 -17.194 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.990 8.045 -14.315 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.942 6.652 -14.786 1.00 0.00 H new ATOM 0 HG LEU A 25 16.429 7.969 -16.093 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.133 10.379 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.819 9.418 -17.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.544 10.307 -15.681 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.318 9.569 -14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.809 9.443 -13.519 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.863 8.021 -13.702 1.00 0.00 H new ATOM 389 N HIS A 26 13.586 5.328 -17.632 1.00 0.00 N ATOM 390 CA HIS A 26 13.324 3.932 -17.937 1.00 0.00 C ATOM 391 C HIS A 26 11.954 3.534 -17.382 1.00 0.00 C ATOM 392 O HIS A 26 11.847 2.592 -16.599 1.00 0.00 O ATOM 393 CB HIS A 26 14.454 3.041 -17.420 1.00 0.00 C ATOM 394 CG HIS A 26 14.862 3.330 -15.995 1.00 0.00 C ATOM 395 ND1 HIS A 26 15.951 4.122 -15.674 1.00 0.00 N ATOM 396 CD2 HIS A 26 14.317 2.927 -14.812 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.047 4.185 -14.354 1.00 0.00 C ATOM 398 NE2 HIS A 26 15.033 3.444 -13.822 1.00 0.00 N ATOM 0 H HIS A 26 14.049 5.848 -18.378 1.00 0.00 H new ATOM 0 HA HIS A 26 13.295 3.792 -19.018 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.144 1.999 -17.494 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.323 3.161 -18.067 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.574 4.579 -16.340 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.449 2.294 -14.700 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.796 4.728 -13.797 1.00 0.00 H new ATOM 406 N HIS A 27 10.941 4.273 -17.810 1.00 0.00 N ATOM 407 CA HIS A 27 9.583 4.009 -17.366 1.00 0.00 C ATOM 408 C HIS A 27 9.519 4.083 -15.839 1.00 0.00 C ATOM 409 O HIS A 27 9.031 3.159 -15.189 1.00 0.00 O ATOM 410 CB HIS A 27 9.081 2.673 -17.917 1.00 0.00 C ATOM 411 CG HIS A 27 9.430 2.436 -19.366 1.00 0.00 C ATOM 412 ND1 HIS A 27 10.641 2.294 -19.979 1.00 0.00 N flip ATOM 413 CD2 HIS A 27 8.474 2.321 -20.359 1.00 0.00 C flip ATOM 414 CE1 HIS A 27 10.434 2.102 -21.276 1.00 0.00 C flip ATOM 415 NE2 HIS A 27 9.091 2.119 -21.514 1.00 0.00 N flip ATOM 0 H HIS A 27 11.033 5.054 -18.459 1.00 0.00 H new ATOM 0 HA HIS A 27 8.913 4.773 -17.760 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.498 1.864 -17.317 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.998 2.629 -17.803 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.405 2.385 -20.217 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.203 1.956 -22.021 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.641 1.998 -22.421 1.00 0.00 H new ATOM 423 N LYS A 28 10.019 5.190 -15.310 1.00 0.00 N ATOM 424 CA LYS A 28 10.026 5.397 -13.872 1.00 0.00 C ATOM 425 C LYS A 28 10.427 6.841 -13.570 1.00 0.00 C ATOM 426 O LYS A 28 11.599 7.200 -13.680 1.00 0.00 O ATOM 427 CB LYS A 28 10.911 4.355 -13.185 1.00 0.00 C ATOM 428 CG LYS A 28 10.065 3.314 -12.451 1.00 0.00 C ATOM 429 CD LYS A 28 10.820 1.990 -12.316 1.00 0.00 C ATOM 430 CE LYS A 28 10.882 1.541 -10.854 1.00 0.00 C ATOM 431 NZ LYS A 28 11.574 0.238 -10.741 1.00 0.00 N ATOM 0 H LYS A 28 10.423 5.954 -15.852 1.00 0.00 H new ATOM 0 HA LYS A 28 9.027 5.252 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.539 3.861 -13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.579 4.849 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.799 3.688 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.132 3.151 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.328 1.224 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.830 2.102 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.405 2.290 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.873 1.460 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.607 -0.052 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.059 -0.478 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.543 0.327 -11.108 1.00 0.00 H new ATOM 445 N VAL A 29 9.433 7.632 -13.195 1.00 0.00 N ATOM 446 CA VAL A 29 9.669 9.031 -12.876 1.00 0.00 C ATOM 447 C VAL A 29 10.515 9.123 -11.604 1.00 0.00 C ATOM 448 O VAL A 29 10.336 8.338 -10.676 1.00 0.00 O ATOM 449 CB VAL A 29 8.336 9.774 -12.762 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.450 9.498 -13.979 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.614 9.408 -11.463 1.00 0.00 C ATOM 0 H VAL A 29 8.462 7.332 -13.105 1.00 0.00 H new ATOM 0 HA VAL A 29 10.229 9.516 -13.676 1.00 0.00 H new ATOM 0 HB VAL A 29 8.548 10.843 -12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.509 10.037 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.960 9.831 -14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.250 8.429 -14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.670 9.949 -11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.419 8.336 -11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.238 9.678 -10.611 1.00 0.00 H new ATOM 461 N TYR A 30 11.420 10.091 -11.603 1.00 0.00 N ATOM 462 CA TYR A 30 12.295 10.297 -10.462 1.00 0.00 C ATOM 463 C TYR A 30 12.060 11.672 -9.832 1.00 0.00 C ATOM 464 O TYR A 30 12.386 12.696 -10.430 1.00 0.00 O ATOM 465 CB TYR A 30 13.723 10.237 -11.009 1.00 0.00 C ATOM 466 CG TYR A 30 14.301 8.824 -11.084 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.496 7.733 -10.821 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.628 8.637 -11.414 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.040 6.402 -10.893 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.172 7.306 -11.486 1.00 0.00 C ATOM 471 CZ TYR A 30 15.351 6.254 -11.221 1.00 0.00 C ATOM 472 OH TYR A 30 15.866 4.997 -11.289 1.00 0.00 O ATOM 0 H TYR A 30 11.566 10.741 -12.375 1.00 0.00 H new ATOM 0 HA TYR A 30 12.109 9.545 -9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.738 10.678 -12.006 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.368 10.850 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.458 7.878 -10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.259 9.490 -11.618 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.421 5.541 -10.691 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.208 7.146 -11.745 1.00 0.00 H new ATOM 0 HH TYR A 30 15.211 4.397 -11.704 1.00 0.00 H new ATOM 482 N ASP A 31 11.495 11.649 -8.634 1.00 0.00 N ATOM 483 CA ASP A 31 11.212 12.881 -7.917 1.00 0.00 C ATOM 484 C ASP A 31 12.488 13.370 -7.228 1.00 0.00 C ATOM 485 O ASP A 31 12.667 13.165 -6.028 1.00 0.00 O ATOM 486 CB ASP A 31 10.149 12.659 -6.840 1.00 0.00 C ATOM 487 CG ASP A 31 9.747 13.914 -6.060 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.099 15.014 -6.536 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.098 13.742 -5.006 1.00 0.00 O ATOM 0 H ASP A 31 11.226 10.797 -8.142 1.00 0.00 H new ATOM 0 HA ASP A 31 10.849 13.614 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.259 12.241 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.517 11.914 -6.135 1.00 0.00 H new ATOM 494 N LEU A 32 13.342 14.005 -8.016 1.00 0.00 N ATOM 495 CA LEU A 32 14.597 14.524 -7.498 1.00 0.00 C ATOM 496 C LEU A 32 14.431 16.008 -7.166 1.00 0.00 C ATOM 497 O LEU A 32 15.315 16.815 -7.452 1.00 0.00 O ATOM 498 CB LEU A 32 15.740 14.236 -8.472 1.00 0.00 C ATOM 499 CG LEU A 32 15.663 14.945 -9.826 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.926 15.767 -10.086 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.386 13.948 -10.952 1.00 0.00 C ATOM 0 H LEU A 32 13.190 14.172 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 32 14.865 14.017 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.678 14.513 -7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.778 13.161 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 32 14.825 15.642 -9.800 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.846 16.261 -11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.039 16.518 -9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.795 15.109 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.336 14.478 -11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.187 13.210 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.437 13.445 -10.767 1.00 0.00 H new ATOM 513 N THR A 33 13.292 16.325 -6.568 1.00 0.00 N ATOM 514 CA THR A 33 12.999 17.698 -6.194 1.00 0.00 C ATOM 515 C THR A 33 14.033 18.209 -5.189 1.00 0.00 C ATOM 516 O THR A 33 14.547 19.318 -5.332 1.00 0.00 O ATOM 517 CB THR A 33 11.563 17.750 -5.668 1.00 0.00 C ATOM 518 OG1 THR A 33 10.774 17.305 -6.768 1.00 0.00 O ATOM 519 CG2 THR A 33 11.082 19.180 -5.418 1.00 0.00 C ATOM 0 H THR A 33 12.561 15.654 -6.333 1.00 0.00 H new ATOM 0 HA THR A 33 13.069 18.365 -7.053 1.00 0.00 H new ATOM 0 HB THR A 33 11.495 17.178 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.776 16.325 -6.797 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.058 19.160 -5.046 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.727 19.657 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.118 19.744 -6.350 1.00 0.00 H new ATOM 527 N LYS A 34 14.307 17.377 -4.196 1.00 0.00 N ATOM 528 CA LYS A 34 15.271 17.731 -3.168 1.00 0.00 C ATOM 529 C LYS A 34 16.681 17.681 -3.758 1.00 0.00 C ATOM 530 O LYS A 34 17.520 18.527 -3.445 1.00 0.00 O ATOM 531 CB LYS A 34 15.088 16.845 -1.933 1.00 0.00 C ATOM 532 CG LYS A 34 16.161 17.139 -0.884 1.00 0.00 C ATOM 533 CD LYS A 34 16.899 15.860 -0.481 1.00 0.00 C ATOM 534 CE LYS A 34 16.208 15.176 0.700 1.00 0.00 C ATOM 535 NZ LYS A 34 16.644 15.783 1.977 1.00 0.00 N ATOM 0 H LYS A 34 13.879 16.459 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 34 15.105 18.752 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.100 17.012 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.136 15.796 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.872 17.864 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.701 17.590 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.939 15.176 -1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.929 16.099 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.127 15.266 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.441 14.111 0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.166 15.307 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.673 15.675 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.400 16.794 1.982 1.00 0.00 H new ATOM 549 N TYR A 35 16.901 16.682 -4.599 1.00 0.00 N ATOM 550 CA TYR A 35 18.197 16.510 -5.236 1.00 0.00 C ATOM 551 C TYR A 35 18.258 17.265 -6.565 1.00 0.00 C ATOM 552 O TYR A 35 19.139 17.013 -7.386 1.00 0.00 O ATOM 553 CB TYR A 35 18.337 15.011 -5.507 1.00 0.00 C ATOM 554 CG TYR A 35 19.656 14.622 -6.178 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.812 14.531 -5.430 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.689 14.361 -7.533 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.052 14.165 -6.062 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.931 13.995 -8.166 1.00 0.00 C ATOM 559 CZ TYR A 35 22.050 13.915 -7.399 1.00 0.00 C ATOM 560 OH TYR A 35 23.223 13.568 -7.995 1.00 0.00 O ATOM 0 H TYR A 35 16.204 15.983 -4.855 1.00 0.00 H new ATOM 0 HA TYR A 35 18.993 16.896 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.248 14.472 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.510 14.687 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.786 14.735 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.784 14.431 -8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.964 14.091 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.971 13.789 -9.225 1.00 0.00 H new ATOM 0 HH TYR A 35 23.791 13.097 -7.350 1.00 0.00 H new ATOM 570 N LEU A 36 17.312 18.177 -6.736 1.00 0.00 N ATOM 571 CA LEU A 36 17.248 18.970 -7.952 1.00 0.00 C ATOM 572 C LEU A 36 18.406 19.968 -7.965 1.00 0.00 C ATOM 573 O LEU A 36 19.132 20.069 -8.954 1.00 0.00 O ATOM 574 CB LEU A 36 15.871 19.623 -8.093 1.00 0.00 C ATOM 575 CG LEU A 36 15.727 20.646 -9.222 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.468 21.942 -8.886 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.183 20.055 -10.558 1.00 0.00 C ATOM 0 H LEU A 36 16.584 18.384 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 36 17.365 18.334 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.132 18.837 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.625 20.114 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 36 14.671 20.896 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.350 22.652 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.056 22.370 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.527 21.729 -8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.071 20.802 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.229 19.758 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.574 19.183 -10.797 1.00 0.00 H new ATOM 589 N GLU A 37 18.546 20.681 -6.857 1.00 0.00 N ATOM 590 CA GLU A 37 19.604 21.668 -6.730 1.00 0.00 C ATOM 591 C GLU A 37 20.866 21.022 -6.156 1.00 0.00 C ATOM 592 O GLU A 37 21.922 21.650 -6.106 1.00 0.00 O ATOM 593 CB GLU A 37 19.152 22.849 -5.868 1.00 0.00 C ATOM 594 CG GLU A 37 18.945 22.419 -4.414 1.00 0.00 C ATOM 595 CD GLU A 37 19.687 23.352 -3.455 1.00 0.00 C ATOM 596 OE1 GLU A 37 20.916 23.493 -3.638 1.00 0.00 O ATOM 597 OE2 GLU A 37 19.010 23.902 -2.560 1.00 0.00 O ATOM 0 H GLU A 37 17.944 20.594 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 37 19.836 22.053 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 37 19.897 23.643 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.224 23.260 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.881 22.421 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.299 21.397 -4.279 1.00 0.00 H new ATOM 604 N GLU A 38 20.715 19.774 -5.737 1.00 0.00 N ATOM 605 CA GLU A 38 21.829 19.035 -5.169 1.00 0.00 C ATOM 606 C GLU A 38 22.642 18.364 -6.278 1.00 0.00 C ATOM 607 O GLU A 38 23.817 18.053 -6.089 1.00 0.00 O ATOM 608 CB GLU A 38 21.341 18.005 -4.148 1.00 0.00 C ATOM 609 CG GLU A 38 22.353 17.837 -3.012 1.00 0.00 C ATOM 610 CD GLU A 38 22.450 19.111 -2.171 1.00 0.00 C ATOM 611 OE1 GLU A 38 21.447 19.421 -1.493 1.00 0.00 O ATOM 612 OE2 GLU A 38 23.525 19.747 -2.226 1.00 0.00 O ATOM 0 H GLU A 38 19.837 19.256 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 38 22.476 19.739 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.380 18.319 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.180 17.046 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.058 17.000 -2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.332 17.594 -3.425 1.00 0.00 H new ATOM 619 N HIS A 39 21.984 18.162 -7.410 1.00 0.00 N ATOM 620 CA HIS A 39 22.632 17.534 -8.550 1.00 0.00 C ATOM 621 C HIS A 39 23.967 18.226 -8.827 1.00 0.00 C ATOM 622 O HIS A 39 24.016 19.444 -8.998 1.00 0.00 O ATOM 623 CB HIS A 39 21.704 17.527 -9.766 1.00 0.00 C ATOM 624 CG HIS A 39 22.096 16.532 -10.832 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.047 16.824 -12.184 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.545 15.248 -10.732 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.450 15.756 -12.857 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.758 14.781 -11.955 1.00 0.00 N ATOM 0 H HIS A 39 21.009 18.422 -7.563 1.00 0.00 H new ATOM 0 HA HIS A 39 22.845 16.490 -8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.689 17.308 -9.434 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.688 18.525 -10.204 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.751 17.710 -12.593 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.701 14.704 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.522 15.673 -13.931 1.00 0.00 H new ATOM 636 N PRO A 40 25.047 17.400 -8.865 1.00 0.00 N ATOM 637 CA PRO A 40 26.379 17.919 -9.119 1.00 0.00 C ATOM 638 C PRO A 40 26.557 18.276 -10.596 1.00 0.00 C ATOM 639 O PRO A 40 27.299 19.197 -10.932 1.00 0.00 O ATOM 640 CB PRO A 40 27.324 16.824 -8.653 1.00 0.00 C ATOM 641 CG PRO A 40 26.491 15.554 -8.590 1.00 0.00 C ATOM 642 CD PRO A 40 25.027 15.954 -8.667 1.00 0.00 C ATOM 0 HA PRO A 40 26.576 18.849 -8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.160 16.709 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.747 17.062 -7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.749 14.887 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.691 15.012 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.521 15.449 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.495 15.687 -7.754 1.00 0.00 H new ATOM 650 N GLY A 41 25.864 17.524 -11.440 1.00 0.00 N ATOM 651 CA GLY A 41 25.936 17.748 -12.874 1.00 0.00 C ATOM 652 C GLY A 41 25.361 19.117 -13.244 1.00 0.00 C ATOM 653 O GLY A 41 26.093 20.005 -13.678 1.00 0.00 O ATOM 0 H GLY A 41 25.250 16.760 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.973 17.684 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.386 16.965 -13.396 1.00 0.00 H new ATOM 657 N GLY A 42 24.055 19.244 -13.059 1.00 0.00 N ATOM 658 CA GLY A 42 23.373 20.489 -13.369 1.00 0.00 C ATOM 659 C GLY A 42 21.907 20.434 -12.936 1.00 0.00 C ATOM 660 O GLY A 42 21.295 19.367 -12.938 1.00 0.00 O ATOM 0 H GLY A 42 23.451 18.505 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.873 21.317 -12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.432 20.683 -14.440 1.00 0.00 H new ATOM 664 N GLU A 43 21.386 21.597 -12.572 1.00 0.00 N ATOM 665 CA GLU A 43 20.003 21.694 -12.138 1.00 0.00 C ATOM 666 C GLU A 43 19.078 21.869 -13.343 1.00 0.00 C ATOM 667 O GLU A 43 17.956 21.365 -13.347 1.00 0.00 O ATOM 668 CB GLU A 43 19.823 22.838 -11.137 1.00 0.00 C ATOM 669 CG GLU A 43 20.102 24.191 -11.796 1.00 0.00 C ATOM 670 CD GLU A 43 20.731 25.168 -10.799 1.00 0.00 C ATOM 671 OE1 GLU A 43 21.798 24.813 -10.254 1.00 0.00 O ATOM 672 OE2 GLU A 43 20.130 26.246 -10.605 1.00 0.00 O ATOM 0 H GLU A 43 21.897 22.480 -12.569 1.00 0.00 H new ATOM 0 HA GLU A 43 19.735 20.766 -11.633 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.807 22.824 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.496 22.696 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.769 24.054 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.173 24.609 -12.184 1.00 0.00 H new ATOM 679 N GLU A 44 19.583 22.585 -14.337 1.00 0.00 N ATOM 680 CA GLU A 44 18.816 22.832 -15.546 1.00 0.00 C ATOM 681 C GLU A 44 18.642 21.534 -16.340 1.00 0.00 C ATOM 682 O GLU A 44 17.522 21.150 -16.668 1.00 0.00 O ATOM 683 CB GLU A 44 19.476 23.914 -16.403 1.00 0.00 C ATOM 684 CG GLU A 44 19.551 25.242 -15.646 1.00 0.00 C ATOM 685 CD GLU A 44 18.761 26.332 -16.374 1.00 0.00 C ATOM 686 OE1 GLU A 44 17.621 26.028 -16.787 1.00 0.00 O ATOM 687 OE2 GLU A 44 19.315 27.445 -16.500 1.00 0.00 O ATOM 0 H GLU A 44 20.514 23.002 -14.330 1.00 0.00 H new ATOM 0 HA GLU A 44 17.829 23.194 -15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.479 23.596 -16.688 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.910 24.048 -17.325 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.156 25.113 -14.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.592 25.549 -15.544 1.00 0.00 H new ATOM 694 N VAL A 45 19.768 20.897 -16.623 1.00 0.00 N ATOM 695 CA VAL A 45 19.756 19.652 -17.371 1.00 0.00 C ATOM 696 C VAL A 45 18.575 18.795 -16.906 1.00 0.00 C ATOM 697 O VAL A 45 18.028 18.013 -17.683 1.00 0.00 O ATOM 698 CB VAL A 45 21.102 18.940 -17.228 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.702 19.176 -15.841 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.967 17.446 -17.520 1.00 0.00 C ATOM 0 H VAL A 45 20.695 21.220 -16.348 1.00 0.00 H new ATOM 0 HA VAL A 45 19.619 19.848 -18.435 1.00 0.00 H new ATOM 0 HB VAL A 45 21.784 19.364 -17.965 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.659 18.659 -15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.854 20.244 -15.687 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.022 18.793 -15.080 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.939 16.965 -17.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.261 17.001 -16.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.605 17.306 -18.538 1.00 0.00 H new ATOM 710 N LEU A 46 18.217 18.973 -15.644 1.00 0.00 N ATOM 711 CA LEU A 46 17.112 18.226 -15.067 1.00 0.00 C ATOM 712 C LEU A 46 15.800 18.956 -15.362 1.00 0.00 C ATOM 713 O LEU A 46 14.919 18.414 -16.027 1.00 0.00 O ATOM 714 CB LEU A 46 17.355 17.975 -13.577 1.00 0.00 C ATOM 715 CG LEU A 46 18.808 17.724 -13.168 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.052 18.156 -11.721 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.199 16.264 -13.404 1.00 0.00 C ATOM 0 H LEU A 46 18.672 19.624 -15.004 1.00 0.00 H new ATOM 0 HA LEU A 46 17.038 17.240 -15.525 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.984 18.835 -13.019 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.759 17.115 -13.271 1.00 0.00 H new ATOM 0 HG LEU A 46 19.452 18.336 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.092 17.967 -11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.839 19.220 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.399 17.589 -11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.236 16.112 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.553 15.614 -12.814 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.087 16.024 -14.461 1.00 0.00 H new ATOM 729 N ARG A 47 15.712 20.176 -14.852 1.00 0.00 N ATOM 730 CA ARG A 47 14.522 20.987 -15.052 1.00 0.00 C ATOM 731 C ARG A 47 14.238 21.154 -16.546 1.00 0.00 C ATOM 732 O ARG A 47 13.155 20.815 -17.018 1.00 0.00 O ATOM 733 CB ARG A 47 14.682 22.367 -14.411 1.00 0.00 C ATOM 734 CG ARG A 47 14.830 22.254 -12.893 1.00 0.00 C ATOM 735 CD ARG A 47 13.980 23.307 -12.179 1.00 0.00 C ATOM 736 NE ARG A 47 14.826 24.448 -11.769 1.00 0.00 N ATOM 737 CZ ARG A 47 15.017 25.547 -12.511 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.422 25.661 -13.706 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.803 26.534 -12.057 1.00 0.00 N ATOM 0 H ARG A 47 16.445 20.623 -14.301 1.00 0.00 H new ATOM 0 HA ARG A 47 13.687 20.473 -14.576 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.556 22.866 -14.829 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.817 22.985 -14.650 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.530 21.258 -12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.877 22.378 -12.616 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.184 23.653 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.500 22.867 -11.305 1.00 0.00 H new ATOM 0 HE ARG A 47 15.294 24.395 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.823 24.911 -14.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.568 26.498 -14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.255 26.448 -11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.949 27.371 -12.622 1.00 0.00 H new ATOM 753 N GLU A 48 15.233 21.679 -17.248 1.00 0.00 N ATOM 754 CA GLU A 48 15.104 21.896 -18.679 1.00 0.00 C ATOM 755 C GLU A 48 14.239 20.800 -19.307 1.00 0.00 C ATOM 756 O GLU A 48 13.354 21.088 -20.111 1.00 0.00 O ATOM 757 CB GLU A 48 16.477 21.960 -19.350 1.00 0.00 C ATOM 758 CG GLU A 48 16.353 22.385 -20.814 1.00 0.00 C ATOM 759 CD GLU A 48 16.522 23.898 -20.964 1.00 0.00 C ATOM 760 OE1 GLU A 48 17.509 24.417 -20.398 1.00 0.00 O ATOM 761 OE2 GLU A 48 15.661 24.501 -21.639 1.00 0.00 O ATOM 0 H GLU A 48 16.130 21.960 -16.853 1.00 0.00 H new ATOM 0 HA GLU A 48 14.613 22.856 -18.837 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.114 22.665 -18.816 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.961 20.985 -19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.107 21.871 -21.410 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.380 22.084 -21.202 1.00 0.00 H new ATOM 768 N GLN A 49 14.525 19.568 -18.915 1.00 0.00 N ATOM 769 CA GLN A 49 13.784 18.428 -19.428 1.00 0.00 C ATOM 770 C GLN A 49 13.383 17.496 -18.284 1.00 0.00 C ATOM 771 O GLN A 49 13.648 16.295 -18.334 1.00 0.00 O ATOM 772 CB GLN A 49 14.596 17.678 -20.487 1.00 0.00 C ATOM 773 CG GLN A 49 15.924 17.185 -19.912 1.00 0.00 C ATOM 774 CD GLN A 49 17.061 17.367 -20.920 1.00 0.00 C ATOM 775 OE1 GLN A 49 18.038 16.472 -20.801 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 17.051 18.260 -21.751 1.00 0.00 N flip ATOM 0 H GLN A 49 15.260 19.334 -18.248 1.00 0.00 H new ATOM 0 HA GLN A 49 12.876 18.796 -19.906 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.020 16.831 -20.859 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.785 18.333 -21.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.153 17.732 -18.997 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.839 16.133 -19.641 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.269 18.914 -21.788 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.825 18.353 -22.409 1.00 0.00 H new ATOM 785 N ALA A 50 12.751 18.083 -17.279 1.00 0.00 N ATOM 786 CA ALA A 50 12.310 17.320 -16.124 1.00 0.00 C ATOM 787 C ALA A 50 11.107 16.459 -16.515 1.00 0.00 C ATOM 788 O ALA A 50 11.270 15.316 -16.937 1.00 0.00 O ATOM 789 CB ALA A 50 11.992 18.276 -14.972 1.00 0.00 C ATOM 0 H ALA A 50 12.534 19.079 -17.240 1.00 0.00 H new ATOM 0 HA ALA A 50 13.099 16.649 -15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.661 17.704 -14.105 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.886 18.843 -14.713 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.202 18.963 -15.277 1.00 0.00 H new ATOM 795 N GLY A 51 9.927 17.043 -16.360 1.00 0.00 N ATOM 796 CA GLY A 51 8.697 16.343 -16.692 1.00 0.00 C ATOM 797 C GLY A 51 8.850 15.554 -17.994 1.00 0.00 C ATOM 798 O GLY A 51 8.252 14.490 -18.153 1.00 0.00 O ATOM 0 H GLY A 51 9.797 17.992 -16.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.430 15.665 -15.881 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.882 17.060 -16.790 1.00 0.00 H new ATOM 802 N GLY A 52 9.655 16.104 -18.891 1.00 0.00 N ATOM 803 CA GLY A 52 9.893 15.465 -20.174 1.00 0.00 C ATOM 804 C GLY A 52 10.498 14.072 -19.989 1.00 0.00 C ATOM 805 O GLY A 52 10.098 13.332 -19.091 1.00 0.00 O ATOM 0 H GLY A 52 10.151 16.985 -18.755 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.956 15.388 -20.725 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.565 16.081 -20.772 1.00 0.00 H new ATOM 809 N ASP A 53 11.451 13.756 -20.852 1.00 0.00 N ATOM 810 CA ASP A 53 12.115 12.465 -20.796 1.00 0.00 C ATOM 811 C ASP A 53 13.630 12.672 -20.855 1.00 0.00 C ATOM 812 O ASP A 53 14.167 13.058 -21.892 1.00 0.00 O ATOM 813 CB ASP A 53 11.711 11.584 -21.979 1.00 0.00 C ATOM 814 CG ASP A 53 12.161 12.097 -23.348 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.414 12.919 -23.921 1.00 0.00 O ATOM 816 OD2 ASP A 53 13.242 11.654 -23.793 1.00 0.00 O ATOM 0 H ASP A 53 11.780 14.372 -21.595 1.00 0.00 H new ATOM 0 HA ASP A 53 11.821 11.976 -19.867 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.123 10.586 -21.828 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.626 11.483 -21.984 1.00 0.00 H new ATOM 821 N ALA A 54 14.277 12.406 -19.730 1.00 0.00 N ATOM 822 CA ALA A 54 15.720 12.559 -19.642 1.00 0.00 C ATOM 823 C ALA A 54 16.360 11.187 -19.421 1.00 0.00 C ATOM 824 O ALA A 54 17.418 11.084 -18.803 1.00 0.00 O ATOM 825 CB ALA A 54 16.060 13.548 -18.525 1.00 0.00 C ATOM 0 H ALA A 54 13.829 12.085 -18.872 1.00 0.00 H new ATOM 0 HA ALA A 54 16.122 12.965 -20.571 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.142 13.663 -18.458 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.605 14.514 -18.743 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.676 13.172 -17.577 1.00 0.00 H new ATOM 831 N THR A 55 15.692 10.167 -19.940 1.00 0.00 N ATOM 832 CA THR A 55 16.184 8.805 -19.809 1.00 0.00 C ATOM 833 C THR A 55 17.578 8.680 -20.426 1.00 0.00 C ATOM 834 O THR A 55 18.537 8.335 -19.738 1.00 0.00 O ATOM 835 CB THR A 55 15.152 7.868 -20.440 1.00 0.00 C ATOM 836 OG1 THR A 55 14.136 7.752 -19.447 1.00 0.00 O ATOM 837 CG2 THR A 55 15.680 6.441 -20.600 1.00 0.00 C ATOM 0 H THR A 55 14.814 10.256 -20.452 1.00 0.00 H new ATOM 0 HA THR A 55 16.301 8.525 -18.762 1.00 0.00 H new ATOM 0 HB THR A 55 14.855 8.257 -21.414 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.916 8.641 -19.099 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.909 5.816 -21.052 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.562 6.449 -21.240 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.945 6.039 -19.622 1.00 0.00 H new ATOM 845 N GLU A 56 17.645 8.967 -21.718 1.00 0.00 N ATOM 846 CA GLU A 56 18.906 8.890 -22.437 1.00 0.00 C ATOM 847 C GLU A 56 19.890 9.928 -21.895 1.00 0.00 C ATOM 848 O GLU A 56 21.078 9.646 -21.747 1.00 0.00 O ATOM 849 CB GLU A 56 18.692 9.069 -23.941 1.00 0.00 C ATOM 850 CG GLU A 56 17.823 7.946 -24.509 1.00 0.00 C ATOM 851 CD GLU A 56 16.448 8.471 -24.924 1.00 0.00 C ATOM 852 OE1 GLU A 56 16.393 9.648 -25.343 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.482 7.686 -24.811 1.00 0.00 O ATOM 0 H GLU A 56 16.847 9.253 -22.285 1.00 0.00 H new ATOM 0 HA GLU A 56 19.331 7.899 -22.280 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.219 10.032 -24.132 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.656 9.081 -24.450 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.319 7.497 -25.370 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.706 7.160 -23.763 1.00 0.00 H new ATOM 860 N ASN A 57 19.359 11.109 -21.613 1.00 0.00 N ATOM 861 CA ASN A 57 20.175 12.191 -21.091 1.00 0.00 C ATOM 862 C ASN A 57 20.693 11.810 -19.702 1.00 0.00 C ATOM 863 O ASN A 57 21.623 12.433 -19.190 1.00 0.00 O ATOM 864 CB ASN A 57 19.360 13.479 -20.954 1.00 0.00 C ATOM 865 CG ASN A 57 19.609 14.414 -22.139 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.584 14.503 -22.982 1.00 0.00 O flip ATOM 867 ND2 ASN A 57 20.661 15.016 -22.278 1.00 0.00 N flip ATOM 0 H ASN A 57 18.373 11.340 -21.736 1.00 0.00 H new ATOM 0 HA ASN A 57 20.999 12.357 -21.786 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.299 13.237 -20.894 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.625 13.984 -20.025 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.408 14.902 -21.593 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.793 15.633 -23.079 1.00 0.00 H new ATOM 874 N PHE A 58 20.071 10.788 -19.134 1.00 0.00 N ATOM 875 CA PHE A 58 20.458 10.315 -17.816 1.00 0.00 C ATOM 876 C PHE A 58 21.388 9.105 -17.918 1.00 0.00 C ATOM 877 O PHE A 58 22.358 8.997 -17.169 1.00 0.00 O ATOM 878 CB PHE A 58 19.175 9.897 -17.096 1.00 0.00 C ATOM 879 CG PHE A 58 19.409 9.270 -15.720 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.853 10.039 -14.689 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.171 7.945 -15.528 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.070 9.457 -13.412 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.389 7.364 -14.250 1.00 0.00 C ATOM 884 CZ PHE A 58 19.834 8.131 -13.220 1.00 0.00 C ATOM 0 H PHE A 58 19.301 10.274 -19.563 1.00 0.00 H new ATOM 0 HA PHE A 58 20.988 11.102 -17.280 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.534 10.771 -16.981 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.635 9.186 -17.721 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.040 11.092 -14.842 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.817 7.335 -16.346 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.422 10.067 -12.593 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.201 6.312 -14.097 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.000 7.688 -12.249 1.00 0.00 H new ATOM 894 N GLU A 59 21.061 8.224 -18.852 1.00 0.00 N ATOM 895 CA GLU A 59 21.855 7.025 -19.062 1.00 0.00 C ATOM 896 C GLU A 59 23.099 7.352 -19.890 1.00 0.00 C ATOM 897 O GLU A 59 24.154 6.750 -19.695 1.00 0.00 O ATOM 898 CB GLU A 59 21.023 5.927 -19.729 1.00 0.00 C ATOM 899 CG GLU A 59 19.948 5.399 -18.777 1.00 0.00 C ATOM 900 CD GLU A 59 20.047 3.879 -18.628 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.371 3.229 -19.646 1.00 0.00 O ATOM 902 OE2 GLU A 59 19.795 3.402 -17.501 1.00 0.00 O ATOM 0 H GLU A 59 20.257 8.317 -19.472 1.00 0.00 H new ATOM 0 HA GLU A 59 22.178 6.650 -18.091 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.554 6.319 -20.632 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.674 5.109 -20.038 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.057 5.872 -17.801 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.961 5.668 -19.152 1.00 0.00 H new ATOM 909 N ASP A 60 22.934 8.303 -20.797 1.00 0.00 N ATOM 910 CA ASP A 60 24.031 8.716 -21.655 1.00 0.00 C ATOM 911 C ASP A 60 25.204 9.177 -20.790 1.00 0.00 C ATOM 912 O ASP A 60 26.350 8.807 -21.041 1.00 0.00 O ATOM 913 CB ASP A 60 23.618 9.884 -22.554 1.00 0.00 C ATOM 914 CG ASP A 60 24.697 10.367 -23.524 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.888 9.678 -24.550 1.00 0.00 O ATOM 916 OD2 ASP A 60 25.308 11.413 -23.218 1.00 0.00 O ATOM 0 H ASP A 60 22.057 8.799 -20.956 1.00 0.00 H new ATOM 0 HA ASP A 60 24.312 7.865 -22.276 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.741 9.588 -23.129 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.318 10.720 -21.923 1.00 0.00 H new ATOM 921 N VAL A 61 24.879 9.981 -19.788 1.00 0.00 N ATOM 922 CA VAL A 61 25.891 10.498 -18.883 1.00 0.00 C ATOM 923 C VAL A 61 26.495 9.341 -18.085 1.00 0.00 C ATOM 924 O VAL A 61 27.580 9.470 -17.521 1.00 0.00 O ATOM 925 CB VAL A 61 25.292 11.589 -17.994 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.585 12.654 -18.834 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.341 10.988 -16.957 1.00 0.00 C ATOM 0 H VAL A 61 23.928 10.287 -19.583 1.00 0.00 H new ATOM 0 HA VAL A 61 26.701 10.964 -19.444 1.00 0.00 H new ATOM 0 HB VAL A 61 26.109 12.073 -17.459 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.168 13.418 -18.177 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.300 13.113 -19.516 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.782 12.191 -19.408 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.928 11.784 -16.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.530 10.467 -17.466 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.886 10.284 -16.328 1.00 0.00 H new ATOM 937 N GLY A 62 25.766 8.235 -18.065 1.00 0.00 N ATOM 938 CA GLY A 62 26.216 7.055 -17.345 1.00 0.00 C ATOM 939 C GLY A 62 26.324 7.336 -15.845 1.00 0.00 C ATOM 940 O GLY A 62 27.405 7.633 -15.341 1.00 0.00 O ATOM 0 H GLY A 62 24.867 8.131 -18.536 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.520 6.233 -17.516 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.185 6.737 -17.730 1.00 0.00 H new ATOM 944 N HIS A 63 25.186 7.232 -15.172 1.00 0.00 N ATOM 945 CA HIS A 63 25.139 7.471 -13.740 1.00 0.00 C ATOM 946 C HIS A 63 25.844 6.330 -13.006 1.00 0.00 C ATOM 947 O HIS A 63 25.689 5.164 -13.368 1.00 0.00 O ATOM 948 CB HIS A 63 23.696 7.677 -13.271 1.00 0.00 C ATOM 949 CG HIS A 63 23.152 9.057 -13.546 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.890 9.519 -14.824 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.822 10.071 -12.694 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.425 10.757 -14.733 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.384 11.097 -13.413 1.00 0.00 N ATOM 0 H HIS A 63 24.290 6.985 -15.593 1.00 0.00 H new ATOM 0 HA HIS A 63 25.672 8.392 -13.503 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.057 6.942 -13.761 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.642 7.483 -12.200 1.00 0.00 H new ATOM 0 HD1 HIS A 63 23.031 8.996 -15.688 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.903 10.043 -11.617 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.130 11.386 -15.560 1.00 0.00 H new ATOM 961 N SER A 64 26.605 6.705 -11.988 1.00 0.00 N ATOM 962 CA SER A 64 27.336 5.726 -11.200 1.00 0.00 C ATOM 963 C SER A 64 26.406 5.086 -10.168 1.00 0.00 C ATOM 964 O SER A 64 25.280 5.545 -9.972 1.00 0.00 O ATOM 965 CB SER A 64 28.539 6.367 -10.505 1.00 0.00 C ATOM 966 OG SER A 64 28.261 7.697 -10.074 1.00 0.00 O ATOM 0 H SER A 64 26.731 7.672 -11.691 1.00 0.00 H new ATOM 0 HA SER A 64 27.708 4.953 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.827 5.761 -9.646 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.389 6.377 -11.187 1.00 0.00 H new ATOM 0 HG SER A 64 29.053 8.071 -9.634 1.00 0.00 H new ATOM 972 N THR A 65 26.910 4.038 -9.533 1.00 0.00 N ATOM 973 CA THR A 65 26.137 3.331 -8.526 1.00 0.00 C ATOM 974 C THR A 65 25.581 4.313 -7.494 1.00 0.00 C ATOM 975 O THR A 65 24.423 4.207 -7.093 1.00 0.00 O ATOM 976 CB THR A 65 27.034 2.251 -7.916 1.00 0.00 C ATOM 977 OG1 THR A 65 26.722 1.078 -8.662 1.00 0.00 O ATOM 978 CG2 THR A 65 26.633 1.899 -6.482 1.00 0.00 C ATOM 0 H THR A 65 27.844 3.662 -9.696 1.00 0.00 H new ATOM 0 HA THR A 65 25.267 2.843 -8.965 1.00 0.00 H new ATOM 0 HB THR A 65 28.070 2.589 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.261 0.328 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.301 1.129 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.705 2.788 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.608 1.529 -6.471 1.00 0.00 H new ATOM 986 N ASP A 66 26.431 5.248 -7.094 1.00 0.00 N ATOM 987 CA ASP A 66 26.037 6.248 -6.117 1.00 0.00 C ATOM 988 C ASP A 66 24.640 6.768 -6.459 1.00 0.00 C ATOM 989 O ASP A 66 23.816 6.977 -5.570 1.00 0.00 O ATOM 990 CB ASP A 66 27.000 7.437 -6.128 1.00 0.00 C ATOM 991 CG ASP A 66 28.349 7.184 -5.451 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.409 7.372 -4.217 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.289 6.808 -6.184 1.00 0.00 O ATOM 0 H ASP A 66 27.391 5.334 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 66 26.051 5.781 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.179 7.730 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.517 8.281 -5.636 1.00 0.00 H new ATOM 998 N ALA A 67 24.415 6.962 -7.750 1.00 0.00 N ATOM 999 CA ALA A 67 23.132 7.453 -8.221 1.00 0.00 C ATOM 1000 C ALA A 67 22.065 6.380 -7.995 1.00 0.00 C ATOM 1001 O ALA A 67 20.978 6.675 -7.499 1.00 0.00 O ATOM 1002 CB ALA A 67 23.248 7.858 -9.692 1.00 0.00 C ATOM 0 H ALA A 67 25.101 6.788 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 67 22.832 8.339 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.285 8.226 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.997 8.643 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.545 6.993 -10.285 1.00 0.00 H new ATOM 1008 N ARG A 68 22.413 5.157 -8.367 1.00 0.00 N ATOM 1009 CA ARG A 68 21.498 4.039 -8.210 1.00 0.00 C ATOM 1010 C ARG A 68 20.774 4.130 -6.866 1.00 0.00 C ATOM 1011 O ARG A 68 19.552 3.999 -6.805 1.00 0.00 O ATOM 1012 CB ARG A 68 22.242 2.704 -8.291 1.00 0.00 C ATOM 1013 CG ARG A 68 21.456 1.687 -9.121 1.00 0.00 C ATOM 1014 CD ARG A 68 22.385 0.895 -10.042 1.00 0.00 C ATOM 1015 NE ARG A 68 22.835 -0.342 -9.366 1.00 0.00 N ATOM 1016 CZ ARG A 68 23.542 -1.310 -9.964 1.00 0.00 C ATOM 1017 NH1 ARG A 68 23.885 -1.190 -11.254 1.00 0.00 N ATOM 1018 NH2 ARG A 68 23.906 -2.399 -9.273 1.00 0.00 N ATOM 0 H ARG A 68 23.315 4.916 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 68 20.772 4.088 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.226 2.858 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.403 2.312 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.926 1.003 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.702 2.203 -9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.866 0.645 -10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 68 23.247 1.504 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 68 22.592 -0.465 -8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.608 -0.362 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.423 -1.927 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.645 -2.491 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 68 24.444 -3.136 -9.729 1.00 0.00 H new ATOM 1032 N GLU A 69 21.557 4.355 -5.822 1.00 0.00 N ATOM 1033 CA GLU A 69 21.006 4.465 -4.482 1.00 0.00 C ATOM 1034 C GLU A 69 20.041 5.652 -4.401 1.00 0.00 C ATOM 1035 O GLU A 69 18.898 5.498 -3.976 1.00 0.00 O ATOM 1036 CB GLU A 69 22.118 4.592 -3.439 1.00 0.00 C ATOM 1037 CG GLU A 69 22.535 3.217 -2.914 1.00 0.00 C ATOM 1038 CD GLU A 69 23.489 3.349 -1.725 1.00 0.00 C ATOM 1039 OE1 GLU A 69 22.972 3.472 -0.594 1.00 0.00 O ATOM 1040 OE2 GLU A 69 24.714 3.327 -1.974 1.00 0.00 O ATOM 0 H GLU A 69 22.570 4.464 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 69 20.451 3.553 -4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.979 5.094 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.776 5.213 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.651 2.655 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 69 23.018 2.651 -3.711 1.00 0.00 H new ATOM 1047 N LEU A 70 20.540 6.807 -4.816 1.00 0.00 N ATOM 1048 CA LEU A 70 19.737 8.018 -4.795 1.00 0.00 C ATOM 1049 C LEU A 70 18.473 7.801 -5.628 1.00 0.00 C ATOM 1050 O LEU A 70 17.368 7.771 -5.089 1.00 0.00 O ATOM 1051 CB LEU A 70 20.570 9.220 -5.244 1.00 0.00 C ATOM 1052 CG LEU A 70 21.369 9.930 -4.149 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.924 8.924 -3.138 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.469 10.804 -4.752 1.00 0.00 C ATOM 0 H LEU A 70 21.489 6.930 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 70 19.414 8.244 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.265 8.887 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.903 9.946 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 70 20.694 10.593 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.488 9.453 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.100 8.382 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.580 8.219 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.021 11.297 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.150 10.182 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.021 11.557 -5.401 1.00 0.00 H new ATOM 1066 N SER A 71 18.677 7.654 -6.929 1.00 0.00 N ATOM 1067 CA SER A 71 17.568 7.440 -7.842 1.00 0.00 C ATOM 1068 C SER A 71 16.466 6.635 -7.148 1.00 0.00 C ATOM 1069 O SER A 71 15.316 7.068 -7.097 1.00 0.00 O ATOM 1070 CB SER A 71 18.029 6.722 -9.112 1.00 0.00 C ATOM 1071 OG SER A 71 18.761 7.585 -9.977 1.00 0.00 O ATOM 0 H SER A 71 19.595 7.679 -7.373 1.00 0.00 H new ATOM 0 HA SER A 71 17.172 8.413 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.650 5.869 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.161 6.329 -9.642 1.00 0.00 H new ATOM 0 HG SER A 71 18.173 7.908 -10.691 1.00 0.00 H new ATOM 1077 N LYS A 72 16.858 5.480 -6.632 1.00 0.00 N ATOM 1078 CA LYS A 72 15.919 4.611 -5.944 1.00 0.00 C ATOM 1079 C LYS A 72 15.292 5.371 -4.773 1.00 0.00 C ATOM 1080 O LYS A 72 14.069 5.430 -4.650 1.00 0.00 O ATOM 1081 CB LYS A 72 16.600 3.303 -5.533 1.00 0.00 C ATOM 1082 CG LYS A 72 16.033 2.120 -6.320 1.00 0.00 C ATOM 1083 CD LYS A 72 17.123 1.090 -6.625 1.00 0.00 C ATOM 1084 CE LYS A 72 16.536 -0.319 -6.715 1.00 0.00 C ATOM 1085 NZ LYS A 72 16.763 -0.890 -8.062 1.00 0.00 N ATOM 0 H LYS A 72 17.813 5.126 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 72 15.106 4.324 -6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.674 3.378 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.459 3.135 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.233 1.649 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.593 2.476 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.615 1.343 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.886 1.121 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.994 -0.959 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.467 -0.289 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.358 -1.847 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.306 -0.288 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.785 -0.937 -8.251 1.00 0.00 H new ATOM 1099 N THR A 73 16.158 5.933 -3.943 1.00 0.00 N ATOM 1100 CA THR A 73 15.704 6.687 -2.787 1.00 0.00 C ATOM 1101 C THR A 73 14.781 7.828 -3.221 1.00 0.00 C ATOM 1102 O THR A 73 13.861 8.197 -2.493 1.00 0.00 O ATOM 1103 CB THR A 73 16.938 7.165 -2.019 1.00 0.00 C ATOM 1104 OG1 THR A 73 16.972 6.333 -0.862 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.769 8.578 -1.458 1.00 0.00 C ATOM 0 H THR A 73 17.171 5.881 -4.048 1.00 0.00 H new ATOM 0 HA THR A 73 15.108 6.064 -2.120 1.00 0.00 H new ATOM 0 HB THR A 73 17.807 7.138 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.744 6.574 -0.308 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.673 8.867 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.593 9.276 -2.277 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.920 8.599 -0.774 1.00 0.00 H new ATOM 1113 N TYR A 74 15.058 8.352 -4.406 1.00 0.00 N ATOM 1114 CA TYR A 74 14.264 9.442 -4.947 1.00 0.00 C ATOM 1115 C TYR A 74 13.249 8.926 -5.966 1.00 0.00 C ATOM 1116 O TYR A 74 13.049 9.539 -7.014 1.00 0.00 O ATOM 1117 CB TYR A 74 15.252 10.372 -5.654 1.00 0.00 C ATOM 1118 CG TYR A 74 16.065 11.255 -4.704 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.241 10.782 -4.159 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.621 12.524 -4.393 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.006 11.612 -3.265 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.386 13.355 -3.498 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.541 12.858 -2.980 1.00 0.00 C ATOM 1124 OH TYR A 74 18.263 13.642 -2.135 1.00 0.00 O ATOM 0 H TYR A 74 15.822 8.042 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 74 13.711 9.945 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.938 9.771 -6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.703 11.010 -6.346 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.588 9.789 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.701 12.894 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.928 11.253 -2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.050 14.350 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 74 19.214 13.416 -2.211 1.00 0.00 H new ATOM 1134 N ILE A 75 12.632 7.804 -5.625 1.00 0.00 N ATOM 1135 CA ILE A 75 11.640 7.199 -6.498 1.00 0.00 C ATOM 1136 C ILE A 75 10.280 7.201 -5.796 1.00 0.00 C ATOM 1137 O ILE A 75 10.197 6.953 -4.596 1.00 0.00 O ATOM 1138 CB ILE A 75 12.099 5.811 -6.948 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.553 5.476 -8.337 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.723 4.747 -5.913 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.296 4.284 -8.946 1.00 0.00 C ATOM 0 H ILE A 75 12.800 7.298 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 75 11.528 7.784 -7.411 1.00 0.00 H new ATOM 0 HB ILE A 75 13.186 5.819 -7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.489 5.249 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.653 6.343 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.061 3.769 -6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.199 4.981 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.641 4.732 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.888 4.067 -9.933 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.356 4.523 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.174 3.412 -8.303 1.00 0.00 H new ATOM 1153 N ILE A 76 9.248 7.483 -6.578 1.00 0.00 N ATOM 1154 CA ILE A 76 7.896 7.521 -6.047 1.00 0.00 C ATOM 1155 C ILE A 76 7.018 6.542 -6.829 1.00 0.00 C ATOM 1156 O ILE A 76 6.167 5.868 -6.252 1.00 0.00 O ATOM 1157 CB ILE A 76 7.362 8.955 -6.041 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.807 9.340 -7.413 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.433 9.935 -5.559 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.932 9.766 -8.359 1.00 0.00 C ATOM 0 H ILE A 76 9.321 7.687 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 76 7.887 7.198 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 76 6.534 9.009 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.267 8.495 -7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.090 10.154 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.029 10.947 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.738 9.671 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.296 9.886 -6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.511 10.035 -9.328 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.454 10.626 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.634 8.941 -8.485 1.00 0.00 H new ATOM 1172 N GLY A 77 7.257 6.494 -8.132 1.00 0.00 N ATOM 1173 CA GLY A 77 6.498 5.609 -9.000 1.00 0.00 C ATOM 1174 C GLY A 77 6.831 5.866 -10.471 1.00 0.00 C ATOM 1175 O GLY A 77 7.791 6.570 -10.781 1.00 0.00 O ATOM 0 H GLY A 77 7.965 7.053 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.718 4.571 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.431 5.758 -8.834 1.00 0.00 H new ATOM 1179 N GLU A 78 6.018 5.282 -11.338 1.00 0.00 N ATOM 1180 CA GLU A 78 6.214 5.439 -12.771 1.00 0.00 C ATOM 1181 C GLU A 78 5.041 6.205 -13.385 1.00 0.00 C ATOM 1182 O GLU A 78 4.030 6.436 -12.723 1.00 0.00 O ATOM 1183 CB GLU A 78 6.397 4.081 -13.451 1.00 0.00 C ATOM 1184 CG GLU A 78 5.098 3.274 -13.425 1.00 0.00 C ATOM 1185 CD GLU A 78 5.033 2.300 -14.604 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.586 2.746 -15.683 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.432 1.134 -14.399 1.00 0.00 O ATOM 0 H GLU A 78 5.222 4.699 -11.077 1.00 0.00 H new ATOM 0 HA GLU A 78 7.125 6.015 -12.933 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.718 4.227 -14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.186 3.522 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.028 2.721 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.244 3.951 -13.461 1.00 0.00 H new ATOM 1194 N LEU A 79 5.215 6.581 -14.644 1.00 0.00 N ATOM 1195 CA LEU A 79 4.184 7.316 -15.355 1.00 0.00 C ATOM 1196 C LEU A 79 3.439 6.365 -16.293 1.00 0.00 C ATOM 1197 O LEU A 79 4.025 5.419 -16.818 1.00 0.00 O ATOM 1198 CB LEU A 79 4.787 8.532 -16.064 1.00 0.00 C ATOM 1199 CG LEU A 79 5.462 8.257 -17.409 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.554 7.195 -17.267 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.430 7.879 -18.474 1.00 0.00 C ATOM 0 H LEU A 79 6.055 6.390 -15.190 1.00 0.00 H new ATOM 0 HA LEU A 79 3.449 7.714 -14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.996 9.266 -16.220 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.520 8.989 -15.399 1.00 0.00 H new ATOM 0 HG LEU A 79 5.946 9.175 -17.742 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.018 7.018 -18.237 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.309 7.542 -16.562 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.114 6.267 -16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.937 7.689 -19.420 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.896 6.981 -18.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.721 8.697 -18.600 1.00 0.00 H new ATOM 1213 N HIS A 80 2.157 6.647 -16.474 1.00 0.00 N ATOM 1214 CA HIS A 80 1.325 5.828 -17.338 1.00 0.00 C ATOM 1215 C HIS A 80 2.097 5.480 -18.613 1.00 0.00 C ATOM 1216 O HIS A 80 2.414 6.362 -19.412 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.009 6.520 -17.624 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.204 5.601 -17.559 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.436 5.932 -18.098 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.345 4.358 -17.015 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.271 4.927 -17.882 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.593 3.952 -17.210 1.00 0.00 N ATOM 0 H HIS A 80 1.674 7.432 -16.037 1.00 0.00 H new ATOM 0 HA HIS A 80 1.082 4.893 -16.834 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.147 7.330 -16.908 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.034 6.974 -18.614 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.571 3.799 -16.511 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.307 4.886 -18.185 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.981 3.059 -16.908 1.00 0.00 H new ATOM 1230 N PRO A 81 2.384 4.161 -18.768 1.00 0.00 N ATOM 1231 CA PRO A 81 3.113 3.685 -19.932 1.00 0.00 C ATOM 1232 C PRO A 81 2.216 3.671 -21.172 1.00 0.00 C ATOM 1233 O PRO A 81 2.667 3.330 -22.266 1.00 0.00 O ATOM 1234 CB PRO A 81 3.612 2.302 -19.546 1.00 0.00 C ATOM 1235 CG PRO A 81 2.760 1.865 -18.366 1.00 0.00 C ATOM 1236 CD PRO A 81 2.025 3.089 -17.844 1.00 0.00 C ATOM 0 HA PRO A 81 3.946 4.334 -20.200 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.513 1.605 -20.378 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.668 2.329 -19.276 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.051 1.095 -18.671 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.384 1.432 -17.584 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.947 2.926 -17.827 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.328 3.327 -16.824 1.00 0.00 H new ATOM 1244 N ASP A 82 0.963 4.046 -20.962 1.00 0.00 N ATOM 1245 CA ASP A 82 -0.001 4.082 -22.049 1.00 0.00 C ATOM 1246 C ASP A 82 0.202 5.360 -22.863 1.00 0.00 C ATOM 1247 O ASP A 82 0.044 5.355 -24.083 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.435 4.084 -21.513 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.509 3.716 -22.539 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -2.137 3.577 -23.725 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.677 3.585 -22.115 1.00 0.00 O ATOM 0 H ASP A 82 0.593 4.328 -20.054 1.00 0.00 H new ATOM 0 HA ASP A 82 0.152 3.196 -22.666 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.496 3.385 -20.679 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.657 5.075 -21.116 1.00 0.00 H new ATOM 1256 N ASP A 83 0.551 6.425 -22.156 1.00 0.00 N ATOM 1257 CA ASP A 83 0.778 7.709 -22.799 1.00 0.00 C ATOM 1258 C ASP A 83 2.282 7.927 -22.974 1.00 0.00 C ATOM 1259 O ASP A 83 2.701 8.807 -23.726 1.00 0.00 O ATOM 1260 CB ASP A 83 0.230 8.855 -21.948 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.267 8.776 -21.644 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -1.615 8.048 -20.688 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -2.031 9.444 -22.373 1.00 0.00 O ATOM 0 H ASP A 83 0.682 6.425 -21.144 1.00 0.00 H new ATOM 0 HA ASP A 83 0.268 7.699 -23.762 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.776 8.881 -21.005 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.432 9.796 -22.459 1.00 0.00 H new ATOM 1268 N ARG A 84 3.052 7.112 -22.269 1.00 0.00 N ATOM 1269 CA ARG A 84 4.501 7.205 -22.338 1.00 0.00 C ATOM 1270 C ARG A 84 4.980 6.976 -23.772 1.00 0.00 C ATOM 1271 O ARG A 84 5.941 7.603 -24.218 1.00 0.00 O ATOM 1272 CB ARG A 84 5.163 6.179 -21.416 1.00 0.00 C ATOM 1273 CG ARG A 84 6.625 6.543 -21.152 1.00 0.00 C ATOM 1274 CD ARG A 84 7.561 5.424 -21.615 1.00 0.00 C ATOM 1275 NE ARG A 84 8.784 6.003 -22.213 1.00 0.00 N ATOM 1276 CZ ARG A 84 8.917 6.299 -23.513 1.00 0.00 C ATOM 1277 NH1 ARG A 84 7.902 6.073 -24.359 1.00 0.00 N ATOM 1278 NH2 ARG A 84 10.064 6.821 -23.968 1.00 0.00 N ATOM 0 H ARG A 84 2.700 6.384 -21.647 1.00 0.00 H new ATOM 0 HA ARG A 84 4.785 8.206 -22.012 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.621 6.130 -20.472 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.107 5.189 -21.868 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.873 7.468 -21.673 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.771 6.727 -20.088 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.825 4.787 -20.771 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.054 4.792 -22.344 1.00 0.00 H new ATOM 0 HE ARG A 84 9.576 6.189 -21.597 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.029 5.676 -24.013 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.003 6.298 -25.349 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.837 6.993 -23.325 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.165 7.046 -24.958 1.00 0.00 H new ATOM 1292 N SER A 85 4.290 6.076 -24.457 1.00 0.00 N ATOM 1293 CA SER A 85 4.633 5.756 -25.832 1.00 0.00 C ATOM 1294 C SER A 85 4.361 6.963 -26.733 1.00 0.00 C ATOM 1295 O SER A 85 5.184 7.308 -27.580 1.00 0.00 O ATOM 1296 CB SER A 85 3.851 4.538 -26.326 1.00 0.00 C ATOM 1297 OG SER A 85 3.786 4.485 -27.748 1.00 0.00 O ATOM 0 H SER A 85 3.494 5.558 -24.085 1.00 0.00 H new ATOM 0 HA SER A 85 5.695 5.512 -25.872 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.321 3.629 -25.951 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.841 4.566 -25.918 1.00 0.00 H new ATOM 0 HG SER A 85 3.280 3.692 -28.023 1.00 0.00 H new ATOM 1303 N LYS A 86 3.202 7.570 -26.522 1.00 0.00 N ATOM 1304 CA LYS A 86 2.812 8.730 -27.304 1.00 0.00 C ATOM 1305 C LYS A 86 3.254 10.002 -26.578 1.00 0.00 C ATOM 1306 O LYS A 86 2.638 11.055 -26.732 1.00 0.00 O ATOM 1307 CB LYS A 86 1.313 8.688 -27.613 1.00 0.00 C ATOM 1308 CG LYS A 86 1.019 7.731 -28.771 1.00 0.00 C ATOM 1309 CD LYS A 86 -0.403 7.175 -28.674 1.00 0.00 C ATOM 1310 CE LYS A 86 -1.073 7.142 -30.049 1.00 0.00 C ATOM 1311 NZ LYS A 86 -2.540 7.007 -29.907 1.00 0.00 N ATOM 0 H LYS A 86 2.521 7.280 -25.821 1.00 0.00 H new ATOM 0 HA LYS A 86 3.315 8.724 -28.271 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.764 8.371 -26.726 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.962 9.689 -27.865 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.146 8.252 -29.720 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.736 6.910 -28.760 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.376 6.169 -28.254 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.992 7.789 -27.993 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.837 8.054 -30.597 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.680 6.309 -30.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.980 6.986 -30.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.760 6.125 -29.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.913 7.815 -29.369 1.00 0.00 H new ATOM 1325 N ILE A 87 4.319 9.863 -25.804 1.00 0.00 N ATOM 1326 CA ILE A 87 4.852 10.988 -25.053 1.00 0.00 C ATOM 1327 C ILE A 87 5.626 11.906 -26.001 1.00 0.00 C ATOM 1328 O ILE A 87 5.657 13.121 -25.807 1.00 0.00 O ATOM 1329 CB ILE A 87 5.678 10.495 -23.863 1.00 0.00 C ATOM 1330 CG1 ILE A 87 5.636 11.504 -22.714 1.00 0.00 C ATOM 1331 CG2 ILE A 87 7.111 10.168 -24.287 1.00 0.00 C ATOM 1332 CD1 ILE A 87 4.242 11.566 -22.087 1.00 0.00 C ATOM 0 H ILE A 87 4.828 8.988 -25.680 1.00 0.00 H new ATOM 0 HA ILE A 87 4.042 11.579 -24.626 1.00 0.00 H new ATOM 0 HB ILE A 87 5.233 9.570 -23.497 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.368 11.226 -21.955 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.917 12.491 -23.082 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.676 9.820 -23.422 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.096 9.388 -25.048 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.583 11.062 -24.693 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.241 12.291 -21.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.516 11.868 -22.842 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.974 10.584 -21.698 1.00 0.00 H new ATOM 1344 N ALA A 88 6.232 11.290 -27.006 1.00 0.00 N ATOM 1345 CA ALA A 88 7.005 12.038 -27.984 1.00 0.00 C ATOM 1346 C ALA A 88 6.140 13.160 -28.562 1.00 0.00 C ATOM 1347 O ALA A 88 5.273 12.911 -29.398 1.00 0.00 O ATOM 1348 CB ALA A 88 7.521 11.084 -29.064 1.00 0.00 C ATOM 0 H ALA A 88 6.204 10.283 -27.164 1.00 0.00 H new ATOM 0 HA ALA A 88 7.873 12.500 -27.515 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.101 11.644 -29.798 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.153 10.324 -28.606 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.677 10.604 -29.559 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.678 12.806 -12.658 1.00 0.00 FE HETATM 1356 CHA HEM A 95 26.033 12.947 -12.807 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.873 11.388 -9.577 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.305 12.693 -12.515 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.465 14.250 -15.743 1.00 0.00 C HETATM 1360 NA HEM A 95 24.180 12.270 -11.454 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.514 12.429 -11.702 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.264 11.909 -10.563 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.369 11.480 -9.657 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.066 11.716 -10.210 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.710 10.825 -8.328 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.700 11.274 -10.577 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.964 12.065 -10.169 1.00 0.00 C HETATM 1368 CGA HEM A 95 30.186 11.711 -11.004 1.00 0.00 C HETATM 1369 O1A HEM A 95 31.264 12.322 -10.792 1.00 0.00 O HETATM 1370 O2A HEM A 95 30.092 10.807 -11.874 1.00 0.00 O HETATM 1371 NB HEM A 95 21.345 12.163 -11.325 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.621 11.604 -10.114 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.389 11.270 -9.420 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.387 11.632 -10.237 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.980 12.217 -11.439 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.224 10.617 -8.059 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.913 11.470 -9.954 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.232 10.485 -9.715 1.00 0.00 C HETATM 1379 NC HEM A 95 21.173 13.374 -13.879 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.837 13.231 -13.637 1.00 0.00 C HETATM 1381 C2C HEM A 95 19.074 13.727 -14.758 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.992 14.198 -15.681 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.289 13.946 -15.131 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.592 13.792 -14.933 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.629 14.814 -16.994 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.725 15.371 -17.278 1.00 0.00 C HETATM 1387 ND HEM A 95 24.009 13.474 -14.003 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.725 14.039 -15.231 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.991 14.380 -15.912 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.950 14.008 -15.081 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.354 13.448 -13.892 1.00 0.00 C HETATM 1392 CMD HEM A 95 25.113 15.022 -17.261 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.536 14.305 -15.068 1.00 0.00 C HETATM 1394 CBD HEM A 95 28.163 13.914 -16.428 1.00 0.00 C HETATM 1395 CGD HEM A 95 29.036 12.665 -16.305 1.00 0.00 C HETATM 1396 O1D HEM A 95 28.623 11.529 -16.074 1.00 0.00 O HETATM 1397 O2D HEM A 95 30.300 13.044 -16.188 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.910 11.016 -7.612 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.644 11.239 -7.947 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.821 9.750 -8.470 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.299 10.965 -7.598 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.069 10.883 -7.423 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.185 9.534 -8.177 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 17.124 12.977 -14.381 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.346 13.701 -15.991 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.222 14.745 -14.555 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.262 14.735 -17.879 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 26.036 14.693 -17.739 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 25.130 16.106 -17.148 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.162 10.592 -9.536 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.694 9.498 -9.680 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.619 15.757 -18.292 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.935 15.537 -16.546 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 29.182 11.874 -9.118 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 28.764 13.132 -10.264 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.872 10.914 -11.592 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 27.659 10.397 -9.931 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 28.763 14.743 -16.805 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.372 13.736 -17.157 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 28.012 13.743 -14.265 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.714 15.361 -14.867 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.111 12.979 -12.860 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.930 10.933 -8.599 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.227 12.637 -12.472 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.404 14.699 -16.723 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.353 12.405 -9.965 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.369 14.693 -17.785 1.00 0.00 H new