USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 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 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 11 MET CE :methyl -112:sc= -4.6! (180deg=-0.733) USER MOD Set 1.2: A 108 HEC O2D : rot 146:sc= -2.67! USER MOD Set 2.1: A 65 TYR OH : rot -137:sc= 0.296 USER MOD Set 2.2: A 111 HEC O2D : rot 92:sc= -1.8! USER MOD Set 3.1: A 21 ASN : amide:sc= -0.039 X(o=-0.38,f=-0.73) USER MOD Set 3.2: A 24 THR OG1 : rot 16:sc= -0.342 USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.103 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= -0.0413 (180deg=-0.334) USER MOD Single : A 14 THR OG1 : rot -160:sc= -1.5 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -6.09! C(o=-6.1!,f=-9.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -157:sc=-0.00565 (180deg=-0.438) USER MOD Single : A 38 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 130:sc= -2.13 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0163 (180deg=-0.288) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00899 USER MOD Single : A 54 SER OG : rot 174:sc= -0.487 USER MOD Single : A 55 MET CE :methyl 170:sc= -1.69 (180deg=-2.3) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0608) USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= -0.241 (180deg=-0.965) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : +bothHN:sc= -5.08! C(o=-5.1!,f=-15!) USER MOD Single : A 69 MET CE :methyl -156:sc= -4.81! (180deg=-7.05!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.242) USER MOD Single : A 78 SER OG : rot 158:sc= 1.3 USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= -3.45 (180deg=-4.27!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 3:sc= -1.82! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0771) USER MOD Single : A 103 SER OG : rot 54:sc= 0.421 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 180:sc= -0.0214 USER MOD Single : A 109 HEC O2A : rot 165:sc= 1.06 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot 165:sc= 0 USER MOD Single : A 111 HEC O2A : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.213 -17.035 -8.301 1.00 0.00 N ATOM 2 CA ALA A 1 -2.545 -16.456 -7.011 1.00 0.00 C ATOM 3 C ALA A 1 -3.098 -15.044 -7.217 1.00 0.00 C ATOM 4 O ALA A 1 -3.133 -14.513 -8.325 1.00 0.00 O ATOM 5 CB ALA A 1 -1.307 -16.470 -6.111 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.733 -17.927 -8.425 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.477 -16.372 -9.057 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.191 -17.221 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.317 -17.044 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.556 -16.035 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.970 -17.497 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.512 -15.887 -6.577 1.00 0.00 H new ATOM 13 N PRO A 2 -3.536 -14.442 -6.109 1.00 0.00 N ATOM 14 CA PRO A 2 -4.096 -13.108 -6.072 1.00 0.00 C ATOM 15 C PRO A 2 -3.190 -12.153 -6.834 1.00 0.00 C ATOM 16 O PRO A 2 -2.305 -11.557 -6.221 1.00 0.00 O ATOM 17 CB PRO A 2 -4.150 -12.747 -4.589 1.00 0.00 C ATOM 18 CG PRO A 2 -4.239 -14.041 -3.893 1.00 0.00 C ATOM 19 CD PRO A 2 -3.511 -15.039 -4.791 1.00 0.00 C ATOM 0 HA PRO A 2 -5.081 -13.048 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.262 -12.193 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.011 -12.117 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.776 -13.989 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.278 -14.334 -3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.488 -15.203 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.008 -16.009 -4.787 1.00 0.00 H new ATOM 27 N LYS A 3 -3.418 -12.027 -8.133 1.00 0.00 N ATOM 28 CA LYS A 3 -2.609 -11.141 -8.953 1.00 0.00 C ATOM 29 C LYS A 3 -3.425 -9.898 -9.313 1.00 0.00 C ATOM 30 O LYS A 3 -3.416 -9.456 -10.461 1.00 0.00 O ATOM 31 CB LYS A 3 -2.060 -11.890 -10.169 1.00 0.00 C ATOM 32 CG LYS A 3 -0.852 -12.748 -9.786 1.00 0.00 C ATOM 33 CD LYS A 3 0.227 -12.691 -10.869 1.00 0.00 C ATOM 34 CE LYS A 3 1.345 -13.695 -10.582 1.00 0.00 C ATOM 35 NZ LYS A 3 1.955 -14.166 -11.845 1.00 0.00 N ATOM 0 H LYS A 3 -4.152 -12.524 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.736 -10.799 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.840 -12.522 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.773 -11.176 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.440 -12.400 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.168 -13.780 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.217 -12.904 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.642 -11.684 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.106 -13.231 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.946 -14.543 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.712 -14.847 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.229 -14.627 -12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.353 -13.356 -12.361 1.00 0.00 H new ATOM 49 N ALA A 4 -4.112 -9.370 -8.311 1.00 0.00 N ATOM 50 CA ALA A 4 -4.932 -8.186 -8.508 1.00 0.00 C ATOM 51 C ALA A 4 -5.629 -8.274 -9.867 1.00 0.00 C ATOM 52 O ALA A 4 -5.118 -7.831 -10.892 1.00 0.00 O ATOM 53 CB ALA A 4 -4.061 -6.935 -8.379 1.00 0.00 C ATOM 0 H ALA A 4 -4.118 -9.740 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.707 -8.124 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.676 -6.047 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.612 -6.905 -7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.274 -6.961 -9.132 1.00 0.00 H new ATOM 59 N PRO A 5 -6.825 -8.867 -9.850 1.00 0.00 N ATOM 60 CA PRO A 5 -7.659 -9.056 -11.018 1.00 0.00 C ATOM 61 C PRO A 5 -7.598 -7.813 -11.895 1.00 0.00 C ATOM 62 O PRO A 5 -7.189 -6.761 -11.407 1.00 0.00 O ATOM 63 CB PRO A 5 -9.066 -9.267 -10.464 1.00 0.00 C ATOM 64 CG PRO A 5 -8.784 -9.977 -9.146 1.00 0.00 C ATOM 65 CD PRO A 5 -7.456 -9.400 -8.662 1.00 0.00 C ATOM 0 HA PRO A 5 -7.342 -9.897 -11.635 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.592 -8.324 -10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.680 -9.872 -11.130 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.579 -9.797 -8.423 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.718 -11.056 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.612 -8.622 -7.915 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.838 -10.168 -8.197 1.00 0.00 H new ATOM 73 N ALA A 6 -7.997 -7.953 -13.151 1.00 0.00 N ATOM 74 CA ALA A 6 -7.977 -6.829 -14.071 1.00 0.00 C ATOM 75 C ALA A 6 -8.733 -5.653 -13.450 1.00 0.00 C ATOM 76 O ALA A 6 -9.723 -5.848 -12.748 1.00 0.00 O ATOM 77 CB ALA A 6 -8.570 -7.259 -15.415 1.00 0.00 C ATOM 0 H ALA A 6 -8.336 -8.827 -13.553 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.954 -6.502 -14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.555 -6.416 -16.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.980 -8.077 -15.828 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.598 -7.591 -15.270 1.00 0.00 H new ATOM 83 N ASP A 7 -8.236 -4.457 -13.731 1.00 0.00 N ATOM 84 CA ASP A 7 -8.852 -3.249 -13.208 1.00 0.00 C ATOM 85 C ASP A 7 -10.373 -3.415 -13.213 1.00 0.00 C ATOM 86 O ASP A 7 -10.925 -4.095 -14.077 1.00 0.00 O ATOM 87 CB ASP A 7 -8.506 -2.036 -14.073 1.00 0.00 C ATOM 88 CG ASP A 7 -7.498 -2.306 -15.193 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.794 -3.195 -16.020 1.00 0.00 O ATOM 90 OD2 ASP A 7 -6.456 -1.617 -15.196 1.00 0.00 O ATOM 0 H ASP A 7 -7.414 -4.299 -14.314 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.477 -3.089 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.424 -1.651 -14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.109 -1.251 -13.429 1.00 0.00 H new ATOM 95 N GLY A 8 -11.008 -2.781 -12.238 1.00 0.00 N ATOM 96 CA GLY A 8 -12.455 -2.849 -12.119 1.00 0.00 C ATOM 97 C GLY A 8 -12.883 -2.876 -10.650 1.00 0.00 C ATOM 98 O GLY A 8 -13.773 -3.638 -10.274 1.00 0.00 O ATOM 0 H GLY A 8 -10.547 -2.218 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.905 -1.990 -12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.824 -3.741 -12.626 1.00 0.00 H new ATOM 102 N LEU A 9 -12.231 -2.036 -9.861 1.00 0.00 N ATOM 103 CA LEU A 9 -12.533 -1.954 -8.442 1.00 0.00 C ATOM 104 C LEU A 9 -12.821 -0.498 -8.070 1.00 0.00 C ATOM 105 O LEU A 9 -11.989 0.380 -8.295 1.00 0.00 O ATOM 106 CB LEU A 9 -11.412 -2.590 -7.618 1.00 0.00 C ATOM 107 CG LEU A 9 -10.681 -1.658 -6.649 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.556 -1.331 -5.438 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.330 -2.246 -6.238 1.00 0.00 C ATOM 0 H LEU A 9 -11.494 -1.406 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.431 -2.526 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.832 -3.418 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.680 -3.015 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.480 -0.719 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.013 -0.667 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.470 -0.840 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.809 -2.252 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.831 -1.564 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.485 -3.207 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.710 -2.386 -7.123 1.00 0.00 H new ATOM 121 N LYS A 10 -14.001 -0.287 -7.506 1.00 0.00 N ATOM 122 CA LYS A 10 -14.408 1.048 -7.100 1.00 0.00 C ATOM 123 C LYS A 10 -14.953 0.997 -5.671 1.00 0.00 C ATOM 124 O LYS A 10 -15.599 0.025 -5.283 1.00 0.00 O ATOM 125 CB LYS A 10 -15.391 1.639 -8.112 1.00 0.00 C ATOM 126 CG LYS A 10 -16.832 1.268 -7.759 1.00 0.00 C ATOM 127 CD LYS A 10 -17.076 -0.230 -7.953 1.00 0.00 C ATOM 128 CE LYS A 10 -18.535 -0.504 -8.322 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.820 -0.035 -9.696 1.00 0.00 N ATOM 0 H LYS A 10 -14.688 -1.018 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.551 1.722 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.286 2.724 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.152 1.275 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.039 1.543 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.521 1.836 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.421 -0.610 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.822 -0.765 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.741 -1.572 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.195 -0.001 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.642 -0.548 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.026 0.984 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.993 -0.211 -10.301 1.00 0.00 H new ATOM 143 N MET A 11 -14.674 2.057 -4.927 1.00 0.00 N ATOM 144 CA MET A 11 -15.128 2.146 -3.550 1.00 0.00 C ATOM 145 C MET A 11 -16.161 3.263 -3.384 1.00 0.00 C ATOM 146 O MET A 11 -15.834 4.441 -3.517 1.00 0.00 O ATOM 147 CB MET A 11 -13.933 2.417 -2.634 1.00 0.00 C ATOM 148 CG MET A 11 -12.755 1.506 -2.986 1.00 0.00 C ATOM 149 SD MET A 11 -11.228 2.427 -2.916 1.00 0.00 S ATOM 150 CE MET A 11 -10.951 2.434 -1.153 1.00 0.00 C ATOM 0 H MET A 11 -14.139 2.862 -5.252 1.00 0.00 H new ATOM 0 HA MET A 11 -15.597 1.199 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.630 3.460 -2.724 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.223 2.258 -1.595 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.715 0.666 -2.293 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.892 1.089 -3.984 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.064 3.449 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.677 1.781 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.943 2.077 -0.942 1.00 0.00 H new ATOM 160 N GLU A 12 -17.388 2.852 -3.097 1.00 0.00 N ATOM 161 CA GLU A 12 -18.471 3.803 -2.912 1.00 0.00 C ATOM 162 C GLU A 12 -19.400 3.337 -1.789 1.00 0.00 C ATOM 163 O GLU A 12 -20.608 3.213 -1.989 1.00 0.00 O ATOM 164 CB GLU A 12 -19.247 4.010 -4.214 1.00 0.00 C ATOM 165 CG GLU A 12 -19.921 2.713 -4.664 1.00 0.00 C ATOM 166 CD GLU A 12 -20.166 2.717 -6.174 1.00 0.00 C ATOM 167 OE1 GLU A 12 -19.679 3.667 -6.826 1.00 0.00 O ATOM 168 OE2 GLU A 12 -20.836 1.771 -6.643 1.00 0.00 O ATOM 0 H GLU A 12 -17.656 1.874 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.041 4.763 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.000 4.785 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.570 4.361 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.295 1.862 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.868 2.590 -4.139 1.00 0.00 H new ATOM 175 N ALA A 13 -18.802 3.091 -0.633 1.00 0.00 N ATOM 176 CA ALA A 13 -19.560 2.642 0.522 1.00 0.00 C ATOM 177 C ALA A 13 -20.246 3.843 1.175 1.00 0.00 C ATOM 178 O ALA A 13 -21.351 3.721 1.701 1.00 0.00 O ATOM 179 CB ALA A 13 -18.631 1.905 1.488 1.00 0.00 C ATOM 0 H ALA A 13 -17.800 3.194 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.339 1.941 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.200 1.568 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.192 1.043 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.838 2.577 1.814 1.00 0.00 H new ATOM 185 N THR A 14 -19.562 4.977 1.120 1.00 0.00 N ATOM 186 CA THR A 14 -20.092 6.199 1.701 1.00 0.00 C ATOM 187 C THR A 14 -20.837 7.013 0.641 1.00 0.00 C ATOM 188 O THR A 14 -21.270 6.469 -0.374 1.00 0.00 O ATOM 189 CB THR A 14 -18.930 6.959 2.345 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.333 7.665 1.260 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.822 6.026 2.837 1.00 0.00 C ATOM 0 H THR A 14 -18.646 5.075 0.682 1.00 0.00 H new ATOM 0 HA THR A 14 -20.827 5.982 2.476 1.00 0.00 H new ATOM 0 HB THR A 14 -19.303 7.552 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.417 7.919 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.022 6.616 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.228 5.340 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.426 5.457 1.996 1.00 0.00 H new ATOM 199 N LYS A 15 -20.963 8.304 0.913 1.00 0.00 N ATOM 200 CA LYS A 15 -21.649 9.198 -0.004 1.00 0.00 C ATOM 201 C LYS A 15 -20.635 9.790 -0.985 1.00 0.00 C ATOM 202 O LYS A 15 -20.791 10.924 -1.436 1.00 0.00 O ATOM 203 CB LYS A 15 -22.444 10.252 0.769 1.00 0.00 C ATOM 204 CG LYS A 15 -23.434 9.594 1.732 1.00 0.00 C ATOM 205 CD LYS A 15 -24.674 10.469 1.926 1.00 0.00 C ATOM 206 CE LYS A 15 -25.931 9.610 2.084 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.854 10.219 3.068 1.00 0.00 N ATOM 0 H LYS A 15 -20.602 8.752 1.755 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.382 8.649 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.760 10.892 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.982 10.892 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.730 8.619 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.951 9.422 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.546 11.098 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.790 11.136 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -26.432 9.507 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.655 8.607 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.702 9.624 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.378 10.294 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -27.132 11.167 2.743 1.00 0.00 H new ATOM 221 N GLN A 16 -19.618 8.996 -1.288 1.00 0.00 N ATOM 222 CA GLN A 16 -18.579 9.428 -2.207 1.00 0.00 C ATOM 223 C GLN A 16 -17.871 8.215 -2.815 1.00 0.00 C ATOM 224 O GLN A 16 -17.045 7.558 -2.185 1.00 0.00 O ATOM 225 CB GLN A 16 -17.580 10.353 -1.510 1.00 0.00 C ATOM 226 CG GLN A 16 -17.921 10.510 -0.026 1.00 0.00 C ATOM 227 CD GLN A 16 -18.786 11.751 0.209 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.842 11.696 0.817 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.280 12.868 -0.305 1.00 0.00 N ATOM 0 H GLN A 16 -19.492 8.056 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.046 9.994 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.572 9.951 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.585 11.330 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.448 9.623 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.003 10.587 0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.390 12.843 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.782 13.750 -0.201 1.00 0.00 H new ATOM 238 N PRO A 17 -18.220 7.930 -4.072 1.00 0.00 N ATOM 239 CA PRO A 17 -17.675 6.831 -4.840 1.00 0.00 C ATOM 240 C PRO A 17 -16.323 7.229 -5.413 1.00 0.00 C ATOM 241 O PRO A 17 -16.232 8.281 -6.045 1.00 0.00 O ATOM 242 CB PRO A 17 -18.692 6.589 -5.953 1.00 0.00 C ATOM 243 CG PRO A 17 -19.246 7.977 -6.195 1.00 0.00 C ATOM 244 CD PRO A 17 -19.188 8.681 -4.841 1.00 0.00 C ATOM 0 HA PRO A 17 -17.515 5.934 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.225 6.176 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.470 5.889 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.656 8.511 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.268 7.932 -6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.884 9.722 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.163 8.683 -4.355 1.00 0.00 H new ATOM 252 N VAL A 18 -15.314 6.400 -5.188 1.00 0.00 N ATOM 253 CA VAL A 18 -13.982 6.688 -5.691 1.00 0.00 C ATOM 254 C VAL A 18 -13.380 5.415 -6.288 1.00 0.00 C ATOM 255 O VAL A 18 -13.092 4.462 -5.565 1.00 0.00 O ATOM 256 CB VAL A 18 -13.122 7.291 -4.578 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.697 7.554 -5.068 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.757 8.569 -4.026 1.00 0.00 C ATOM 0 H VAL A 18 -15.393 5.529 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.027 7.430 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.068 6.566 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.107 7.982 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.244 6.616 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.723 8.251 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.126 8.977 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.856 9.302 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.743 8.340 -3.621 1.00 0.00 H new ATOM 268 N VAL A 19 -13.209 5.438 -7.601 1.00 0.00 N ATOM 269 CA VAL A 19 -12.646 4.298 -8.303 1.00 0.00 C ATOM 270 C VAL A 19 -11.120 4.351 -8.214 1.00 0.00 C ATOM 271 O VAL A 19 -10.531 5.430 -8.224 1.00 0.00 O ATOM 272 CB VAL A 19 -13.160 4.265 -9.744 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.154 4.909 -10.700 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.489 2.835 -10.177 1.00 0.00 C ATOM 0 H VAL A 19 -13.451 6.229 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.966 3.367 -7.836 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.081 4.847 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.544 4.872 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.991 5.947 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.210 4.367 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.852 2.840 -11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.592 2.220 -10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.258 2.425 -9.523 1.00 0.00 H new ATOM 284 N PHE A 20 -10.523 3.171 -8.128 1.00 0.00 N ATOM 285 CA PHE A 20 -9.076 3.069 -8.036 1.00 0.00 C ATOM 286 C PHE A 20 -8.567 1.825 -8.766 1.00 0.00 C ATOM 287 O PHE A 20 -8.878 0.701 -8.376 1.00 0.00 O ATOM 288 CB PHE A 20 -8.729 2.953 -6.551 1.00 0.00 C ATOM 289 CG PHE A 20 -7.527 2.052 -6.261 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.699 0.708 -6.136 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.287 2.594 -6.129 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.583 -0.128 -5.868 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.171 1.757 -5.860 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.343 0.414 -5.735 1.00 0.00 C ATOM 0 H PHE A 20 -11.015 2.277 -8.120 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.611 3.942 -8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.527 3.949 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.596 2.568 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.684 0.277 -6.241 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.150 3.661 -6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.719 -1.195 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.186 2.187 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.495 -0.222 -5.530 1.00 0.00 H new ATOM 304 N ASN A 21 -7.792 2.068 -9.813 1.00 0.00 N ATOM 305 CA ASN A 21 -7.236 0.981 -10.601 1.00 0.00 C ATOM 306 C ASN A 21 -5.875 0.583 -10.025 1.00 0.00 C ATOM 307 O ASN A 21 -5.111 1.432 -9.570 1.00 0.00 O ATOM 308 CB ASN A 21 -7.028 1.406 -12.056 1.00 0.00 C ATOM 309 CG ASN A 21 -8.003 2.518 -12.447 1.00 0.00 C ATOM 310 OD1 ASN A 21 -7.717 3.698 -12.332 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.167 2.077 -12.914 1.00 0.00 N ATOM 0 H ASN A 21 -7.536 3.002 -10.134 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.936 0.146 -10.566 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.003 1.750 -12.195 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.168 0.547 -12.713 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.886 2.741 -13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.341 1.074 -12.984 1.00 0.00 H new ATOM 318 N HIS A 22 -5.607 -0.723 -10.062 1.00 0.00 N ATOM 319 CA HIS A 22 -4.361 -1.290 -9.560 1.00 0.00 C ATOM 320 C HIS A 22 -3.218 -0.990 -10.547 1.00 0.00 C ATOM 321 O HIS A 22 -2.053 -0.953 -10.152 1.00 0.00 O ATOM 322 CB HIS A 22 -4.574 -2.784 -9.275 1.00 0.00 C ATOM 323 CG HIS A 22 -5.144 -3.142 -7.922 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.445 -3.378 -7.729 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.541 -3.298 -6.696 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.646 -3.669 -6.434 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.503 -3.634 -5.751 1.00 0.00 N ATOM 0 H HIS A 22 -6.251 -1.416 -10.442 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.065 -0.831 -8.617 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.238 -3.185 -10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.616 -3.292 -9.386 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.167 -3.343 -8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.486 -3.178 -6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.608 -3.901 -6.002 1.00 0.00 H new ATOM 335 N SER A 23 -3.591 -0.785 -11.802 1.00 0.00 N ATOM 336 CA SER A 23 -2.613 -0.492 -12.835 1.00 0.00 C ATOM 337 C SER A 23 -2.020 0.901 -12.614 1.00 0.00 C ATOM 338 O SER A 23 -0.935 1.204 -13.109 1.00 0.00 O ATOM 339 CB SER A 23 -3.238 -0.588 -14.229 1.00 0.00 C ATOM 340 OG SER A 23 -4.018 0.562 -14.544 1.00 0.00 O ATOM 0 H SER A 23 -4.558 -0.816 -12.126 1.00 0.00 H new ATOM 0 HA SER A 23 -1.816 -1.233 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.450 -0.706 -14.972 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.865 -1.478 -14.285 1.00 0.00 H new ATOM 0 HG SER A 23 -4.398 0.463 -15.442 1.00 0.00 H new ATOM 346 N THR A 24 -2.758 1.712 -11.871 1.00 0.00 N ATOM 347 CA THR A 24 -2.319 3.066 -11.578 1.00 0.00 C ATOM 348 C THR A 24 -1.621 3.118 -10.218 1.00 0.00 C ATOM 349 O THR A 24 -1.163 4.173 -9.784 1.00 0.00 O ATOM 350 CB THR A 24 -3.536 3.989 -11.672 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.534 3.326 -10.901 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.126 4.037 -13.083 1.00 0.00 C ATOM 0 H THR A 24 -3.657 1.458 -11.463 1.00 0.00 H new ATOM 0 HA THR A 24 -1.578 3.406 -12.302 1.00 0.00 H new ATOM 0 HB THR A 24 -3.254 4.995 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.112 2.646 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.987 4.706 -13.095 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.372 4.403 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.440 3.036 -13.380 1.00 0.00 H new ATOM 360 N HIS A 25 -1.558 1.953 -9.571 1.00 0.00 N ATOM 361 CA HIS A 25 -0.931 1.806 -8.263 1.00 0.00 C ATOM 362 C HIS A 25 -0.288 0.412 -8.148 1.00 0.00 C ATOM 363 O HIS A 25 -0.489 -0.281 -7.151 1.00 0.00 O ATOM 364 CB HIS A 25 -1.971 2.115 -7.176 1.00 0.00 C ATOM 365 CG HIS A 25 -2.552 3.510 -7.167 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.570 3.871 -7.954 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.220 4.626 -6.436 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.861 5.160 -7.722 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.057 5.675 -6.793 1.00 0.00 N ATOM 0 H HIS A 25 -1.942 1.085 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.117 2.518 -8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.792 1.406 -7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.512 1.932 -6.204 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.048 3.266 -8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.432 4.679 -5.700 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.645 5.709 -8.223 1.00 0.00 H new ATOM 377 N LYS A 26 0.467 0.049 -9.174 1.00 0.00 N ATOM 378 CA LYS A 26 1.133 -1.242 -9.193 1.00 0.00 C ATOM 379 C LYS A 26 2.609 -1.055 -8.833 1.00 0.00 C ATOM 380 O LYS A 26 3.315 -2.027 -8.570 1.00 0.00 O ATOM 381 CB LYS A 26 0.912 -1.939 -10.537 1.00 0.00 C ATOM 382 CG LYS A 26 1.870 -1.396 -11.600 1.00 0.00 C ATOM 383 CD LYS A 26 1.227 -1.434 -12.988 1.00 0.00 C ATOM 384 CE LYS A 26 2.292 -1.503 -14.084 1.00 0.00 C ATOM 385 NZ LYS A 26 2.243 -2.813 -14.772 1.00 0.00 N ATOM 0 H LYS A 26 0.632 0.626 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 26 0.702 -1.904 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.061 -3.013 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.118 -1.793 -10.862 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.150 -0.372 -11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.787 -1.985 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.566 -2.298 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.610 -0.547 -13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.133 -0.701 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.280 -1.350 -13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.972 -2.843 -15.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.417 -3.573 -14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.306 -2.944 -15.203 1.00 0.00 H new ATOM 399 N SER A 27 3.030 0.201 -8.832 1.00 0.00 N ATOM 400 CA SER A 27 4.408 0.528 -8.509 1.00 0.00 C ATOM 401 C SER A 27 4.550 0.765 -7.004 1.00 0.00 C ATOM 402 O SER A 27 5.500 1.409 -6.560 1.00 0.00 O ATOM 403 CB SER A 27 4.880 1.758 -9.286 1.00 0.00 C ATOM 404 OG SER A 27 4.698 1.604 -10.691 1.00 0.00 O ATOM 0 H SER A 27 2.441 1.005 -9.050 1.00 0.00 H new ATOM 0 HA SER A 27 5.036 -0.314 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.332 2.636 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.934 1.938 -9.075 1.00 0.00 H new ATOM 0 HG SER A 27 5.010 2.411 -11.152 1.00 0.00 H new ATOM 410 N VAL A 28 3.592 0.231 -6.260 1.00 0.00 N ATOM 411 CA VAL A 28 3.599 0.376 -4.814 1.00 0.00 C ATOM 412 C VAL A 28 3.362 -0.990 -4.168 1.00 0.00 C ATOM 413 O VAL A 28 2.568 -1.787 -4.666 1.00 0.00 O ATOM 414 CB VAL A 28 2.570 1.426 -4.389 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.389 1.433 -2.870 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.958 2.814 -4.902 1.00 0.00 C ATOM 0 H VAL A 28 2.806 -0.303 -6.631 1.00 0.00 H new ATOM 0 HA VAL A 28 4.569 0.734 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 28 1.614 1.159 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.653 2.188 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.045 0.453 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.341 1.663 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.210 3.541 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.930 3.093 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.011 2.798 -5.991 1.00 0.00 H new ATOM 426 N LYS A 29 4.064 -1.219 -3.068 1.00 0.00 N ATOM 427 CA LYS A 29 3.940 -2.475 -2.349 1.00 0.00 C ATOM 428 C LYS A 29 2.498 -2.640 -1.864 1.00 0.00 C ATOM 429 O LYS A 29 1.879 -1.679 -1.410 1.00 0.00 O ATOM 430 CB LYS A 29 4.978 -2.555 -1.228 1.00 0.00 C ATOM 431 CG LYS A 29 5.432 -3.999 -1.003 1.00 0.00 C ATOM 432 CD LYS A 29 5.694 -4.267 0.481 1.00 0.00 C ATOM 433 CE LYS A 29 6.910 -5.176 0.668 1.00 0.00 C ATOM 434 NZ LYS A 29 6.785 -6.388 -0.174 1.00 0.00 N ATOM 0 H LYS A 29 4.721 -0.556 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 29 4.153 -3.315 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.838 -1.935 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.555 -2.155 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.669 -4.685 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.338 -4.193 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.858 -3.323 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.816 -4.731 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.819 -4.636 0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.000 -5.462 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.371 -7.149 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.791 -6.693 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.105 -6.174 -1.140 1.00 0.00 H new ATOM 448 N CYS A 30 2.006 -3.865 -1.978 1.00 0.00 N ATOM 449 CA CYS A 30 0.649 -4.168 -1.557 1.00 0.00 C ATOM 450 C CYS A 30 0.518 -3.824 -0.072 1.00 0.00 C ATOM 451 O CYS A 30 -0.575 -3.524 0.406 1.00 0.00 O ATOM 452 CB CYS A 30 0.281 -5.626 -1.839 1.00 0.00 C ATOM 453 SG CYS A 30 1.011 -6.319 -3.367 1.00 0.00 S ATOM 0 H CYS A 30 2.523 -4.659 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.055 -3.566 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.597 -6.236 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.804 -5.707 -1.902 1.00 0.00 H new ATOM 458 N GLY A 31 1.649 -3.878 0.617 1.00 0.00 N ATOM 459 CA GLY A 31 1.675 -3.577 2.039 1.00 0.00 C ATOM 460 C GLY A 31 1.494 -2.077 2.284 1.00 0.00 C ATOM 461 O GLY A 31 1.425 -1.636 3.430 1.00 0.00 O ATOM 0 H GLY A 31 2.554 -4.126 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.885 -4.130 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.621 -3.908 2.467 1.00 0.00 H new ATOM 465 N ASP A 32 1.423 -1.335 1.189 1.00 0.00 N ATOM 466 CA ASP A 32 1.253 0.105 1.270 1.00 0.00 C ATOM 467 C ASP A 32 -0.234 0.430 1.436 1.00 0.00 C ATOM 468 O ASP A 32 -0.590 1.412 2.085 1.00 0.00 O ATOM 469 CB ASP A 32 1.748 0.792 -0.004 1.00 0.00 C ATOM 470 CG ASP A 32 1.546 2.308 -0.041 1.00 0.00 C ATOM 471 OD1 ASP A 32 0.379 2.730 0.105 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.565 3.012 -0.214 1.00 0.00 O ATOM 0 H ASP A 32 1.480 -1.705 0.240 1.00 0.00 H new ATOM 0 HA ASP A 32 1.832 0.465 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.810 0.579 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.236 0.351 -0.859 1.00 0.00 H new ATOM 477 N CYS A 33 -1.061 -0.414 0.836 1.00 0.00 N ATOM 478 CA CYS A 33 -2.500 -0.230 0.909 1.00 0.00 C ATOM 479 C CYS A 33 -3.082 -1.336 1.791 1.00 0.00 C ATOM 480 O CYS A 33 -3.907 -1.077 2.665 1.00 0.00 O ATOM 481 CB CYS A 33 -3.139 -0.212 -0.481 1.00 0.00 C ATOM 482 SG CYS A 33 -3.325 1.513 -1.062 1.00 0.00 S ATOM 0 H CYS A 33 -0.762 -1.227 0.297 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.723 0.741 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.522 -0.776 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.113 -0.701 -0.449 1.00 0.00 H new ATOM 487 N HIS A 34 -2.628 -2.562 1.530 1.00 0.00 N ATOM 488 CA HIS A 34 -3.067 -3.743 2.266 1.00 0.00 C ATOM 489 C HIS A 34 -2.087 -4.033 3.418 1.00 0.00 C ATOM 490 O HIS A 34 -1.269 -4.945 3.326 1.00 0.00 O ATOM 491 CB HIS A 34 -3.244 -4.906 1.279 1.00 0.00 C ATOM 492 CG HIS A 34 -4.150 -4.661 0.095 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.480 -4.584 0.210 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.870 -4.477 -1.238 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.008 -4.361 -1.004 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.058 -4.286 -1.934 1.00 0.00 N ATOM 0 H HIS A 34 -1.944 -2.762 0.800 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.037 -3.582 2.737 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.260 -5.185 0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.629 -5.764 1.830 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.007 -4.679 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.883 -4.480 -1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.065 -4.256 -1.201 1.00 0.00 H new ATOM 504 N HIS A 35 -2.204 -3.236 4.480 1.00 0.00 N ATOM 505 CA HIS A 35 -1.360 -3.365 5.663 1.00 0.00 C ATOM 506 C HIS A 35 -1.759 -4.626 6.452 1.00 0.00 C ATOM 507 O HIS A 35 -2.865 -5.146 6.324 1.00 0.00 O ATOM 508 CB HIS A 35 -1.438 -2.062 6.474 1.00 0.00 C ATOM 509 CG HIS A 35 -2.710 -1.822 7.254 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.094 -2.608 8.264 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.676 -0.851 7.136 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.254 -2.146 8.756 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.658 -1.062 8.096 1.00 0.00 N ATOM 0 H HIS A 35 -2.888 -2.482 4.542 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.313 -3.503 5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.602 -2.046 7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.296 -1.226 5.789 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.588 -3.425 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.672 -0.050 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.790 -2.595 9.579 1.00 0.00 H new ATOM 521 N PRO A 36 -0.823 -5.105 7.275 1.00 0.00 N ATOM 522 CA PRO A 36 -0.992 -6.276 8.108 1.00 0.00 C ATOM 523 C PRO A 36 -2.052 -6.003 9.165 1.00 0.00 C ATOM 524 O PRO A 36 -1.952 -4.992 9.859 1.00 0.00 O ATOM 525 CB PRO A 36 0.376 -6.499 8.750 1.00 0.00 C ATOM 526 CG PRO A 36 1.358 -5.652 7.988 1.00 0.00 C ATOM 527 CD PRO A 36 0.488 -4.519 7.450 1.00 0.00 C ATOM 0 HA PRO A 36 -1.320 -7.152 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.359 -6.218 9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.657 -7.551 8.705 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.154 -5.279 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.835 -6.212 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.456 -3.681 8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.878 -4.135 6.507 1.00 0.00 H new ATOM 535 N VAL A 37 -3.032 -6.889 9.266 1.00 0.00 N ATOM 536 CA VAL A 37 -4.095 -6.720 10.242 1.00 0.00 C ATOM 537 C VAL A 37 -4.249 -8.011 11.050 1.00 0.00 C ATOM 538 O VAL A 37 -4.629 -9.046 10.505 1.00 0.00 O ATOM 539 CB VAL A 37 -5.387 -6.297 9.540 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.383 -5.702 10.538 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.097 -5.315 8.403 1.00 0.00 C ATOM 0 H VAL A 37 -3.112 -7.726 8.688 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.846 -5.924 10.944 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.840 -7.188 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.293 -5.409 10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.625 -6.445 11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.942 -4.827 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.032 -5.030 7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.611 -4.426 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.441 -5.788 7.672 1.00 0.00 H new ATOM 551 N ASN A 38 -3.947 -7.906 12.335 1.00 0.00 N ATOM 552 CA ASN A 38 -4.047 -9.051 13.224 1.00 0.00 C ATOM 553 C ASN A 38 -2.965 -10.070 12.858 1.00 0.00 C ATOM 554 O ASN A 38 -3.189 -11.276 12.947 1.00 0.00 O ATOM 555 CB ASN A 38 -5.408 -9.737 13.087 1.00 0.00 C ATOM 556 CG ASN A 38 -6.077 -9.904 14.453 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.576 -10.961 14.803 1.00 0.00 O ATOM 558 ND2 ASN A 38 -6.059 -8.805 15.202 1.00 0.00 N ATOM 0 H ASN A 38 -3.633 -7.045 12.783 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.923 -8.696 14.247 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.051 -9.149 12.432 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.282 -10.713 12.618 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.480 -8.814 16.131 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.624 -7.953 14.847 1.00 0.00 H new ATOM 565 N GLY A 39 -1.817 -9.547 12.455 1.00 0.00 N ATOM 566 CA GLY A 39 -0.700 -10.396 12.076 1.00 0.00 C ATOM 567 C GLY A 39 -1.077 -11.309 10.907 1.00 0.00 C ATOM 568 O GLY A 39 -0.946 -12.528 10.999 1.00 0.00 O ATOM 0 H GLY A 39 -1.636 -8.546 12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.154 -9.778 11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.392 -11.000 12.929 1.00 0.00 H new ATOM 572 N LYS A 40 -1.538 -10.682 9.834 1.00 0.00 N ATOM 573 CA LYS A 40 -1.935 -11.422 8.648 1.00 0.00 C ATOM 574 C LYS A 40 -2.462 -10.445 7.595 1.00 0.00 C ATOM 575 O LYS A 40 -3.585 -9.955 7.705 1.00 0.00 O ATOM 576 CB LYS A 40 -2.928 -12.527 9.014 1.00 0.00 C ATOM 577 CG LYS A 40 -3.730 -12.971 7.788 1.00 0.00 C ATOM 578 CD LYS A 40 -4.881 -13.894 8.191 1.00 0.00 C ATOM 579 CE LYS A 40 -5.174 -14.917 7.091 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.553 -15.439 7.224 1.00 0.00 N ATOM 0 H LYS A 40 -1.645 -9.670 9.761 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.076 -11.930 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.392 -13.380 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.607 -12.169 9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.124 -12.096 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.074 -13.487 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.630 -14.412 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.774 -13.302 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.047 -14.454 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.460 -15.739 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.736 -16.132 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.662 -15.898 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.231 -14.654 7.145 1.00 0.00 H new ATOM 594 N GLU A 41 -1.626 -10.191 6.599 1.00 0.00 N ATOM 595 CA GLU A 41 -1.994 -9.281 5.527 1.00 0.00 C ATOM 596 C GLU A 41 -3.503 -9.336 5.279 1.00 0.00 C ATOM 597 O GLU A 41 -4.062 -10.410 5.063 1.00 0.00 O ATOM 598 CB GLU A 41 -1.216 -9.598 4.248 1.00 0.00 C ATOM 599 CG GLU A 41 0.069 -8.772 4.169 1.00 0.00 C ATOM 600 CD GLU A 41 1.018 -9.334 3.109 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.697 -9.165 1.913 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.043 -9.921 3.519 1.00 0.00 O ATOM 0 H GLU A 41 -0.695 -10.599 6.512 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.732 -8.267 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.972 -10.660 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.839 -9.391 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.174 -7.736 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.564 -8.769 5.140 1.00 0.00 H new ATOM 609 N ASP A 42 -4.119 -8.163 5.319 1.00 0.00 N ATOM 610 CA ASP A 42 -5.552 -8.064 5.101 1.00 0.00 C ATOM 611 C ASP A 42 -5.813 -7.369 3.763 1.00 0.00 C ATOM 612 O ASP A 42 -5.222 -6.344 3.433 1.00 0.00 O ATOM 613 CB ASP A 42 -6.221 -7.237 6.201 1.00 0.00 C ATOM 614 CG ASP A 42 -7.749 -7.193 6.139 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.260 -6.528 5.213 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.371 -7.826 7.020 1.00 0.00 O ATOM 0 H ASP A 42 -3.652 -7.274 5.499 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.964 -9.073 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.923 -7.640 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.841 -6.217 6.150 1.00 0.00 H new ATOM 621 N TYR A 43 -6.727 -7.960 2.989 1.00 0.00 N ATOM 622 CA TYR A 43 -7.086 -7.427 1.691 1.00 0.00 C ATOM 623 C TYR A 43 -8.596 -7.254 1.604 1.00 0.00 C ATOM 624 O TYR A 43 -9.128 -7.219 0.495 1.00 0.00 O ATOM 625 CB TYR A 43 -6.586 -8.369 0.599 1.00 0.00 C ATOM 626 CG TYR A 43 -5.125 -8.184 0.267 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.154 -8.352 1.261 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.741 -7.845 -1.036 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.799 -8.180 0.953 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.386 -7.673 -1.345 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.415 -7.841 -0.350 1.00 0.00 C ATOM 632 OH TYR A 43 -1.095 -7.673 -0.651 1.00 0.00 O ATOM 0 H TYR A 43 -7.228 -8.810 3.248 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.620 -6.451 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.751 -9.399 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.178 -8.214 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.450 -8.614 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.490 -7.716 -1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.050 -8.309 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.090 -7.411 -2.350 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.872 -8.196 -1.449 1.00 0.00 H new ATOM 642 N ARG A 44 -9.249 -7.151 2.752 1.00 0.00 N ATOM 643 CA ARG A 44 -10.692 -6.983 2.780 1.00 0.00 C ATOM 644 C ARG A 44 -11.053 -5.496 2.773 1.00 0.00 C ATOM 645 O ARG A 44 -10.179 -4.641 2.905 1.00 0.00 O ATOM 646 CB ARG A 44 -11.299 -7.642 4.021 1.00 0.00 C ATOM 647 CG ARG A 44 -10.409 -8.779 4.528 1.00 0.00 C ATOM 648 CD ARG A 44 -11.181 -9.697 5.478 1.00 0.00 C ATOM 649 NE ARG A 44 -10.238 -10.430 6.352 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.570 -10.958 7.549 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.828 -10.839 8.025 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.647 -11.593 8.246 1.00 0.00 N ATOM 0 H ARG A 44 -8.805 -7.181 3.670 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.100 -7.464 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.427 -6.898 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.290 -8.029 3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.034 -9.357 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.541 -8.365 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.870 -9.109 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.783 -10.403 4.906 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.277 -10.543 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.535 -10.347 7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.071 -11.241 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.699 -11.679 7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.881 -11.998 9.152 1.00 0.00 H new ATOM 665 N LYS A 45 -12.342 -5.234 2.617 1.00 0.00 N ATOM 666 CA LYS A 45 -12.830 -3.866 2.590 1.00 0.00 C ATOM 667 C LYS A 45 -12.088 -3.044 3.646 1.00 0.00 C ATOM 668 O LYS A 45 -12.110 -3.381 4.829 1.00 0.00 O ATOM 669 CB LYS A 45 -14.352 -3.836 2.746 1.00 0.00 C ATOM 670 CG LYS A 45 -15.025 -4.763 1.731 1.00 0.00 C ATOM 671 CD LYS A 45 -16.505 -4.412 1.566 1.00 0.00 C ATOM 672 CE LYS A 45 -16.766 -3.757 0.209 1.00 0.00 C ATOM 673 NZ LYS A 45 -15.913 -2.560 0.039 1.00 0.00 N ATOM 0 H LYS A 45 -13.064 -5.946 2.508 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.623 -3.407 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.624 -4.139 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.715 -2.817 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.519 -4.683 0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.927 -5.798 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.109 -5.315 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.813 -3.737 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.565 -4.470 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.816 -3.477 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.337 -1.930 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.836 -2.057 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.966 -2.851 -0.277 1.00 0.00 H new ATOM 687 N CYS A 46 -11.448 -1.982 3.181 1.00 0.00 N ATOM 688 CA CYS A 46 -10.700 -1.109 4.070 1.00 0.00 C ATOM 689 C CYS A 46 -11.531 -0.888 5.336 1.00 0.00 C ATOM 690 O CYS A 46 -10.992 -0.873 6.442 1.00 0.00 O ATOM 691 CB CYS A 46 -10.333 0.212 3.390 1.00 0.00 C ATOM 692 SG CYS A 46 -8.921 0.112 2.231 1.00 0.00 S ATOM 0 H CYS A 46 -11.432 -1.706 2.199 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.753 -1.580 4.335 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.204 0.580 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.102 0.949 4.159 1.00 0.00 H new ATOM 697 N GLY A 47 -12.829 -0.722 5.132 1.00 0.00 N ATOM 698 CA GLY A 47 -13.740 -0.502 6.243 1.00 0.00 C ATOM 699 C GLY A 47 -14.169 -1.830 6.870 1.00 0.00 C ATOM 700 O GLY A 47 -13.488 -2.354 7.750 1.00 0.00 O ATOM 0 H GLY A 47 -13.272 -0.735 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.257 0.121 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.619 0.041 5.896 1.00 0.00 H new ATOM 704 N THR A 48 -15.298 -2.335 6.393 1.00 0.00 N ATOM 705 CA THR A 48 -15.826 -3.591 6.897 1.00 0.00 C ATOM 706 C THR A 48 -16.000 -3.527 8.415 1.00 0.00 C ATOM 707 O THR A 48 -15.266 -2.814 9.098 1.00 0.00 O ATOM 708 CB THR A 48 -14.893 -4.714 6.439 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.708 -5.519 5.592 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.503 -5.653 7.582 1.00 0.00 C ATOM 0 H THR A 48 -15.861 -1.897 5.664 1.00 0.00 H new ATOM 0 HA THR A 48 -16.820 -3.791 6.496 1.00 0.00 H new ATOM 0 HB THR A 48 -13.993 -4.282 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.181 -6.271 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.841 -6.431 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.990 -5.087 8.359 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.400 -6.111 7.999 1.00 0.00 H new ATOM 718 N ALA A 49 -16.976 -4.281 8.900 1.00 0.00 N ATOM 719 CA ALA A 49 -17.256 -4.318 10.325 1.00 0.00 C ATOM 720 C ALA A 49 -16.113 -5.035 11.046 1.00 0.00 C ATOM 721 O ALA A 49 -15.840 -6.204 10.776 1.00 0.00 O ATOM 722 CB ALA A 49 -18.609 -4.992 10.562 1.00 0.00 C ATOM 0 H ALA A 49 -17.583 -4.871 8.331 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.320 -3.308 10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.819 -5.020 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.391 -4.428 10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.582 -6.009 10.171 1.00 0.00 H new ATOM 728 N GLY A 50 -15.476 -4.305 11.950 1.00 0.00 N ATOM 729 CA GLY A 50 -14.368 -4.857 12.712 1.00 0.00 C ATOM 730 C GLY A 50 -13.100 -4.023 12.518 1.00 0.00 C ATOM 731 O GLY A 50 -12.092 -4.258 13.182 1.00 0.00 O ATOM 0 H GLY A 50 -15.706 -3.336 12.172 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.629 -4.888 13.770 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.183 -5.885 12.399 1.00 0.00 H new ATOM 735 N CYS A 51 -13.193 -3.067 11.605 1.00 0.00 N ATOM 736 CA CYS A 51 -12.065 -2.198 11.316 1.00 0.00 C ATOM 737 C CYS A 51 -12.583 -0.763 11.200 1.00 0.00 C ATOM 738 O CYS A 51 -13.420 -0.329 11.989 1.00 0.00 O ATOM 739 CB CYS A 51 -11.320 -2.639 10.054 1.00 0.00 C ATOM 740 SG CYS A 51 -11.131 -4.459 10.043 1.00 0.00 S ATOM 0 H CYS A 51 -14.031 -2.875 11.056 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.339 -2.258 12.127 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.866 -2.316 9.168 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.340 -2.163 10.015 1.00 0.00 H new ATOM 745 N HIS A 52 -12.059 -0.053 10.200 1.00 0.00 N ATOM 746 CA HIS A 52 -12.430 1.332 9.932 1.00 0.00 C ATOM 747 C HIS A 52 -13.934 1.415 9.615 1.00 0.00 C ATOM 748 O HIS A 52 -14.325 1.344 8.450 1.00 0.00 O ATOM 749 CB HIS A 52 -11.519 1.885 8.826 1.00 0.00 C ATOM 750 CG HIS A 52 -10.033 1.678 9.003 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.292 2.436 9.818 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.171 0.768 8.439 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.019 2.015 9.764 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.888 0.987 8.928 1.00 0.00 N ATOM 0 H HIS A 52 -11.364 -0.426 9.553 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.277 1.963 10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.816 1.429 7.881 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.705 2.955 8.736 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.638 3.208 10.388 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.447 0.003 7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.207 2.453 10.325 1.00 0.00 H new ATOM 762 N ASP A 53 -14.728 1.566 10.665 1.00 0.00 N ATOM 763 CA ASP A 53 -16.169 1.660 10.507 1.00 0.00 C ATOM 764 C ASP A 53 -16.607 3.111 10.716 1.00 0.00 C ATOM 765 O ASP A 53 -17.721 3.485 10.354 1.00 0.00 O ATOM 766 CB ASP A 53 -16.894 0.793 11.538 1.00 0.00 C ATOM 767 CG ASP A 53 -16.924 1.365 12.957 1.00 0.00 C ATOM 768 OD1 ASP A 53 -17.537 2.442 13.122 1.00 0.00 O ATOM 769 OD2 ASP A 53 -16.333 0.713 13.844 1.00 0.00 O ATOM 0 H ASP A 53 -14.400 1.626 11.629 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.422 1.314 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.920 0.638 11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.416 -0.186 11.567 1.00 0.00 H new ATOM 774 N SER A 54 -15.707 3.888 11.300 1.00 0.00 N ATOM 775 CA SER A 54 -15.987 5.290 11.562 1.00 0.00 C ATOM 776 C SER A 54 -16.228 6.031 10.246 1.00 0.00 C ATOM 777 O SER A 54 -15.371 6.030 9.363 1.00 0.00 O ATOM 778 CB SER A 54 -14.842 5.944 12.338 1.00 0.00 C ATOM 779 OG SER A 54 -14.758 7.345 12.086 1.00 0.00 O ATOM 0 H SER A 54 -14.784 3.574 11.599 1.00 0.00 H new ATOM 0 HA SER A 54 -16.887 5.350 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.985 5.776 13.405 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.900 5.469 12.063 1.00 0.00 H new ATOM 0 HG SER A 54 -14.075 7.741 12.666 1.00 0.00 H new ATOM 785 N MET A 55 -17.398 6.645 10.155 1.00 0.00 N ATOM 786 CA MET A 55 -17.763 7.388 8.961 1.00 0.00 C ATOM 787 C MET A 55 -18.538 8.658 9.320 1.00 0.00 C ATOM 788 O MET A 55 -19.699 8.808 8.943 1.00 0.00 O ATOM 789 CB MET A 55 -18.621 6.506 8.052 1.00 0.00 C ATOM 790 CG MET A 55 -17.898 5.201 7.713 1.00 0.00 C ATOM 791 SD MET A 55 -19.047 4.031 7.009 1.00 0.00 S ATOM 792 CE MET A 55 -17.967 3.184 5.867 1.00 0.00 C ATOM 0 H MET A 55 -18.106 6.643 10.889 1.00 0.00 H new ATOM 0 HA MET A 55 -16.849 7.677 8.443 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.568 6.284 8.543 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.857 7.044 7.134 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.089 5.396 7.010 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.445 4.783 8.612 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.474 2.305 5.470 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.707 3.854 5.047 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.059 2.876 6.385 1.00 0.00 H new ATOM 802 N ASP A 56 -17.864 9.539 10.044 1.00 0.00 N ATOM 803 CA ASP A 56 -18.474 10.791 10.459 1.00 0.00 C ATOM 804 C ASP A 56 -17.518 11.945 10.153 1.00 0.00 C ATOM 805 O ASP A 56 -16.572 11.785 9.383 1.00 0.00 O ATOM 806 CB ASP A 56 -18.755 10.795 11.962 1.00 0.00 C ATOM 807 CG ASP A 56 -20.001 11.576 12.385 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.783 11.932 11.477 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.144 11.799 13.607 1.00 0.00 O ATOM 0 H ASP A 56 -16.901 9.411 10.354 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.413 10.905 9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.859 9.764 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.890 11.213 12.477 1.00 0.00 H new ATOM 814 N LYS A 57 -17.799 13.083 10.771 1.00 0.00 N ATOM 815 CA LYS A 57 -16.976 14.264 10.575 1.00 0.00 C ATOM 816 C LYS A 57 -16.484 14.770 11.933 1.00 0.00 C ATOM 817 O LYS A 57 -17.127 15.614 12.554 1.00 0.00 O ATOM 818 CB LYS A 57 -17.734 15.317 9.764 1.00 0.00 C ATOM 819 CG LYS A 57 -18.095 14.785 8.376 1.00 0.00 C ATOM 820 CD LYS A 57 -19.167 13.697 8.467 1.00 0.00 C ATOM 821 CE LYS A 57 -20.300 13.959 7.472 1.00 0.00 C ATOM 822 NZ LYS A 57 -19.791 13.912 6.084 1.00 0.00 N ATOM 0 H LYS A 57 -18.585 13.212 11.408 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.092 14.018 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.642 15.605 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.123 16.215 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.454 15.603 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.204 14.383 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.720 12.723 8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -19.569 13.661 9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.086 13.215 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.747 14.933 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.592 13.922 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.185 14.739 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.238 13.042 5.946 1.00 0.00 H new ATOM 836 N LYS A 58 -15.349 14.232 12.353 1.00 0.00 N ATOM 837 CA LYS A 58 -14.764 14.618 13.626 1.00 0.00 C ATOM 838 C LYS A 58 -13.681 13.609 14.011 1.00 0.00 C ATOM 839 O LYS A 58 -12.490 13.905 13.920 1.00 0.00 O ATOM 840 CB LYS A 58 -15.853 14.787 14.687 1.00 0.00 C ATOM 841 CG LYS A 58 -16.184 16.265 14.903 1.00 0.00 C ATOM 842 CD LYS A 58 -15.381 16.842 16.071 1.00 0.00 C ATOM 843 CE LYS A 58 -16.191 17.898 16.824 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.421 17.301 17.392 1.00 0.00 N ATOM 0 H LYS A 58 -14.819 13.532 11.835 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.279 15.591 13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.751 14.251 14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.522 14.344 15.626 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.966 16.827 13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.250 16.378 15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.098 16.041 16.754 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.457 17.284 15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.586 18.328 17.623 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.453 18.713 16.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.655 17.774 18.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.207 17.422 16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.267 16.287 17.566 1.00 0.00 H new ATOM 858 N ASP A 59 -14.132 12.437 14.434 1.00 0.00 N ATOM 859 CA ASP A 59 -13.216 11.382 14.834 1.00 0.00 C ATOM 860 C ASP A 59 -12.149 11.203 13.753 1.00 0.00 C ATOM 861 O ASP A 59 -12.471 11.048 12.576 1.00 0.00 O ATOM 862 CB ASP A 59 -13.949 10.050 15.000 1.00 0.00 C ATOM 863 CG ASP A 59 -13.068 8.806 14.872 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.535 8.600 13.760 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.946 8.090 15.889 1.00 0.00 O ATOM 0 H ASP A 59 -15.120 12.195 14.508 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.767 11.667 15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.430 10.037 15.978 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.742 9.993 14.254 1.00 0.00 H new ATOM 870 N LYS A 60 -10.898 11.230 14.191 1.00 0.00 N ATOM 871 CA LYS A 60 -9.781 11.072 13.275 1.00 0.00 C ATOM 872 C LYS A 60 -8.926 9.884 13.721 1.00 0.00 C ATOM 873 O LYS A 60 -7.821 9.686 13.217 1.00 0.00 O ATOM 874 CB LYS A 60 -8.999 12.381 13.153 1.00 0.00 C ATOM 875 CG LYS A 60 -9.885 13.499 12.600 1.00 0.00 C ATOM 876 CD LYS A 60 -9.253 14.139 11.362 1.00 0.00 C ATOM 877 CE LYS A 60 -9.937 13.650 10.083 1.00 0.00 C ATOM 878 NZ LYS A 60 -11.117 14.488 9.774 1.00 0.00 N ATOM 0 H LYS A 60 -10.634 11.359 15.168 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.140 10.848 12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.611 12.669 14.130 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.140 12.236 12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.866 13.098 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.040 14.258 13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.332 15.224 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.191 13.898 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.233 13.682 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.243 12.610 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.570 14.143 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.795 14.436 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.817 15.475 9.640 1.00 0.00 H new ATOM 892 N SER A 61 -9.469 9.125 14.661 1.00 0.00 N ATOM 893 CA SER A 61 -8.769 7.963 15.181 1.00 0.00 C ATOM 894 C SER A 61 -8.510 6.960 14.055 1.00 0.00 C ATOM 895 O SER A 61 -9.028 7.116 12.950 1.00 0.00 O ATOM 896 CB SER A 61 -9.562 7.300 16.309 1.00 0.00 C ATOM 897 OG SER A 61 -9.104 7.708 17.595 1.00 0.00 O ATOM 0 H SER A 61 -10.386 9.292 15.076 1.00 0.00 H new ATOM 0 HA SER A 61 -7.815 8.295 15.590 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.618 7.549 16.205 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.480 6.217 16.222 1.00 0.00 H new ATOM 0 HG SER A 61 -9.636 7.264 18.288 1.00 0.00 H new ATOM 903 N ALA A 62 -7.710 5.953 14.373 1.00 0.00 N ATOM 904 CA ALA A 62 -7.377 4.926 13.402 1.00 0.00 C ATOM 905 C ALA A 62 -8.666 4.336 12.827 1.00 0.00 C ATOM 906 O ALA A 62 -8.694 3.898 11.678 1.00 0.00 O ATOM 907 CB ALA A 62 -6.495 3.865 14.063 1.00 0.00 C ATOM 0 H ALA A 62 -7.283 5.827 15.290 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.811 5.351 12.573 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.245 3.094 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.579 4.329 14.429 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.032 3.415 14.898 1.00 0.00 H new ATOM 913 N LYS A 63 -9.702 4.345 13.652 1.00 0.00 N ATOM 914 CA LYS A 63 -10.991 3.816 13.240 1.00 0.00 C ATOM 915 C LYS A 63 -11.549 4.673 12.102 1.00 0.00 C ATOM 916 O LYS A 63 -12.296 4.180 11.258 1.00 0.00 O ATOM 917 CB LYS A 63 -11.932 3.701 14.441 1.00 0.00 C ATOM 918 CG LYS A 63 -11.706 2.386 15.191 1.00 0.00 C ATOM 919 CD LYS A 63 -11.520 2.635 16.689 1.00 0.00 C ATOM 920 CE LYS A 63 -10.040 2.810 17.036 1.00 0.00 C ATOM 921 NZ LYS A 63 -9.752 2.250 18.376 1.00 0.00 N ATOM 0 H LYS A 63 -9.675 4.710 14.604 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.881 2.803 12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.770 4.541 15.116 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.967 3.758 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.555 1.722 15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.827 1.881 14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.074 3.526 16.985 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.933 1.800 17.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.424 2.313 16.287 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.778 3.868 17.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.743 2.377 18.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.327 2.743 19.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.983 1.236 18.386 1.00 0.00 H new ATOM 935 N GLY A 64 -11.165 5.941 12.116 1.00 0.00 N ATOM 936 CA GLY A 64 -11.618 6.871 11.096 1.00 0.00 C ATOM 937 C GLY A 64 -11.407 6.293 9.695 1.00 0.00 C ATOM 938 O GLY A 64 -10.287 6.045 9.252 1.00 0.00 O ATOM 0 H GLY A 64 -10.545 6.346 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.674 7.095 11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.076 7.812 11.190 1.00 0.00 H new ATOM 942 N TYR A 65 -12.525 6.082 8.997 1.00 0.00 N ATOM 943 CA TYR A 65 -12.495 5.537 7.655 1.00 0.00 C ATOM 944 C TYR A 65 -11.911 6.563 6.694 1.00 0.00 C ATOM 945 O TYR A 65 -11.080 6.227 5.853 1.00 0.00 O ATOM 946 CB TYR A 65 -13.910 5.148 7.234 1.00 0.00 C ATOM 947 CG TYR A 65 -13.957 4.315 5.976 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.868 3.503 5.632 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.088 4.353 5.152 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.912 2.731 4.466 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.131 3.581 3.986 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.043 2.769 3.642 1.00 0.00 C ATOM 953 OH TYR A 65 -14.086 2.016 2.506 1.00 0.00 O ATOM 0 H TYR A 65 -13.461 6.284 9.348 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.865 4.648 7.633 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.382 4.594 8.045 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.497 6.054 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.995 3.473 6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.928 4.979 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.073 2.105 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.004 3.611 3.351 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.461 2.549 1.774 1.00 0.00 H new ATOM 963 N TYR A 66 -12.347 7.818 6.821 1.00 0.00 N ATOM 964 CA TYR A 66 -11.867 8.883 5.965 1.00 0.00 C ATOM 965 C TYR A 66 -10.543 9.415 6.496 1.00 0.00 C ATOM 966 O TYR A 66 -9.971 10.311 5.876 1.00 0.00 O ATOM 967 CB TYR A 66 -12.911 9.995 5.904 1.00 0.00 C ATOM 968 CG TYR A 66 -12.340 11.337 5.513 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.648 12.106 6.456 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.503 11.813 4.206 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.119 13.350 6.094 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.974 13.057 3.843 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.283 13.826 4.787 1.00 0.00 C ATOM 974 OH TYR A 66 -10.768 15.039 4.433 1.00 0.00 O ATOM 0 H TYR A 66 -13.035 8.113 7.514 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.704 8.500 4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.685 9.716 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.393 10.084 6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.522 11.739 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.037 11.220 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.585 13.943 6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.099 13.424 2.835 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.970 15.218 3.491 1.00 0.00 H new ATOM 984 N HIS A 67 -10.087 8.865 7.611 1.00 0.00 N ATOM 985 CA HIS A 67 -8.833 9.299 8.201 1.00 0.00 C ATOM 986 C HIS A 67 -7.711 8.347 7.783 1.00 0.00 C ATOM 987 O HIS A 67 -6.535 8.631 8.003 1.00 0.00 O ATOM 988 CB HIS A 67 -8.963 9.430 9.720 1.00 0.00 C ATOM 989 CG HIS A 67 -7.659 9.271 10.465 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.803 10.330 10.712 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.075 8.167 11.014 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.753 9.873 11.379 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.924 8.532 11.565 1.00 0.00 N ATOM 0 H HIS A 67 -10.564 8.122 8.122 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.578 10.291 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.387 10.406 9.955 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.669 8.681 10.080 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.955 11.298 10.429 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.480 7.166 11.002 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.910 10.459 11.716 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.274 7.912 12.048 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.115 7.235 7.186 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.159 6.238 6.734 1.00 0.00 C ATOM 1003 C VAL A 68 -7.054 6.293 5.208 1.00 0.00 C ATOM 1004 O VAL A 68 -6.497 5.389 4.588 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.557 4.856 7.257 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.381 4.773 8.774 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.991 4.509 6.851 1.00 0.00 C ATOM 0 H VAL A 68 -9.091 7.002 7.005 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.168 6.449 7.136 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.893 4.121 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.671 3.781 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.337 4.956 9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.009 5.523 9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.249 3.522 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.676 5.250 7.264 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.071 4.508 5.764 1.00 0.00 H new ATOM 1017 N MET A 69 -7.599 7.363 4.648 1.00 0.00 N ATOM 1018 CA MET A 69 -7.574 7.547 3.207 1.00 0.00 C ATOM 1019 C MET A 69 -7.507 9.032 2.845 1.00 0.00 C ATOM 1020 O MET A 69 -7.912 9.435 1.757 1.00 0.00 O ATOM 1021 CB MET A 69 -8.830 6.928 2.591 1.00 0.00 C ATOM 1022 CG MET A 69 -9.832 6.528 3.676 1.00 0.00 C ATOM 1023 SD MET A 69 -11.002 5.348 3.022 1.00 0.00 S ATOM 1024 CE MET A 69 -10.249 3.827 3.574 1.00 0.00 C ATOM 0 H MET A 69 -8.060 8.111 5.166 1.00 0.00 H new ATOM 0 HA MET A 69 -6.685 7.055 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.293 7.640 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.557 6.052 2.002 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.306 6.097 4.528 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.358 7.411 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.570 3.008 2.931 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.164 3.920 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.552 3.623 4.601 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.986 9.819 3.787 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.841 11.261 3.624 1.00 0.00 C ATOM 1036 C HIS A 70 -5.643 11.761 4.452 1.00 0.00 C ATOM 1037 O HIS A 70 -4.562 11.978 3.906 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.175 11.938 3.971 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.355 11.608 3.085 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.124 10.533 3.282 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.872 12.253 1.987 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.083 10.509 2.343 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.973 11.548 1.517 1.00 0.00 N ATOM 0 H HIS A 70 -6.653 9.471 4.686 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.617 11.524 2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.435 11.673 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.025 13.017 3.949 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.002 9.844 4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.484 13.164 1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.844 9.747 2.267 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.877 11.925 5.745 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.833 12.391 6.642 1.00 0.00 C ATOM 1053 C ASP A 71 -3.513 11.707 6.279 1.00 0.00 C ATOM 1054 O ASP A 71 -3.509 10.592 5.761 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.161 12.045 8.096 1.00 0.00 C ATOM 1056 CG ASP A 71 -6.165 12.980 8.772 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -6.835 13.728 8.028 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.240 12.926 10.019 1.00 0.00 O ATOM 0 H ASP A 71 -6.775 11.743 6.194 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.756 13.473 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.553 11.028 8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.236 12.051 8.673 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.424 12.405 6.565 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.101 11.880 6.276 1.00 0.00 C ATOM 1065 C LYS A 72 -0.342 11.670 7.588 1.00 0.00 C ATOM 1066 O LYS A 72 0.730 11.066 7.600 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.370 12.785 5.281 1.00 0.00 C ATOM 1068 CG LYS A 72 0.067 14.091 5.947 1.00 0.00 C ATOM 1069 CD LYS A 72 0.916 14.935 4.995 1.00 0.00 C ATOM 1070 CE LYS A 72 2.399 14.848 5.360 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.084 13.847 4.512 1.00 0.00 N ATOM 0 H LYS A 72 -2.431 13.330 6.994 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.176 10.907 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.502 12.265 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.023 13.004 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.812 14.658 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.637 13.870 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.769 14.593 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.589 15.974 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.869 15.823 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.506 14.577 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.090 13.801 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.646 12.914 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.998 14.122 3.513 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.927 12.180 8.661 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.320 12.056 9.975 1.00 0.00 C ATOM 1087 C ASN A 73 -0.760 10.737 10.613 1.00 0.00 C ATOM 1088 O ASN A 73 -1.159 10.709 11.777 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.760 13.196 10.896 1.00 0.00 C ATOM 1090 CG ASN A 73 0.129 14.428 10.706 1.00 0.00 C ATOM 1091 OD1 ASN A 73 -0.204 15.361 9.993 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.273 14.378 11.381 1.00 0.00 N ATOM 0 H ASN A 73 -1.816 12.680 8.647 1.00 0.00 H new ATOM 0 HA ASN A 73 0.762 12.091 9.850 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.798 13.456 10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.715 12.867 11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.935 15.152 11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.489 13.566 11.960 1.00 0.00 H new ATOM 1099 N THR A 74 -0.673 9.676 9.824 1.00 0.00 N ATOM 1100 CA THR A 74 -1.057 8.358 10.298 1.00 0.00 C ATOM 1101 C THR A 74 0.134 7.399 10.232 1.00 0.00 C ATOM 1102 O THR A 74 1.130 7.686 9.569 1.00 0.00 O ATOM 1103 CB THR A 74 -2.259 7.891 9.474 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.857 8.104 8.123 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.477 8.800 9.648 1.00 0.00 C ATOM 0 H THR A 74 -0.342 9.703 8.860 1.00 0.00 H new ATOM 0 HA THR A 74 -1.354 8.386 11.346 1.00 0.00 H new ATOM 0 HB THR A 74 -2.522 6.873 9.761 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.345 7.330 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.301 8.424 9.042 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.774 8.813 10.697 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.225 9.811 9.329 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.008 6.281 10.929 1.00 0.00 N ATOM 1114 CA LYS A 75 1.044 5.279 10.958 1.00 0.00 C ATOM 1115 C LYS A 75 1.282 4.755 9.540 1.00 0.00 C ATOM 1116 O LYS A 75 2.424 4.525 9.143 1.00 0.00 O ATOM 1117 CB LYS A 75 0.712 4.183 11.971 1.00 0.00 C ATOM 1118 CG LYS A 75 1.895 3.231 12.158 1.00 0.00 C ATOM 1119 CD LYS A 75 2.810 3.708 13.288 1.00 0.00 C ATOM 1120 CE LYS A 75 4.010 4.477 12.733 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.510 5.448 13.733 1.00 0.00 N ATOM 0 H LYS A 75 -0.835 6.047 11.478 1.00 0.00 H new ATOM 0 HA LYS A 75 1.981 5.720 11.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.450 4.635 12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.160 3.623 11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.528 2.229 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.462 3.164 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.249 4.346 13.971 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.158 2.851 13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.804 3.780 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.724 5.000 11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.325 5.962 13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.755 6.124 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.802 4.941 14.593 1.00 0.00 H new ATOM 1135 N PHE A 76 0.186 4.580 8.816 1.00 0.00 N ATOM 1136 CA PHE A 76 0.262 4.087 7.451 1.00 0.00 C ATOM 1137 C PHE A 76 -0.195 5.156 6.456 1.00 0.00 C ATOM 1138 O PHE A 76 -0.978 6.039 6.804 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.680 2.885 7.358 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.380 1.779 8.372 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.801 1.107 8.315 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.294 1.468 9.329 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.080 0.080 9.256 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.015 0.442 10.270 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.166 -0.231 10.213 1.00 0.00 C ATOM 0 H PHE A 76 -0.759 4.771 9.149 1.00 0.00 H new ATOM 0 HA PHE A 76 1.290 3.819 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.705 3.228 7.502 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.622 2.468 6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.527 1.354 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.232 2.001 9.374 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.018 -0.454 9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.740 0.196 11.031 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.377 -1.012 10.928 1.00 0.00 H new ATOM 1155 N LYS A 77 0.314 5.041 5.239 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.031 5.987 4.191 1.00 0.00 C ATOM 1157 C LYS A 77 -1.530 5.893 3.899 1.00 0.00 C ATOM 1158 O LYS A 77 -2.160 4.877 4.189 1.00 0.00 O ATOM 1159 CB LYS A 77 0.850 5.767 2.959 1.00 0.00 C ATOM 1160 CG LYS A 77 2.308 5.540 3.361 1.00 0.00 C ATOM 1161 CD LYS A 77 3.244 6.457 2.571 1.00 0.00 C ATOM 1162 CE LYS A 77 4.567 6.660 3.311 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.151 5.356 3.698 1.00 0.00 N ATOM 0 H LYS A 77 0.963 4.307 4.955 1.00 0.00 H new ATOM 0 HA LYS A 77 0.168 7.007 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.486 4.907 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.781 6.632 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.428 5.725 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.579 4.499 3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.436 6.027 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.762 7.421 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.266 7.204 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.403 7.270 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.156 5.482 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.647 4.982 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.061 4.687 2.907 1.00 0.00 H new ATOM 1177 N SER A 78 -2.058 6.967 3.330 1.00 0.00 N ATOM 1178 CA SER A 78 -3.471 7.019 2.996 1.00 0.00 C ATOM 1179 C SER A 78 -3.648 7.072 1.477 1.00 0.00 C ATOM 1180 O SER A 78 -3.191 6.181 0.764 1.00 0.00 O ATOM 1181 CB SER A 78 -4.148 8.224 3.652 1.00 0.00 C ATOM 1182 OG SER A 78 -4.030 8.195 5.072 1.00 0.00 O ATOM 0 H SER A 78 -1.532 7.808 3.092 1.00 0.00 H new ATOM 0 HA SER A 78 -3.947 6.116 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.703 9.143 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.202 8.242 3.376 1.00 0.00 H new ATOM 0 HG SER A 78 -4.146 9.100 5.428 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.313 8.127 1.028 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.556 8.308 -0.393 1.00 0.00 C ATOM 1190 C CYS A 79 -4.132 9.727 -0.776 1.00 0.00 C ATOM 1191 O CYS A 79 -3.439 9.925 -1.773 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.016 8.031 -0.757 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.564 6.309 -0.471 1.00 0.00 S ATOM 0 H CYS A 79 -4.691 8.864 1.623 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.966 7.588 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.653 8.701 -0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.166 8.275 -1.809 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.565 10.680 0.037 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.239 12.075 -0.204 1.00 0.00 C ATOM 1200 C VAL A 80 -2.794 12.338 0.224 1.00 0.00 C ATOM 1201 O VAL A 80 -2.125 13.204 -0.337 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.247 12.979 0.510 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.831 14.448 0.412 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.658 12.770 -0.044 1.00 0.00 C ATOM 0 H VAL A 80 -5.139 10.513 0.863 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.311 12.305 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.257 12.704 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.564 15.069 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.853 14.581 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.779 14.742 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.355 13.424 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.670 13.006 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.956 11.732 0.101 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.355 11.573 1.213 1.00 0.00 N ATOM 1215 CA GLY A 81 -1.001 11.712 1.722 1.00 0.00 C ATOM 1216 C GLY A 81 0.026 11.544 0.600 1.00 0.00 C ATOM 1217 O GLY A 81 0.672 12.509 0.195 1.00 0.00 O ATOM 0 H GLY A 81 -2.913 10.855 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.882 12.691 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.822 10.968 2.498 1.00 0.00 H new ATOM 1221 N CYS A 82 0.145 10.311 0.129 1.00 0.00 N ATOM 1222 CA CYS A 82 1.082 10.004 -0.938 1.00 0.00 C ATOM 1223 C CYS A 82 0.973 11.097 -2.002 1.00 0.00 C ATOM 1224 O CYS A 82 1.978 11.653 -2.440 1.00 0.00 O ATOM 1225 CB CYS A 82 0.837 8.612 -1.523 1.00 0.00 C ATOM 1226 SG CYS A 82 2.336 8.026 -2.393 1.00 0.00 S ATOM 0 H CYS A 82 -0.392 9.513 0.467 1.00 0.00 H new ATOM 0 HA CYS A 82 2.097 9.985 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.573 7.916 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.006 8.642 -2.213 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.270 11.380 -2.395 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.572 12.393 -3.400 1.00 0.00 C ATOM 1233 C HIS A 83 0.033 13.744 -2.976 1.00 0.00 C ATOM 1234 O HIS A 83 0.510 14.500 -3.820 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.089 12.425 -3.633 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.670 11.317 -4.481 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.742 11.494 -5.260 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.289 10.007 -4.646 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.018 10.339 -5.885 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.152 9.387 -5.543 1.00 0.00 N ATOM 0 H HIS A 83 -1.095 10.910 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.114 12.153 -4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.583 12.404 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.342 13.378 -4.099 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.264 12.364 -5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.451 9.533 -4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.836 10.200 -6.576 1.00 0.00 H new ATOM 1248 N VAL A 84 -0.007 14.000 -1.676 1.00 0.00 N ATOM 1249 CA VAL A 84 0.529 15.239 -1.141 1.00 0.00 C ATOM 1250 C VAL A 84 2.058 15.191 -1.192 1.00 0.00 C ATOM 1251 O VAL A 84 2.708 16.215 -1.402 1.00 0.00 O ATOM 1252 CB VAL A 84 -0.015 15.479 0.269 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.634 16.710 0.905 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.539 15.609 0.253 1.00 0.00 C ATOM 0 H VAL A 84 -0.403 13.370 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 84 0.209 16.087 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 84 0.241 14.613 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.230 16.858 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.712 16.562 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.423 17.588 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.900 15.779 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.826 16.449 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.978 14.692 -0.140 1.00 0.00 H new ATOM 1264 N GLU A 85 2.588 13.993 -0.995 1.00 0.00 N ATOM 1265 CA GLU A 85 4.027 13.799 -1.016 1.00 0.00 C ATOM 1266 C GLU A 85 4.521 13.639 -2.456 1.00 0.00 C ATOM 1267 O GLU A 85 5.725 13.609 -2.703 1.00 0.00 O ATOM 1268 CB GLU A 85 4.431 12.595 -0.161 1.00 0.00 C ATOM 1269 CG GLU A 85 5.110 13.046 1.133 1.00 0.00 C ATOM 1270 CD GLU A 85 6.322 13.932 0.837 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.999 13.647 -0.175 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.544 14.874 1.628 1.00 0.00 O ATOM 0 H GLU A 85 2.046 13.147 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 85 4.499 14.683 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.549 12.000 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.107 11.953 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.397 13.593 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.424 12.174 1.706 1.00 0.00 H new ATOM 1279 N VAL A 86 3.565 13.540 -3.368 1.00 0.00 N ATOM 1280 CA VAL A 86 3.887 13.384 -4.776 1.00 0.00 C ATOM 1281 C VAL A 86 4.022 14.765 -5.420 1.00 0.00 C ATOM 1282 O VAL A 86 5.064 15.090 -5.987 1.00 0.00 O ATOM 1283 CB VAL A 86 2.836 12.505 -5.458 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.072 12.442 -6.969 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.813 11.103 -4.848 1.00 0.00 C ATOM 0 H VAL A 86 2.567 13.565 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 86 4.844 12.876 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 86 1.859 12.959 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.312 11.811 -7.430 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.014 13.446 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.059 12.023 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.057 10.500 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.791 10.637 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.575 11.172 -3.787 1.00 0.00 H new ATOM 1295 N ALA A 87 2.953 15.540 -5.311 1.00 0.00 N ATOM 1296 CA ALA A 87 2.939 16.879 -5.876 1.00 0.00 C ATOM 1297 C ALA A 87 4.023 17.723 -5.202 1.00 0.00 C ATOM 1298 O ALA A 87 4.568 17.332 -4.171 1.00 0.00 O ATOM 1299 CB ALA A 87 1.544 17.486 -5.717 1.00 0.00 C ATOM 0 H ALA A 87 2.091 15.267 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 87 3.161 16.848 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.534 18.490 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.815 16.865 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.287 17.536 -4.659 1.00 0.00 H new ATOM 1305 N GLY A 88 4.303 18.865 -5.813 1.00 0.00 N ATOM 1306 CA GLY A 88 5.312 19.768 -5.285 1.00 0.00 C ATOM 1307 C GLY A 88 5.379 21.056 -6.108 1.00 0.00 C ATOM 1308 O GLY A 88 5.327 22.154 -5.556 1.00 0.00 O ATOM 0 H GLY A 88 3.849 19.186 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.083 20.007 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.285 19.276 -5.292 1.00 0.00 H new ATOM 1312 N ALA A 89 5.494 20.879 -7.416 1.00 0.00 N ATOM 1313 CA ALA A 89 5.569 22.014 -8.321 1.00 0.00 C ATOM 1314 C ALA A 89 4.331 22.028 -9.219 1.00 0.00 C ATOM 1315 O ALA A 89 3.886 23.089 -9.653 1.00 0.00 O ATOM 1316 CB ALA A 89 6.870 21.941 -9.123 1.00 0.00 C ATOM 0 H ALA A 89 5.537 19.967 -7.871 1.00 0.00 H new ATOM 0 HA ALA A 89 5.581 22.950 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.927 22.792 -9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.720 21.964 -8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.891 21.016 -9.698 1.00 0.00 H new ATOM 1322 N ASP A 90 3.808 20.836 -9.470 1.00 0.00 N ATOM 1323 CA ASP A 90 2.629 20.698 -10.308 1.00 0.00 C ATOM 1324 C ASP A 90 1.385 21.059 -9.494 1.00 0.00 C ATOM 1325 O ASP A 90 0.717 20.180 -8.951 1.00 0.00 O ATOM 1326 CB ASP A 90 2.470 19.259 -10.802 1.00 0.00 C ATOM 1327 CG ASP A 90 1.653 19.103 -12.086 1.00 0.00 C ATOM 1328 OD1 ASP A 90 0.620 19.800 -12.191 1.00 0.00 O ATOM 1329 OD2 ASP A 90 2.079 18.290 -12.935 1.00 0.00 O ATOM 0 H ASP A 90 4.179 19.958 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 90 2.744 21.362 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.461 18.835 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.998 18.671 -10.015 1.00 0.00 H new ATOM 1334 N ALA A 91 1.111 22.354 -9.434 1.00 0.00 N ATOM 1335 CA ALA A 91 -0.041 22.842 -8.695 1.00 0.00 C ATOM 1336 C ALA A 91 -1.301 22.134 -9.197 1.00 0.00 C ATOM 1337 O ALA A 91 -2.088 21.622 -8.402 1.00 0.00 O ATOM 1338 CB ALA A 91 -0.132 24.363 -8.837 1.00 0.00 C ATOM 0 H ALA A 91 1.667 23.080 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 91 0.062 22.619 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.996 24.729 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.774 24.820 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.239 24.624 -9.890 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.453 22.126 -10.513 1.00 0.00 N ATOM 1345 CA ALA A 92 -2.603 21.488 -11.130 1.00 0.00 C ATOM 1346 C ALA A 92 -2.819 20.113 -10.496 1.00 0.00 C ATOM 1347 O ALA A 92 -3.937 19.770 -10.115 1.00 0.00 O ATOM 1348 CB ALA A 92 -2.392 21.407 -12.643 1.00 0.00 C ATOM 0 H ALA A 92 -0.798 22.551 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.505 22.075 -10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.255 20.928 -13.106 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.274 22.412 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.496 20.823 -12.855 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.731 19.362 -10.403 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.788 18.031 -9.822 1.00 0.00 C ATOM 1356 C LYS A 93 -2.163 18.141 -8.343 1.00 0.00 C ATOM 1357 O LYS A 93 -2.767 17.228 -7.783 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.477 17.283 -10.070 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.707 16.049 -10.945 1.00 0.00 C ATOM 1360 CD LYS A 93 0.618 15.363 -11.286 1.00 0.00 C ATOM 1361 CE LYS A 93 1.613 15.487 -10.131 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.036 14.928 -8.888 1.00 0.00 N ATOM 0 H LYS A 93 -0.805 19.650 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.564 17.437 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.239 17.948 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.040 16.982 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.361 15.348 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.217 16.340 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.440 14.310 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.042 15.810 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.535 14.961 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.874 16.534 -9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.548 15.308 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.032 15.191 -8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.122 13.892 -8.901 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.788 19.267 -7.752 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.078 19.508 -6.349 1.00 0.00 C ATOM 1378 C LYS A 94 -3.548 19.904 -6.197 1.00 0.00 C ATOM 1379 O LYS A 94 -4.026 20.115 -5.083 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.102 20.533 -5.769 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.746 21.918 -5.684 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.200 22.225 -4.256 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.118 23.448 -4.223 1.00 0.00 C ATOM 1384 NZ LYS A 94 -2.321 24.692 -4.130 1.00 0.00 N ATOM 0 H LYS A 94 -1.286 20.022 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.931 18.598 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.783 20.215 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.208 20.581 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.034 22.675 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.600 21.968 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.723 21.362 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.330 22.402 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.735 23.471 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.796 23.379 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.960 25.513 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.750 24.675 -3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.692 24.764 -4.955 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.225 19.994 -7.333 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.630 20.362 -7.340 1.00 0.00 C ATOM 1400 C LYS A 95 -6.437 19.261 -8.032 1.00 0.00 C ATOM 1401 O LYS A 95 -7.661 19.349 -8.124 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.818 21.746 -7.963 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.145 22.369 -7.524 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.107 23.893 -7.658 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.197 24.316 -9.126 1.00 0.00 C ATOM 1406 NZ LYS A 95 -7.031 25.781 -9.254 1.00 0.00 N ATOM 0 H LYS A 95 -3.826 19.818 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.008 20.443 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.993 22.395 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.791 21.666 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.957 21.967 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.354 22.097 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.933 24.332 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.186 24.277 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.428 23.805 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.160 24.016 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.095 26.051 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.780 26.263 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.102 26.059 -8.879 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.720 18.251 -8.500 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.354 17.135 -9.180 1.00 0.00 C ATOM 1422 C ASP A 96 -6.114 15.852 -8.381 1.00 0.00 C ATOM 1423 O ASP A 96 -6.912 14.919 -8.443 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.767 16.937 -10.579 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.581 18.221 -11.390 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.338 19.177 -11.120 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.684 18.217 -12.261 1.00 0.00 O ATOM 0 H ASP A 96 -4.705 18.182 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.419 17.352 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.801 16.442 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.417 16.263 -11.137 1.00 0.00 H new ATOM 1432 N LEU A 97 -5.010 15.848 -7.649 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.654 14.695 -6.838 1.00 0.00 C ATOM 1434 C LEU A 97 -5.193 14.889 -5.419 1.00 0.00 C ATOM 1435 O LEU A 97 -5.751 13.964 -4.832 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.145 14.446 -6.894 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.541 14.297 -8.292 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.377 13.304 -8.283 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.613 13.915 -9.314 1.00 0.00 C ATOM 0 H LEU A 97 -4.350 16.624 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.118 13.792 -7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.642 15.270 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.925 13.542 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.137 15.263 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.966 13.216 -9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.602 13.658 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.733 12.329 -7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.157 13.815 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.068 12.967 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.379 14.690 -9.345 1.00 0.00 H new ATOM 1451 N THR A 98 -5.008 16.098 -4.910 1.00 0.00 N ATOM 1452 CA THR A 98 -5.469 16.425 -3.572 1.00 0.00 C ATOM 1453 C THR A 98 -6.745 17.266 -3.638 1.00 0.00 C ATOM 1454 O THR A 98 -7.345 17.573 -2.608 1.00 0.00 O ATOM 1455 CB THR A 98 -4.322 17.117 -2.832 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.096 18.308 -3.581 1.00 0.00 O ATOM 1457 CG2 THR A 98 -3.004 16.349 -2.946 1.00 0.00 C ATOM 0 H THR A 98 -4.545 16.863 -5.400 1.00 0.00 H new ATOM 0 HA THR A 98 -5.738 15.527 -3.016 1.00 0.00 H new ATOM 0 HB THR A 98 -4.585 17.232 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.754 18.369 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.224 16.883 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.125 15.353 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.723 16.263 -3.996 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.123 17.615 -4.859 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.317 18.415 -5.073 1.00 0.00 C ATOM 1467 C GLY A 99 -9.538 17.764 -4.419 1.00 0.00 C ATOM 1468 O GLY A 99 -9.608 16.541 -4.309 1.00 0.00 O ATOM 0 H GLY A 99 -6.623 17.358 -5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.169 19.413 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.493 18.534 -6.142 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.469 18.610 -4.004 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.683 18.132 -3.364 1.00 0.00 C ATOM 1474 C CYS A 100 -12.760 17.970 -4.439 1.00 0.00 C ATOM 1475 O CYS A 100 -13.439 16.946 -4.493 1.00 0.00 O ATOM 1476 CB CYS A 100 -12.135 19.065 -2.239 1.00 0.00 C ATOM 1477 SG CYS A 100 -11.103 19.002 -0.729 1.00 0.00 S ATOM 0 H CYS A 100 -10.407 19.624 -4.098 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.493 17.168 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -12.142 20.088 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.162 18.817 -1.971 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.883 18.997 -5.267 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.866 18.982 -6.337 1.00 0.00 C ATOM 1484 C LYS A 101 -13.145 18.923 -7.686 1.00 0.00 C ATOM 1485 O LYS A 101 -12.146 19.611 -7.890 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.822 20.168 -6.203 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.292 21.388 -6.958 1.00 0.00 C ATOM 1488 CD LYS A 101 -13.040 21.951 -6.281 1.00 0.00 C ATOM 1489 CE LYS A 101 -12.741 23.368 -6.774 1.00 0.00 C ATOM 1490 NZ LYS A 101 -11.353 23.752 -6.433 1.00 0.00 N ATOM 0 H LYS A 101 -12.318 19.845 -5.218 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.489 18.090 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.803 19.894 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.953 20.417 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.060 21.111 -7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.063 22.157 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.180 21.960 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.188 21.303 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.885 23.422 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.441 24.072 -6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.166 24.716 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.227 23.720 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.689 23.090 -6.884 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.679 18.094 -8.571 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.099 17.936 -9.893 1.00 0.00 C ATOM 1506 C LYS A 102 -11.877 17.021 -9.804 1.00 0.00 C ATOM 1507 O LYS A 102 -11.236 16.735 -10.814 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.800 19.303 -10.514 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.828 19.229 -12.042 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.951 20.098 -12.612 1.00 0.00 C ATOM 1511 CE LYS A 102 -13.907 20.117 -14.141 1.00 0.00 C ATOM 1512 NZ LYS A 102 -14.258 18.786 -14.686 1.00 0.00 N ATOM 0 H LYS A 102 -14.507 17.525 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.809 17.454 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.533 20.032 -10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.822 19.652 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.869 19.558 -12.443 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.968 18.195 -12.357 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.916 19.717 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.859 21.114 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.601 20.867 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.911 20.404 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.373 18.852 -15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.500 18.109 -14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.148 18.460 -14.259 1.00 0.00 H new ATOM 1526 N SER A 103 -11.591 16.586 -8.585 1.00 0.00 N ATOM 1527 CA SER A 103 -10.456 15.709 -8.351 1.00 0.00 C ATOM 1528 C SER A 103 -10.751 14.313 -8.905 1.00 0.00 C ATOM 1529 O SER A 103 -11.902 13.879 -8.924 1.00 0.00 O ATOM 1530 CB SER A 103 -10.121 15.628 -6.860 1.00 0.00 C ATOM 1531 OG SER A 103 -9.244 14.544 -6.568 1.00 0.00 O ATOM 0 H SER A 103 -12.125 16.824 -7.750 1.00 0.00 H new ATOM 0 HA SER A 103 -9.591 16.123 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.661 16.563 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.041 15.514 -6.287 1.00 0.00 H new ATOM 0 HG SER A 103 -8.447 14.606 -7.135 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.691 13.649 -9.342 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.821 12.312 -9.895 1.00 0.00 C ATOM 1539 C LYS A 104 -10.611 11.436 -8.920 1.00 0.00 C ATOM 1540 O LYS A 104 -11.453 10.642 -9.335 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.447 11.745 -10.255 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.188 11.849 -11.760 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.693 13.247 -12.136 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.318 13.181 -12.802 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.140 14.314 -13.738 1.00 0.00 N ATOM 0 H LYS A 104 -8.738 14.012 -9.324 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.384 12.339 -10.828 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.673 12.286 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.387 10.702 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.449 11.105 -12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.104 11.624 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.406 13.720 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.639 13.870 -11.243 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.538 13.204 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.212 12.238 -13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.201 14.254 -14.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.874 14.275 -14.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.220 15.211 -13.217 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.312 11.612 -7.641 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.983 10.848 -6.603 1.00 0.00 C ATOM 1561 C CYS A 105 -12.439 11.311 -6.532 1.00 0.00 C ATOM 1562 O CYS A 105 -13.362 10.526 -6.738 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.274 10.982 -5.254 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.518 10.494 -5.418 1.00 0.00 S ATOM 0 H CYS A 105 -9.614 12.273 -7.300 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.952 9.787 -6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.342 12.010 -4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.766 10.354 -4.511 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.606 12.601 -6.236 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.921 13.223 -6.123 1.00 0.00 C ATOM 1571 C HIS A 106 -14.233 14.015 -7.407 1.00 0.00 C ATOM 1572 O HIS A 106 -14.411 15.231 -7.355 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.965 14.062 -4.837 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.817 13.314 -3.533 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.762 12.496 -3.061 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.795 13.288 -2.613 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.347 11.981 -1.893 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.138 12.437 -1.570 1.00 0.00 N ATOM 0 H HIS A 106 -11.831 13.242 -6.068 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.710 12.476 -6.036 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.174 14.810 -4.892 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.912 14.601 -4.815 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.653 12.296 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.871 13.842 -2.689 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.919 11.288 -1.294 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.290 13.294 -8.517 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.578 13.916 -9.799 1.00 0.00 C ATOM 1588 C GLU A 107 -16.059 13.757 -10.145 1.00 0.00 C ATOM 1589 O GLU A 107 -16.505 14.204 -11.201 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.691 13.334 -10.901 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.017 14.446 -11.707 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.690 14.623 -13.069 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.890 14.285 -13.157 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.989 15.092 -13.992 1.00 0.00 O ATOM 0 H GLU A 107 -14.142 12.286 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.356 14.980 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.932 12.689 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.291 12.711 -11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.063 15.382 -11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.962 14.210 -11.847 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.198 -3.981 -3.803 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.687 -4.460 -3.537 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.858 -7.346 -4.395 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.894 -3.488 -4.171 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.732 -0.616 -3.068 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.523 -5.559 -3.979 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.889 -5.578 -3.757 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.382 -6.935 -3.786 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.323 -7.737 -4.023 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.163 -6.885 -4.144 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.306 -9.233 -4.147 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.815 -7.332 -3.583 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.067 -8.116 -2.299 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.113 -9.613 -2.570 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.285 -10.325 -1.961 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.974 -10.016 -3.381 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.712 -5.170 -4.199 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.727 -6.537 -4.415 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.389 -7.018 -4.669 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.565 -5.951 -4.608 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.384 -4.799 -4.315 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.029 -8.450 -4.945 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.076 -5.921 -4.800 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.410 -6.713 -6.010 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.080 -2.340 -3.729 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.704 -2.317 -3.878 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.189 -1.002 -3.575 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.245 -0.229 -3.243 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.424 -1.058 -3.338 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.741 -0.613 -3.632 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.242 1.218 -2.846 1.00 0.00 C HETATM 1633 CBC HEC A 108 -1.999 1.982 -3.294 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.878 -2.771 -3.431 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.857 -1.435 -3.071 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.180 -0.998 -2.693 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.002 -2.061 -2.822 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.195 -3.167 -3.281 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.531 0.392 -2.247 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.477 -2.127 -2.552 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.842 -2.024 -1.074 1.00 0.00 C HETATM 1642 CGD HEC A 108 -9.991 -0.975 -0.371 1.00 0.00 C HETATM 1643 O1D HEC A 108 -8.782 -1.245 -0.204 1.00 0.00 O HETATM 1644 O2D HEC A 108 -10.566 0.076 -0.014 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -7.960 0.642 -1.353 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.291 1.100 -3.040 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.597 0.444 -2.024 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.171 -1.230 -2.938 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.364 -0.762 -4.644 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.635 0.436 -3.356 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.321 -9.069 -4.096 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.552 -8.791 -5.839 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.953 -8.531 -5.101 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.667 -9.679 -3.220 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.951 -9.537 -4.971 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.288 -9.571 -4.340 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.897 -1.768 -0.974 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.702 -2.992 -0.593 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.113 1.526 -2.853 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -1.922 1.947 -4.381 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.073 3.020 -2.969 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.121 -7.758 -5.901 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.039 -6.306 -6.916 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.495 -6.642 -6.079 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.281 -7.898 -1.576 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -11.008 -7.795 -1.852 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -10.972 -1.322 -3.095 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.867 -3.065 -2.948 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.432 -6.434 -3.575 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.138 -7.933 -4.433 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.874 0.441 -2.841 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.821 -3.338 -4.289 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.724 -8.411 -4.587 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.768 -4.595 -3.565 1.00 0.00 H new HETATM 0 H2D HEC A 108 -10.173 0.395 0.825 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.905 -10.989 -3.475 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.303 0.041 8.390 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.578 1.649 10.977 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.397 2.431 6.240 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.807 -1.791 5.946 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.241 -2.424 10.774 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.182 1.662 8.585 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.612 2.228 9.712 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.049 3.519 9.395 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.274 3.739 8.083 1.00 0.00 C HETATM 1686 C4A HEC A 109 -4.979 2.586 7.574 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.885 4.937 7.266 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.351 4.416 10.376 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.232 5.532 10.931 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.585 6.188 12.143 1.00 0.00 C HETATM 1691 O1A HEC A 109 -4.340 6.812 12.920 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.349 6.053 12.270 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.577 0.282 6.516 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.076 1.321 5.749 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.359 1.093 4.352 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.027 -0.076 4.267 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.165 -0.585 5.611 1.00 0.00 C HETATM 1698 CMB HEC A 109 -5.963 2.014 3.235 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.546 -0.757 3.034 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.479 -1.022 1.975 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.364 -1.731 8.398 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.091 -2.197 7.318 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.924 -3.308 7.716 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.705 -3.516 9.032 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.734 -2.536 9.461 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.847 -4.060 6.803 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.328 -4.553 9.920 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.058 -5.990 9.480 1.00 0.00 C HETATM 1709 ND HEC A 109 -5.987 -0.323 10.462 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.443 -1.380 11.229 1.00 0.00 C HETATM 1711 C2D HEC A 109 -5.970 -1.253 12.588 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.232 -0.125 12.648 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.239 0.457 11.327 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.271 -2.221 13.696 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.521 0.452 13.837 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.036 0.104 13.901 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.461 0.409 15.277 1.00 0.00 C HETATM 1718 O1D HEC A 109 -3.184 0.153 16.264 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.309 0.892 15.316 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.349 -2.275 13.849 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -5.893 -3.208 13.430 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.790 -1.884 14.614 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.588 -3.375 6.390 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.272 -4.505 5.991 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.352 -4.847 7.364 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.421 2.991 3.389 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -4.878 2.121 3.219 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.301 1.600 2.285 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.354 5.829 7.682 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.802 5.054 7.286 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.216 4.799 6.237 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.897 -0.952 13.671 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.494 0.669 13.143 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.456 -6.144 8.477 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.984 -6.174 9.476 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.541 -6.679 10.172 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.038 -0.077 1.658 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.703 -1.663 2.393 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -6.933 -1.516 1.116 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.407 6.280 10.158 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.205 5.127 11.209 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.629 1.536 13.821 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.007 0.096 14.746 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.981 3.813 11.205 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.481 4.860 9.892 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.502 -3.209 11.483 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.108 -2.457 5.138 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.173 3.238 5.542 1.00 0.00 H new HETATM 0 HHA HEC A 109 -3.999 2.154 11.750 1.00 0.00 H new HETATM 0 H2D HEC A 109 -1.141 1.265 16.207 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.015 6.699 12.927 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.031 7.535 -6.054 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.789 8.630 -9.417 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.510 7.654 -6.429 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.403 6.157 -2.989 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.354 7.554 -5.855 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.371 8.036 -7.619 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.070 8.467 -8.899 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.283 8.731 -9.637 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.316 8.461 -8.812 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.753 8.028 -7.555 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.784 8.575 -9.102 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.336 9.214 -11.058 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.524 8.101 -12.085 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.665 8.343 -13.318 1.00 0.00 C HETATM 1766 O1A HEC A 110 -3.670 7.601 -13.471 1.00 0.00 O HETATM 1767 O2A HEC A 110 -5.018 9.265 -14.084 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.635 7.062 -4.939 1.00 0.00 N HETATM 1769 C1B HEC A 110 -5.978 7.095 -5.272 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.765 6.461 -4.240 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.907 6.045 -3.285 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.580 6.417 -3.716 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.259 6.315 -4.268 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.225 5.329 -2.005 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.229 4.191 -2.164 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.781 7.085 -4.691 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.079 6.602 -3.428 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.864 6.340 -2.693 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.167 6.661 -3.502 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.399 7.125 -4.747 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.807 5.810 -1.290 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.636 6.569 -3.208 1.00 0.00 C HETATM 1783 CBC HEC A 110 2.014 5.410 -2.291 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.539 8.004 -7.372 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.188 7.932 -7.079 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.595 8.309 -8.232 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.273 8.608 -9.221 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.603 8.419 -8.690 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.095 8.347 -8.276 1.00 0.00 C HETATM 1790 CAD HEC A 110 0.038 9.055 -10.620 1.00 0.00 C HETATM 1791 CBD HEC A 110 0.086 10.570 -10.791 1.00 0.00 C HETATM 1792 CGD HEC A 110 1.151 11.189 -9.897 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.759 11.745 -8.849 1.00 0.00 O HETATM 1794 O2D HEC A 110 2.338 11.094 -10.279 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.463 9.050 -7.529 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.490 7.353 -8.065 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.422 8.665 -9.266 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.318 6.501 -0.619 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.296 4.836 -1.249 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.233 5.707 -0.982 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.720 7.302 -4.313 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.552 5.738 -5.145 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.591 5.800 -3.367 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.025 9.606 -9.362 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.042 7.921 -9.935 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.353 8.281 -8.220 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.294 10.815 -11.833 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.888 10.997 -10.551 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.501 5.520 -1.335 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.720 4.468 -2.754 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.092 5.412 -2.127 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.167 4.586 -2.554 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.832 3.449 -2.857 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.406 3.724 -1.195 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.263 7.142 -11.638 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.573 8.042 -12.375 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.998 8.635 -10.920 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.713 8.647 -11.296 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.153 9.928 -11.158 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.414 9.750 -11.283 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.438 7.593 -5.747 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.481 5.599 -2.056 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.588 7.813 -6.466 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.698 8.943 -10.457 1.00 0.00 H new HETATM 0 H2D HEC A 110 2.896 11.719 -9.771 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.391 9.325 -14.835 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.118 12.021 -0.056 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.292 9.670 1.244 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.804 14.501 1.635 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.716 14.311 -1.005 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.552 9.537 -1.873 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.715 12.068 1.176 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.483 11.000 1.606 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.526 11.458 2.493 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.394 12.797 2.604 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.267 13.181 1.786 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.232 13.745 3.410 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.546 10.573 3.149 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.120 10.039 4.513 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.314 9.504 5.290 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.565 8.285 5.176 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.954 10.324 5.982 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.785 13.981 0.316 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.669 14.861 0.917 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.247 16.224 0.695 1.00 0.00 C HETATM 1846 C3B HEC A 111 -11.114 16.175 -0.036 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.823 14.781 -0.275 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.967 17.439 1.203 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.283 17.323 -0.530 1.00 0.00 C HETATM 1850 CBB HEC A 111 -9.014 17.566 0.283 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.406 11.908 -1.169 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.559 12.944 -1.522 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.592 12.492 -2.495 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.849 11.189 -2.733 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.977 10.820 -1.910 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.519 13.349 -3.101 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.128 10.260 -3.666 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.607 10.375 -3.603 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.403 10.029 -0.317 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.588 9.161 -1.024 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.963 7.793 -0.757 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.000 7.826 0.107 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.277 9.216 0.384 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.295 6.588 -1.353 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.751 6.667 0.694 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.687 5.971 -0.291 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.617 5.004 0.427 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.729 4.789 -0.101 1.00 0.00 O HETATM 1869 O2D HEC A 111 -15.199 4.498 1.491 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.380 6.625 -2.439 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.242 6.579 -1.072 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.777 5.684 -0.981 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.976 14.186 -3.628 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.868 13.728 -2.313 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.932 12.756 -3.802 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.978 17.460 0.796 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -13.015 17.405 2.291 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.432 18.336 0.891 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.267 13.693 3.072 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.180 13.471 4.464 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.858 14.761 3.281 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.275 6.716 -0.827 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.101 5.432 -1.035 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.308 11.390 -3.865 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.266 10.145 -2.593 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.160 9.672 -4.306 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.281 17.784 1.317 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.385 16.676 0.250 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.469 18.411 -0.137 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.383 9.247 4.383 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.637 10.833 5.083 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.035 5.939 1.075 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.333 7.018 1.546 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.476 11.130 3.263 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.758 9.731 2.491 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.159 8.785 -2.557 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.910 15.017 -1.203 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.375 15.297 2.114 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.977 8.929 1.656 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.475 5.055 2.249 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.696 9.866 6.430 1.00 0.00 H new