USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 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 17 HIS HE2 : A 17 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 27 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAC : A 102 HEC CAC : A 54 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAB : A 102 HEC CAB : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAC : A 103 HEC CAC : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAB : A 103 HEC CAB : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -125:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.8!) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= -3.07! (180deg=-3.54!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.143 (180deg=-0.908) USER MOD Single : A 45 MET CE :methyl -173:sc= -0.629 (180deg=-0.724) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.0148 (180deg=-0.244) USER MOD Single : A 60 LYS NZ :NH3+ -122:sc= -0.888 (180deg=-2.93!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.0202 (180deg=-0.314) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEC O2A : rot 165:sc= -0.0088 USER MOD Single : A 101 HEC O2D : rot 161:sc= -0.0822 USER MOD Single : A 102 HEC O2A : rot 165:sc= 0 USER MOD Single : A 102 HEC O2D : rot 165:sc= -0.0163 USER MOD Single : A 103 HEC O2A : rot 165:sc= -1.1 USER MOD Single : A 103 HEC O2D : rot 31:sc= 0.516 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.922 1.325 1.398 1.00 1.00 N ATOM 2 CA ALA A 1 3.704 1.333 0.174 1.00 1.00 C ATOM 3 C ALA A 1 3.278 2.520 -0.692 1.00 1.00 C ATOM 4 O ALA A 1 4.081 3.407 -0.974 1.00 1.00 O ATOM 5 CB ALA A 1 3.537 -0.006 -0.548 1.00 1.00 C ATOM 0 H1 ALA A 1 3.210 0.519 1.989 1.00 1.00 H new ATOM 0 H2 ALA A 1 3.083 2.211 1.919 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.912 1.240 1.164 1.00 1.00 H new ATOM 0 HA ALA A 1 4.764 1.453 0.397 1.00 1.00 H new ATOM 0 HB1 ALA A 1 4.124 0.000 -1.466 1.00 1.00 H new ATOM 0 HB2 ALA A 1 3.882 -0.813 0.098 1.00 1.00 H new ATOM 0 HB3 ALA A 1 2.486 -0.160 -0.790 1.00 1.00 H new ATOM 11 N ASP A 2 2.014 2.497 -1.089 1.00 1.00 N ATOM 12 CA ASP A 2 1.470 3.561 -1.917 1.00 1.00 C ATOM 13 C ASP A 2 -0.054 3.574 -1.786 1.00 1.00 C ATOM 14 O ASP A 2 -0.638 4.582 -1.390 1.00 1.00 O ATOM 15 CB ASP A 2 1.817 3.343 -3.391 1.00 1.00 C ATOM 16 CG ASP A 2 1.616 1.913 -3.898 1.00 1.00 C ATOM 17 OD1 ASP A 2 1.920 0.938 -3.194 1.00 1.00 O ATOM 18 OD2 ASP A 2 1.120 1.820 -5.085 1.00 1.00 O ATOM 0 H ASP A 2 1.351 1.759 -0.853 1.00 1.00 H new ATOM 0 HA ASP A 2 1.901 4.504 -1.581 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.208 4.016 -3.995 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.858 3.626 -3.549 1.00 1.00 H new ATOM 24 N ASP A 3 -0.655 2.444 -2.127 1.00 1.00 N ATOM 25 CA ASP A 3 -2.101 2.313 -2.053 1.00 1.00 C ATOM 26 C ASP A 3 -2.472 1.513 -0.804 1.00 1.00 C ATOM 27 O ASP A 3 -1.927 0.436 -0.566 1.00 1.00 O ATOM 28 CB ASP A 3 -2.649 1.569 -3.272 1.00 1.00 C ATOM 29 CG ASP A 3 -2.279 2.182 -4.624 1.00 1.00 C ATOM 30 OD1 ASP A 3 -1.888 1.471 -5.562 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.407 3.464 -4.696 1.00 1.00 O ATOM 0 H ASP A 3 -0.167 1.610 -2.455 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.530 3.315 -2.019 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.287 0.541 -3.245 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.735 1.526 -3.195 1.00 1.00 H new ATOM 37 N ILE A 4 -3.399 2.070 -0.037 1.00 1.00 N ATOM 38 CA ILE A 4 -3.850 1.421 1.182 1.00 1.00 C ATOM 39 C ILE A 4 -5.334 1.073 1.050 1.00 1.00 C ATOM 40 O ILE A 4 -6.186 1.960 1.060 1.00 1.00 O ATOM 41 CB ILE A 4 -3.527 2.288 2.401 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.036 2.629 2.452 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.007 1.620 3.691 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.611 3.016 3.870 1.00 1.00 C ATOM 0 H ILE A 4 -3.849 2.963 -0.237 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.315 0.484 1.336 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.069 3.229 2.305 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.452 1.773 2.114 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.823 3.450 1.768 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.765 2.257 4.542 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.086 1.471 3.644 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.512 0.656 3.807 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.547 3.254 3.879 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.180 3.887 4.195 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.803 2.184 4.547 1.00 1.00 H new ATOM 51 N VAL A 5 -5.598 -0.220 0.932 1.00 1.00 N ATOM 52 CA VAL A 5 -6.964 -0.696 0.798 1.00 1.00 C ATOM 53 C VAL A 5 -7.574 -0.877 2.189 1.00 1.00 C ATOM 54 O VAL A 5 -7.033 -1.606 3.019 1.00 1.00 O ATOM 55 CB VAL A 5 -6.993 -1.976 -0.039 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.391 -2.599 -0.041 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.509 -1.710 -1.465 1.00 1.00 C ATOM 0 H VAL A 5 -4.889 -0.953 0.926 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.573 0.036 0.268 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.309 -2.691 0.419 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.384 -3.507 -0.643 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.682 -2.843 0.981 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.104 -1.891 -0.462 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.540 -2.636 -2.038 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.155 -0.970 -1.937 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.486 -1.334 -1.438 1.00 1.00 H new ATOM 63 N LEU A 6 -8.694 -0.201 2.402 1.00 1.00 N ATOM 64 CA LEU A 6 -9.384 -0.278 3.679 1.00 1.00 C ATOM 65 C LEU A 6 -10.625 -1.161 3.531 1.00 1.00 C ATOM 66 O LEU A 6 -11.740 -0.655 3.413 1.00 1.00 O ATOM 67 CB LEU A 6 -9.687 1.125 4.210 1.00 1.00 C ATOM 68 CG LEU A 6 -8.513 2.106 4.220 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.007 3.552 4.141 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.614 1.873 5.435 1.00 1.00 C ATOM 0 H LEU A 6 -9.141 0.403 1.712 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.746 -0.747 4.429 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.488 1.554 3.609 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.066 1.033 5.228 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.907 1.923 3.332 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.153 4.229 4.150 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.573 3.693 3.220 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.648 3.765 4.997 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.788 2.583 5.418 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.193 2.012 6.348 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.220 0.857 5.407 1.00 1.00 H new ATOM 78 N LYS A 7 -10.389 -2.464 3.541 1.00 1.00 N ATOM 79 CA LYS A 7 -11.473 -3.422 3.409 1.00 1.00 C ATOM 80 C LYS A 7 -12.704 -2.899 4.154 1.00 1.00 C ATOM 81 O LYS A 7 -12.638 -2.621 5.350 1.00 1.00 O ATOM 82 CB LYS A 7 -11.022 -4.810 3.868 1.00 1.00 C ATOM 83 CG LYS A 7 -9.929 -5.363 2.950 1.00 1.00 C ATOM 84 CD LYS A 7 -10.035 -6.883 2.824 1.00 1.00 C ATOM 85 CE LYS A 7 -9.947 -7.320 1.361 1.00 1.00 C ATOM 86 NZ LYS A 7 -9.219 -8.604 1.247 1.00 1.00 N ATOM 0 H LYS A 7 -9.462 -2.879 3.639 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.756 -3.534 2.362 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.650 -4.755 4.891 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.874 -5.489 3.875 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.012 -4.906 1.964 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.949 -5.095 3.344 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -9.237 -7.355 3.397 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.978 -7.222 3.252 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.949 -7.425 0.946 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.438 -6.554 0.776 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -9.168 -8.887 0.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -8.256 -8.492 1.625 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -9.720 -9.337 1.789 1.00 1.00 H new ATOM 99 N ALA A 8 -13.797 -2.780 3.414 1.00 1.00 N ATOM 100 CA ALA A 8 -15.040 -2.295 3.989 1.00 1.00 C ATOM 101 C ALA A 8 -16.172 -3.261 3.635 1.00 1.00 C ATOM 102 O ALA A 8 -16.086 -3.988 2.646 1.00 1.00 O ATOM 103 CB ALA A 8 -15.312 -0.873 3.494 1.00 1.00 C ATOM 0 H ALA A 8 -13.847 -3.011 2.422 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.969 -2.254 5.076 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.245 -0.510 3.926 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.493 -0.220 3.796 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.392 -0.875 2.407 1.00 1.00 H new ATOM 109 N LYS A 9 -17.207 -3.239 4.463 1.00 1.00 N ATOM 110 CA LYS A 9 -18.354 -4.104 4.249 1.00 1.00 C ATOM 111 C LYS A 9 -19.231 -3.518 3.141 1.00 1.00 C ATOM 112 O LYS A 9 -19.849 -4.257 2.376 1.00 1.00 O ATOM 113 CB LYS A 9 -19.100 -4.339 5.565 1.00 1.00 C ATOM 114 CG LYS A 9 -20.055 -5.530 5.449 1.00 1.00 C ATOM 115 CD LYS A 9 -21.280 -5.339 6.344 1.00 1.00 C ATOM 116 CE LYS A 9 -20.991 -5.797 7.775 1.00 1.00 C ATOM 117 NZ LYS A 9 -21.541 -4.829 8.750 1.00 1.00 N ATOM 0 H LYS A 9 -17.275 -2.636 5.283 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.031 -5.089 3.912 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.383 -4.520 6.366 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.660 -3.444 5.834 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.372 -5.647 4.413 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -19.535 -6.446 5.729 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -21.573 -4.289 6.347 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -22.121 -5.903 5.941 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -21.429 -6.781 7.944 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -19.915 -5.898 7.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -21.336 -5.155 9.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -21.104 -3.898 8.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -22.570 -4.753 8.621 1.00 1.00 H new ATOM 130 N ASN A 10 -19.257 -2.194 3.090 1.00 1.00 N ATOM 131 CA ASN A 10 -20.048 -1.499 2.088 1.00 1.00 C ATOM 132 C ASN A 10 -19.113 -0.847 1.069 1.00 1.00 C ATOM 133 O ASN A 10 -19.007 0.378 1.014 1.00 1.00 O ATOM 134 CB ASN A 10 -20.898 -0.397 2.724 1.00 1.00 C ATOM 135 CG ASN A 10 -21.363 0.612 1.673 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.409 0.335 0.485 1.00 1.00 O ATOM 137 ND2 ASN A 10 -21.703 1.796 2.173 1.00 1.00 N ATOM 0 H ASN A 10 -18.743 -1.584 3.726 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.702 -2.228 1.610 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.764 -0.839 3.217 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.320 0.114 3.494 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.026 2.538 1.552 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -21.641 1.962 3.177 1.00 1.00 H new ATOM 143 N GLY A 11 -18.458 -1.692 0.287 1.00 1.00 N ATOM 144 CA GLY A 11 -17.534 -1.213 -0.726 1.00 1.00 C ATOM 145 C GLY A 11 -16.169 -0.891 -0.117 1.00 1.00 C ATOM 146 O GLY A 11 -16.088 -0.374 0.996 1.00 1.00 O ATOM 0 H GLY A 11 -18.549 -2.707 0.335 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.420 -1.967 -1.504 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.942 -0.322 -1.203 1.00 1.00 H new ATOM 150 N ASP A 12 -15.128 -1.210 -0.873 1.00 1.00 N ATOM 151 CA ASP A 12 -13.770 -0.961 -0.421 1.00 1.00 C ATOM 152 C ASP A 12 -13.431 0.517 -0.629 1.00 1.00 C ATOM 153 O ASP A 12 -14.206 1.256 -1.231 1.00 1.00 O ATOM 154 CB ASP A 12 -12.763 -1.794 -1.218 1.00 1.00 C ATOM 155 CG ASP A 12 -13.298 -3.129 -1.739 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.393 -3.347 -2.956 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.627 -3.978 -0.826 1.00 1.00 O ATOM 0 H ASP A 12 -15.198 -1.639 -1.796 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.710 -1.233 0.633 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.415 -1.203 -2.066 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.895 -1.988 -0.588 1.00 1.00 H new ATOM 163 N VAL A 13 -12.272 0.902 -0.115 1.00 1.00 N ATOM 164 CA VAL A 13 -11.820 2.278 -0.236 1.00 1.00 C ATOM 165 C VAL A 13 -10.388 2.295 -0.773 1.00 1.00 C ATOM 166 O VAL A 13 -9.459 1.875 -0.087 1.00 1.00 O ATOM 167 CB VAL A 13 -11.963 2.995 1.108 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.408 4.419 1.031 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.420 2.999 1.575 1.00 1.00 C ATOM 0 H VAL A 13 -11.632 0.285 0.386 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.440 2.823 -0.948 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.377 2.446 1.845 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.522 4.907 1.999 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.352 4.384 0.764 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.955 4.982 0.275 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.494 3.515 2.532 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.037 3.513 0.838 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.769 1.972 1.688 1.00 1.00 H new ATOM 175 N LYS A 14 -10.255 2.786 -1.997 1.00 1.00 N ATOM 176 CA LYS A 14 -8.953 2.862 -2.635 1.00 1.00 C ATOM 177 C LYS A 14 -8.301 4.203 -2.292 1.00 1.00 C ATOM 178 O LYS A 14 -8.477 5.186 -3.012 1.00 1.00 O ATOM 179 CB LYS A 14 -9.075 2.605 -4.138 1.00 1.00 C ATOM 180 CG LYS A 14 -7.828 3.090 -4.881 1.00 1.00 C ATOM 181 CD LYS A 14 -6.564 2.440 -4.314 1.00 1.00 C ATOM 182 CE LYS A 14 -5.322 3.260 -4.667 1.00 1.00 C ATOM 183 NZ LYS A 14 -4.629 2.673 -5.835 1.00 1.00 N ATOM 0 H LYS A 14 -11.028 3.135 -2.563 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.297 2.079 -2.255 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.218 1.540 -4.318 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.956 3.115 -4.527 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.918 2.855 -5.942 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.751 4.174 -4.800 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -6.650 2.352 -3.231 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -6.462 1.429 -4.709 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -5.608 4.289 -4.886 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -4.645 3.292 -3.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.712 3.146 -5.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -4.475 1.657 -5.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.212 2.803 -6.686 1.00 1.00 H new ATOM 196 N PHE A 15 -7.561 4.202 -1.193 1.00 1.00 N ATOM 197 CA PHE A 15 -6.882 5.406 -0.746 1.00 1.00 C ATOM 198 C PHE A 15 -5.390 5.352 -1.081 1.00 1.00 C ATOM 199 O PHE A 15 -4.646 4.497 -0.607 1.00 1.00 O ATOM 200 CB PHE A 15 -7.049 5.476 0.774 1.00 1.00 C ATOM 201 CG PHE A 15 -6.548 6.782 1.395 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.899 7.975 0.845 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.752 6.749 2.497 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.435 9.186 1.422 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.287 7.960 3.074 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.638 9.154 2.524 1.00 1.00 C ATOM 0 H PHE A 15 -7.417 3.386 -0.599 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.307 6.278 -1.243 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.103 5.350 1.020 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.514 4.641 1.227 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.531 8.001 -0.031 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.473 5.801 2.933 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.715 10.134 0.986 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.655 7.933 3.949 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.284 10.076 2.962 1.00 1.00 H new ATOM 216 N PRO A 16 -4.966 6.297 -1.923 1.00 1.00 N ATOM 217 CA PRO A 16 -3.598 6.434 -2.374 1.00 1.00 C ATOM 218 C PRO A 16 -2.811 7.266 -1.373 1.00 1.00 C ATOM 219 O PRO A 16 -2.767 8.487 -1.509 1.00 1.00 O ATOM 220 CB PRO A 16 -3.699 7.149 -3.719 1.00 1.00 C ATOM 221 CG PRO A 16 -4.933 8.033 -3.520 1.00 1.00 C ATOM 222 CD PRO A 16 -5.815 7.317 -2.500 1.00 1.00 C ATOM 0 HA PRO A 16 -3.084 5.477 -2.466 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.807 7.737 -3.936 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.828 6.449 -4.544 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.649 9.022 -3.161 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.464 8.176 -4.461 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.177 8.007 -1.738 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.692 6.878 -2.975 1.00 1.00 H new ATOM 230 N HIS A 17 -2.207 6.602 -0.387 1.00 1.00 N ATOM 231 CA HIS A 17 -1.419 7.263 0.648 1.00 1.00 C ATOM 232 C HIS A 17 -0.265 8.050 0.000 1.00 1.00 C ATOM 233 O HIS A 17 -0.159 9.260 0.192 1.00 1.00 O ATOM 234 CB HIS A 17 -0.970 6.214 1.677 1.00 1.00 C ATOM 235 CG HIS A 17 -0.334 6.736 2.945 1.00 1.00 C ATOM 236 ND1 HIS A 17 0.990 6.832 3.099 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.890 7.187 4.118 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.249 7.324 4.320 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.124 7.561 4.992 1.00 1.00 N ATOM 0 H HIS A 17 -2.252 5.588 -0.285 1.00 1.00 H new ATOM 0 HA HIS A 17 -2.011 8.000 1.191 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.838 5.615 1.953 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.261 5.543 1.192 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.689 6.574 2.403 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.948 7.242 4.328 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.241 7.504 4.707 1.00 1.00 H new ATOM 247 N LYS A 18 0.560 7.332 -0.747 1.00 1.00 N ATOM 248 CA LYS A 18 1.692 7.952 -1.417 1.00 1.00 C ATOM 249 C LYS A 18 1.241 9.262 -2.064 1.00 1.00 C ATOM 250 O LYS A 18 1.989 10.238 -2.084 1.00 1.00 O ATOM 251 CB LYS A 18 2.334 6.970 -2.400 1.00 1.00 C ATOM 252 CG LYS A 18 2.959 7.710 -3.584 1.00 1.00 C ATOM 253 CD LYS A 18 4.147 6.931 -4.152 1.00 1.00 C ATOM 254 CE LYS A 18 4.341 7.234 -5.640 1.00 1.00 C ATOM 255 NZ LYS A 18 3.831 6.119 -6.467 1.00 1.00 N ATOM 0 H LYS A 18 0.468 6.328 -0.904 1.00 1.00 H new ATOM 0 HA LYS A 18 2.471 8.204 -0.697 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.098 6.385 -1.888 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.583 6.268 -2.761 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.210 7.856 -4.362 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.287 8.700 -3.267 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.052 7.191 -3.603 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.985 5.862 -4.013 1.00 1.00 H new ATOM 0 HE2 LYS A 18 3.820 8.155 -5.900 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.398 7.396 -5.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.971 6.341 -7.473 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.346 5.247 -6.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.817 5.983 -6.280 1.00 1.00 H new ATOM 268 N ALA A 19 0.019 9.243 -2.576 1.00 1.00 N ATOM 269 CA ALA A 19 -0.540 10.418 -3.222 1.00 1.00 C ATOM 270 C ALA A 19 -0.807 11.495 -2.169 1.00 1.00 C ATOM 271 O ALA A 19 -0.676 12.687 -2.439 1.00 1.00 O ATOM 272 CB ALA A 19 -1.805 10.026 -3.990 1.00 1.00 C ATOM 0 H ALA A 19 -0.600 8.432 -2.556 1.00 1.00 H new ATOM 0 HA ALA A 19 0.165 10.831 -3.944 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.224 10.908 -4.475 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.556 9.281 -4.745 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.537 9.610 -3.298 1.00 1.00 H new ATOM 278 N HIS A 20 -1.182 11.035 -0.975 1.00 1.00 N ATOM 279 CA HIS A 20 -1.478 11.910 0.153 1.00 1.00 C ATOM 280 C HIS A 20 -0.185 12.216 0.930 1.00 1.00 C ATOM 281 O HIS A 20 -0.242 12.620 2.091 1.00 1.00 O ATOM 282 CB HIS A 20 -2.588 11.269 1.001 1.00 1.00 C ATOM 283 CG HIS A 20 -4.012 11.560 0.588 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.529 11.131 -0.567 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.016 12.255 1.221 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.804 11.543 -0.651 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.156 12.242 0.426 1.00 1.00 N ATOM 0 H HIS A 20 -1.288 10.042 -0.765 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.857 12.876 -0.181 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.444 10.189 0.989 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.460 11.596 2.033 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.036 10.581 -1.270 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.932 12.735 2.185 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.459 11.334 -1.484 1.00 1.00 H new ATOM 295 N GLN A 21 0.939 12.013 0.259 1.00 1.00 N ATOM 296 CA GLN A 21 2.232 12.265 0.874 1.00 1.00 C ATOM 297 C GLN A 21 2.891 13.493 0.243 1.00 1.00 C ATOM 298 O GLN A 21 4.030 13.825 0.565 1.00 1.00 O ATOM 299 CB GLN A 21 3.141 11.038 0.762 1.00 1.00 C ATOM 300 CG GLN A 21 4.007 11.110 -0.497 1.00 1.00 C ATOM 301 CD GLN A 21 5.345 11.791 -0.203 1.00 1.00 C ATOM 302 OE1 GLN A 21 5.807 11.847 0.925 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.939 12.303 -1.277 1.00 1.00 N ATOM 0 H GLN A 21 0.982 11.677 -0.703 1.00 1.00 H new ATOM 0 HA GLN A 21 2.074 12.466 1.934 1.00 1.00 H new ATOM 0 HB2 GLN A 21 3.779 10.972 1.643 1.00 1.00 H new ATOM 0 HB3 GLN A 21 2.535 10.133 0.739 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.183 10.105 -0.880 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.478 11.660 -1.276 1.00 1.00 H new ATOM 0 HE21 GLN A 21 5.497 12.221 -2.192 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.837 12.778 -1.185 1.00 1.00 H new ATOM 311 N LYS A 22 2.144 14.134 -0.645 1.00 1.00 N ATOM 312 CA LYS A 22 2.641 15.319 -1.323 1.00 1.00 C ATOM 313 C LYS A 22 1.508 16.339 -1.456 1.00 1.00 C ATOM 314 O LYS A 22 1.588 17.258 -2.269 1.00 1.00 O ATOM 315 CB LYS A 22 3.288 14.941 -2.657 1.00 1.00 C ATOM 316 CG LYS A 22 4.216 16.052 -3.152 1.00 1.00 C ATOM 317 CD LYS A 22 4.217 16.127 -4.680 1.00 1.00 C ATOM 318 CE LYS A 22 5.200 17.189 -5.176 1.00 1.00 C ATOM 319 NZ LYS A 22 4.790 17.692 -6.506 1.00 1.00 N ATOM 0 H LYS A 22 1.199 13.855 -0.910 1.00 1.00 H new ATOM 0 HA LYS A 22 3.428 15.792 -0.736 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.852 14.016 -2.542 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.513 14.752 -3.400 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.897 17.008 -2.738 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.229 15.871 -2.793 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.486 15.156 -5.095 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.214 16.360 -5.037 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.242 18.014 -4.465 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.203 16.766 -5.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 5.467 18.412 -6.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.772 16.904 -7.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.842 18.114 -6.440 1.00 1.00 H new ATOM 332 N ALA A 23 0.479 16.141 -0.646 1.00 1.00 N ATOM 333 CA ALA A 23 -0.669 17.031 -0.663 1.00 1.00 C ATOM 334 C ALA A 23 -0.801 17.713 0.700 1.00 1.00 C ATOM 335 O ALA A 23 -1.810 18.359 0.981 1.00 1.00 O ATOM 336 CB ALA A 23 -1.923 16.241 -1.042 1.00 1.00 C ATOM 0 H ALA A 23 0.416 15.377 0.027 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.537 17.812 -1.412 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.784 16.909 -1.055 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.791 15.801 -2.030 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.089 15.449 -0.311 1.00 1.00 H new ATOM 342 N VAL A 24 0.234 17.547 1.512 1.00 1.00 N ATOM 343 CA VAL A 24 0.246 18.138 2.839 1.00 1.00 C ATOM 344 C VAL A 24 1.624 18.749 3.107 1.00 1.00 C ATOM 345 O VAL A 24 2.515 18.122 3.675 1.00 1.00 O ATOM 346 CB VAL A 24 -0.158 17.094 3.881 1.00 1.00 C ATOM 347 CG1 VAL A 24 -1.109 17.694 4.919 1.00 1.00 C ATOM 348 CG2 VAL A 24 -0.779 15.865 3.214 1.00 1.00 C ATOM 0 H VAL A 24 1.070 17.012 1.276 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.486 18.943 2.906 1.00 1.00 H new ATOM 0 HB VAL A 24 0.745 16.773 4.400 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.381 16.930 5.648 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.616 18.523 5.428 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.008 18.057 4.422 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.057 15.138 3.977 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.667 16.163 2.656 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.056 15.417 2.533 1.00 1.00 H new ATOM 354 N PRO A 25 1.778 20.004 2.679 1.00 1.00 N ATOM 355 CA PRO A 25 2.993 20.773 2.829 1.00 1.00 C ATOM 356 C PRO A 25 3.689 20.382 4.125 1.00 1.00 C ATOM 357 O PRO A 25 4.900 20.168 4.108 1.00 1.00 O ATOM 358 CB PRO A 25 2.532 22.229 2.872 1.00 1.00 C ATOM 359 CG PRO A 25 1.351 22.161 1.824 1.00 1.00 C ATOM 360 CD PRO A 25 0.749 20.770 2.008 1.00 1.00 C ATOM 0 HA PRO A 25 3.705 20.602 2.022 1.00 1.00 H new ATOM 0 HB2 PRO A 25 2.195 22.532 3.863 1.00 1.00 H new ATOM 0 HB3 PRO A 25 3.316 22.925 2.575 1.00 1.00 H new ATOM 0 HG2 PRO A 25 0.612 22.940 2.010 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.716 22.303 0.807 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -0.164 20.810 2.602 1.00 1.00 H new ATOM 0 HD3 PRO A 25 0.486 20.323 1.049 1.00 1.00 H new ATOM 368 N ASP A 26 2.927 20.299 5.206 1.00 1.00 N ATOM 369 CA ASP A 26 3.493 19.935 6.494 1.00 1.00 C ATOM 370 C ASP A 26 2.754 18.713 7.043 1.00 1.00 C ATOM 371 O ASP A 26 1.657 18.838 7.584 1.00 1.00 O ATOM 372 CB ASP A 26 3.340 21.074 7.505 1.00 1.00 C ATOM 373 CG ASP A 26 2.190 22.042 7.219 1.00 1.00 C ATOM 374 OD1 ASP A 26 1.112 21.635 6.761 1.00 1.00 O ATOM 375 OD2 ASP A 26 2.439 23.279 7.489 1.00 1.00 O ATOM 0 H ASP A 26 1.923 20.478 5.216 1.00 1.00 H new ATOM 0 HA ASP A 26 4.552 19.722 6.349 1.00 1.00 H new ATOM 0 HB2 ASP A 26 3.195 20.643 8.496 1.00 1.00 H new ATOM 0 HB3 ASP A 26 4.271 21.639 7.537 1.00 1.00 H new ATOM 381 N CYS A 27 3.385 17.559 6.884 1.00 1.00 N ATOM 382 CA CYS A 27 2.802 16.316 7.358 1.00 1.00 C ATOM 383 C CYS A 27 2.418 16.493 8.828 1.00 1.00 C ATOM 384 O CYS A 27 2.512 17.594 9.368 1.00 1.00 O ATOM 385 CB CYS A 27 3.751 15.133 7.154 1.00 1.00 C ATOM 386 SG CYS A 27 2.937 13.574 6.647 1.00 1.00 S ATOM 0 H CYS A 27 4.295 17.459 6.433 1.00 1.00 H new ATOM 0 HA CYS A 27 1.909 16.086 6.777 1.00 1.00 H new ATOM 0 HB2 CYS A 27 4.489 15.403 6.399 1.00 1.00 H new ATOM 0 HB3 CYS A 27 4.295 14.957 8.082 1.00 1.00 H new ATOM 391 N LYS A 28 1.994 15.395 9.433 1.00 1.00 N ATOM 392 CA LYS A 28 1.594 15.415 10.829 1.00 1.00 C ATOM 393 C LYS A 28 0.265 16.162 10.965 1.00 1.00 C ATOM 394 O LYS A 28 -0.099 16.595 12.057 1.00 1.00 O ATOM 395 CB LYS A 28 2.715 15.992 11.698 1.00 1.00 C ATOM 396 CG LYS A 28 4.025 15.233 11.477 1.00 1.00 C ATOM 397 CD LYS A 28 5.203 16.201 11.346 1.00 1.00 C ATOM 398 CE LYS A 28 5.653 16.706 12.718 1.00 1.00 C ATOM 399 NZ LYS A 28 6.851 17.565 12.587 1.00 1.00 N ATOM 0 H LYS A 28 1.918 14.484 8.981 1.00 1.00 H new ATOM 0 HA LYS A 28 1.428 14.401 11.192 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.857 17.047 11.462 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.431 15.936 12.749 1.00 1.00 H new ATOM 0 HG2 LYS A 28 4.200 14.552 12.310 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.949 14.623 10.577 1.00 1.00 H new ATOM 0 HD2 LYS A 28 6.034 15.702 10.848 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.916 17.046 10.720 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.846 17.267 13.188 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.874 15.860 13.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.143 17.899 13.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 7.625 17.018 12.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.628 18.382 11.983 1.00 1.00 H new ATOM 412 N LYS A 29 -0.422 16.290 9.839 1.00 1.00 N ATOM 413 CA LYS A 29 -1.702 16.976 9.818 1.00 1.00 C ATOM 414 C LYS A 29 -2.786 16.041 10.358 1.00 1.00 C ATOM 415 O LYS A 29 -3.596 16.441 11.193 1.00 1.00 O ATOM 416 CB LYS A 29 -1.997 17.517 8.418 1.00 1.00 C ATOM 417 CG LYS A 29 -3.336 18.256 8.387 1.00 1.00 C ATOM 418 CD LYS A 29 -3.481 19.074 7.102 1.00 1.00 C ATOM 419 CE LYS A 29 -2.605 20.328 7.149 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.359 21.467 7.717 1.00 1.00 N ATOM 0 H LYS A 29 -0.116 15.930 8.935 1.00 1.00 H new ATOM 0 HA LYS A 29 -1.678 17.847 10.472 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.198 18.191 8.109 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.015 16.695 7.703 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.153 17.538 8.460 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.412 18.915 9.252 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.202 18.463 6.244 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.524 19.359 6.964 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.717 20.136 7.751 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.262 20.576 6.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.334 22.266 7.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.346 21.183 7.881 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -2.927 21.754 8.619 1.00 1.00 H new ATOM 433 N CYS A 30 -2.767 14.814 9.859 1.00 1.00 N ATOM 434 CA CYS A 30 -3.738 13.820 10.280 1.00 1.00 C ATOM 435 C CYS A 30 -3.145 13.034 11.452 1.00 1.00 C ATOM 436 O CYS A 30 -3.762 12.917 12.508 1.00 1.00 O ATOM 437 CB CYS A 30 -4.144 12.900 9.125 1.00 1.00 C ATOM 438 SG CYS A 30 -3.845 13.737 7.525 1.00 1.00 S ATOM 0 H CYS A 30 -2.094 14.486 9.167 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.653 14.317 10.602 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.575 11.971 9.171 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.197 12.633 9.214 1.00 1.00 H new ATOM 443 N HIS A 31 -1.939 12.510 11.226 1.00 1.00 N ATOM 444 CA HIS A 31 -1.216 11.731 12.224 1.00 1.00 C ATOM 445 C HIS A 31 -0.935 12.602 13.462 1.00 1.00 C ATOM 446 O HIS A 31 -1.308 12.235 14.575 1.00 1.00 O ATOM 447 CB HIS A 31 0.041 11.134 11.574 1.00 1.00 C ATOM 448 CG HIS A 31 -0.178 10.070 10.523 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.781 8.908 10.790 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.148 10.033 9.188 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.829 8.175 9.667 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.268 8.824 8.647 1.00 1.00 N ATOM 0 H HIS A 31 -1.438 12.616 10.344 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.812 10.892 12.582 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.609 11.947 11.122 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.663 10.710 12.362 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -1.146 8.624 11.699 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.649 10.821 8.645 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.265 7.189 9.599 1.00 1.00 H new ATOM 460 N GLU A 32 -0.285 13.732 13.224 1.00 1.00 N ATOM 461 CA GLU A 32 0.043 14.649 14.304 1.00 1.00 C ATOM 462 C GLU A 32 1.092 14.026 15.227 1.00 1.00 C ATOM 463 O GLU A 32 2.226 14.498 15.291 1.00 1.00 O ATOM 464 CB GLU A 32 -1.210 15.045 15.087 1.00 1.00 C ATOM 465 CG GLU A 32 -1.060 16.443 15.690 1.00 1.00 C ATOM 466 CD GLU A 32 -2.404 16.967 16.202 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.299 16.169 16.520 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.500 18.251 16.264 1.00 1.00 O ATOM 0 H GLU A 32 0.023 14.034 12.300 1.00 1.00 H new ATOM 0 HA GLU A 32 0.461 15.557 13.870 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.078 15.020 14.428 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.392 14.320 15.881 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.341 16.414 16.509 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -0.662 17.126 14.940 1.00 1.00 H new ATOM 476 N LYS A 33 0.676 12.977 15.920 1.00 1.00 N ATOM 477 CA LYS A 33 1.566 12.285 16.837 1.00 1.00 C ATOM 478 C LYS A 33 2.645 11.550 16.038 1.00 1.00 C ATOM 479 O LYS A 33 3.787 12.002 15.970 1.00 1.00 O ATOM 480 CB LYS A 33 0.769 11.376 17.774 1.00 1.00 C ATOM 481 CG LYS A 33 1.643 10.240 18.311 1.00 1.00 C ATOM 482 CD LYS A 33 1.388 10.009 19.802 1.00 1.00 C ATOM 483 CE LYS A 33 2.582 10.469 20.640 1.00 1.00 C ATOM 484 NZ LYS A 33 2.360 10.161 22.071 1.00 1.00 N ATOM 0 H LYS A 33 -0.266 12.589 15.865 1.00 1.00 H new ATOM 0 HA LYS A 33 2.078 12.999 17.482 1.00 1.00 H new ATOM 0 HB2 LYS A 33 0.375 11.961 18.605 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -0.087 10.961 17.242 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.436 9.324 17.757 1.00 1.00 H new ATOM 0 HG3 LYS A 33 2.694 10.479 18.151 1.00 1.00 H new ATOM 0 HD2 LYS A 33 0.493 10.550 20.110 1.00 1.00 H new ATOM 0 HD3 LYS A 33 1.199 8.951 19.983 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.490 9.976 20.292 1.00 1.00 H new ATOM 0 HE3 LYS A 33 2.733 11.541 20.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 3.180 10.480 22.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 1.505 10.652 22.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 2.239 9.135 22.191 1.00 1.00 H new ATOM 497 N GLY A 34 2.244 10.431 15.454 1.00 1.00 N ATOM 498 CA GLY A 34 3.163 9.631 14.663 1.00 1.00 C ATOM 499 C GLY A 34 2.402 8.696 13.719 1.00 1.00 C ATOM 500 O GLY A 34 1.177 8.720 13.624 1.00 1.00 O ATOM 0 H GLY A 34 1.296 10.060 15.513 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.816 10.285 14.085 1.00 1.00 H new ATOM 0 HA3 GLY A 34 3.803 9.045 15.323 1.00 1.00 H new ATOM 504 N PRO A 35 3.168 7.863 13.011 1.00 1.00 N ATOM 505 CA PRO A 35 2.661 6.896 12.061 1.00 1.00 C ATOM 506 C PRO A 35 1.942 5.779 12.805 1.00 1.00 C ATOM 507 O PRO A 35 1.548 5.987 13.951 1.00 1.00 O ATOM 508 CB PRO A 35 3.899 6.366 11.342 1.00 1.00 C ATOM 509 CG PRO A 35 4.991 6.452 12.508 1.00 1.00 C ATOM 510 CD PRO A 35 4.612 7.810 13.096 1.00 1.00 C ATOM 0 HA PRO A 35 1.945 7.325 11.360 1.00 1.00 H new ATOM 0 HB2 PRO A 35 3.761 5.347 10.981 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.168 6.976 10.480 1.00 1.00 H new ATOM 0 HG2 PRO A 35 4.900 5.641 13.230 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.013 6.428 12.130 1.00 1.00 H new ATOM 0 HD2 PRO A 35 4.951 7.902 14.128 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.071 8.625 12.536 1.00 1.00 H new ATOM 518 N GLY A 36 1.785 4.638 12.152 1.00 1.00 N ATOM 519 CA GLY A 36 1.111 3.508 12.771 1.00 1.00 C ATOM 520 C GLY A 36 -0.396 3.757 12.871 1.00 1.00 C ATOM 521 O GLY A 36 -0.852 4.891 12.731 1.00 1.00 O ATOM 0 H GLY A 36 2.112 4.471 11.201 1.00 1.00 H new ATOM 0 HA2 GLY A 36 1.296 2.606 12.188 1.00 1.00 H new ATOM 0 HA3 GLY A 36 1.522 3.335 13.766 1.00 1.00 H new ATOM 525 N LYS A 37 -1.127 2.679 13.113 1.00 1.00 N ATOM 526 CA LYS A 37 -2.571 2.766 13.233 1.00 1.00 C ATOM 527 C LYS A 37 -2.939 4.032 14.009 1.00 1.00 C ATOM 528 O LYS A 37 -2.499 4.220 15.142 1.00 1.00 O ATOM 529 CB LYS A 37 -3.137 1.483 13.847 1.00 1.00 C ATOM 530 CG LYS A 37 -2.597 1.268 15.262 1.00 1.00 C ATOM 531 CD LYS A 37 -3.736 1.022 16.253 1.00 1.00 C ATOM 532 CE LYS A 37 -4.405 -0.329 15.996 1.00 1.00 C ATOM 533 NZ LYS A 37 -4.819 -0.954 17.272 1.00 1.00 N ATOM 0 H LYS A 37 -0.745 1.740 13.229 1.00 1.00 H new ATOM 0 HA LYS A 37 -3.030 2.850 12.248 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -4.225 1.538 13.874 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.876 0.630 13.221 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.914 0.418 15.269 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -2.023 2.141 15.572 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.349 1.052 17.272 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -4.475 1.819 16.169 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -5.274 -0.194 15.352 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -3.716 -0.988 15.468 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -5.271 -1.870 17.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -3.984 -1.100 17.874 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -5.493 -0.331 17.761 1.00 1.00 H new ATOM 546 N ILE A 38 -3.744 4.868 13.369 1.00 1.00 N ATOM 547 CA ILE A 38 -4.175 6.111 13.985 1.00 1.00 C ATOM 548 C ILE A 38 -5.140 5.799 15.131 1.00 1.00 C ATOM 549 O ILE A 38 -6.036 4.969 14.984 1.00 1.00 O ATOM 550 CB ILE A 38 -4.755 7.058 12.933 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.643 7.735 12.131 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.703 8.074 13.572 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.186 8.327 10.829 1.00 1.00 C ATOM 0 H ILE A 38 -4.109 4.708 12.430 1.00 1.00 H new ATOM 0 HA ILE A 38 -3.324 6.637 14.418 1.00 1.00 H new ATOM 0 HB ILE A 38 -5.343 6.468 12.230 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -3.186 8.523 12.730 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.860 7.011 11.906 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.101 8.735 12.802 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.524 7.549 14.059 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.160 8.664 14.311 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.374 8.802 10.279 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.620 7.533 10.221 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.952 9.068 11.058 1.00 1.00 H new ATOM 560 N GLU A 39 -4.923 6.481 16.246 1.00 1.00 N ATOM 561 CA GLU A 39 -5.763 6.287 17.416 1.00 1.00 C ATOM 562 C GLU A 39 -6.979 5.429 17.061 1.00 1.00 C ATOM 563 O GLU A 39 -8.040 5.956 16.729 1.00 1.00 O ATOM 564 CB GLU A 39 -6.195 7.629 18.010 1.00 1.00 C ATOM 565 CG GLU A 39 -7.182 7.428 19.161 1.00 1.00 C ATOM 566 CD GLU A 39 -6.535 7.771 20.504 1.00 1.00 C ATOM 567 OE1 GLU A 39 -6.081 8.908 20.702 1.00 1.00 O ATOM 568 OE2 GLU A 39 -6.515 6.807 21.362 1.00 1.00 O ATOM 0 H GLU A 39 -4.178 7.168 16.364 1.00 1.00 H new ATOM 0 HA GLU A 39 -5.181 5.762 18.173 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.319 8.171 18.368 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -6.655 8.242 17.235 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -8.060 8.055 19.006 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -7.527 6.394 19.173 1.00 1.00 H new ATOM 576 N GLY A 40 -6.784 4.121 17.144 1.00 1.00 N ATOM 577 CA GLY A 40 -7.852 3.184 16.835 1.00 1.00 C ATOM 578 C GLY A 40 -8.843 3.791 15.840 1.00 1.00 C ATOM 579 O GLY A 40 -9.978 4.098 16.198 1.00 1.00 O ATOM 0 H GLY A 40 -5.903 3.688 17.421 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.429 2.269 16.420 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.374 2.907 17.751 1.00 1.00 H new ATOM 583 N PHE A 41 -8.377 3.945 14.609 1.00 1.00 N ATOM 584 CA PHE A 41 -9.207 4.510 13.559 1.00 1.00 C ATOM 585 C PHE A 41 -10.466 3.669 13.346 1.00 1.00 C ATOM 586 O PHE A 41 -10.380 2.493 12.991 1.00 1.00 O ATOM 587 CB PHE A 41 -8.376 4.497 12.275 1.00 1.00 C ATOM 588 CG PHE A 41 -9.159 4.892 11.022 1.00 1.00 C ATOM 589 CD1 PHE A 41 -9.243 6.201 10.657 1.00 1.00 C ATOM 590 CD2 PHE A 41 -9.773 3.938 10.274 1.00 1.00 C ATOM 591 CE1 PHE A 41 -9.970 6.567 9.495 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.500 4.304 9.111 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.584 5.612 8.746 1.00 1.00 C ATOM 0 H PHE A 41 -7.435 3.688 14.315 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.517 5.519 13.832 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.533 5.178 12.393 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.962 3.499 12.133 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.757 6.960 11.252 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -9.708 2.900 10.565 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -10.036 7.605 9.205 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.986 3.545 8.516 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.138 5.892 7.862 1.00 1.00 H new ATOM 603 N GLY A 42 -11.608 4.303 13.570 1.00 1.00 N ATOM 604 CA GLY A 42 -12.885 3.627 13.407 1.00 1.00 C ATOM 605 C GLY A 42 -13.668 4.212 12.231 1.00 1.00 C ATOM 606 O GLY A 42 -13.202 5.140 11.569 1.00 1.00 O ATOM 0 H GLY A 42 -11.676 5.278 13.863 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.719 2.562 13.244 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.470 3.722 14.322 1.00 1.00 H new ATOM 610 N LYS A 43 -14.845 3.647 12.005 1.00 1.00 N ATOM 611 CA LYS A 43 -15.698 4.101 10.920 1.00 1.00 C ATOM 612 C LYS A 43 -16.047 5.576 11.134 1.00 1.00 C ATOM 613 O LYS A 43 -16.064 6.358 10.185 1.00 1.00 O ATOM 614 CB LYS A 43 -16.922 3.194 10.784 1.00 1.00 C ATOM 615 CG LYS A 43 -16.504 1.727 10.658 1.00 1.00 C ATOM 616 CD LYS A 43 -15.492 1.539 9.527 1.00 1.00 C ATOM 617 CE LYS A 43 -14.092 1.273 10.082 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.088 0.047 10.913 1.00 1.00 N ATOM 0 H LYS A 43 -15.228 2.878 12.555 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.172 4.032 9.968 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.570 3.318 11.652 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.502 3.488 9.909 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.071 1.387 11.599 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.383 1.110 10.470 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.800 0.707 8.893 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.475 2.429 8.898 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.383 1.165 9.261 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.763 2.124 10.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.169 -0.431 10.822 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.249 0.302 11.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.843 -0.592 10.593 1.00 1.00 H new ATOM 631 N GLU A 44 -16.315 5.912 12.388 1.00 1.00 N ATOM 632 CA GLU A 44 -16.663 7.278 12.739 1.00 1.00 C ATOM 633 C GLU A 44 -15.617 8.250 12.188 1.00 1.00 C ATOM 634 O GLU A 44 -15.963 9.307 11.665 1.00 1.00 O ATOM 635 CB GLU A 44 -16.812 7.434 14.254 1.00 1.00 C ATOM 636 CG GLU A 44 -15.444 7.563 14.928 1.00 1.00 C ATOM 637 CD GLU A 44 -14.684 6.236 14.886 1.00 1.00 C ATOM 638 OE1 GLU A 44 -15.256 5.205 14.500 1.00 1.00 O ATOM 639 OE2 GLU A 44 -13.454 6.299 15.269 1.00 1.00 O ATOM 0 H GLU A 44 -16.298 5.261 13.173 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.626 7.515 12.286 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -17.415 8.315 14.475 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -17.343 6.574 14.662 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -14.860 8.336 14.429 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -15.573 7.879 15.963 1.00 1.00 H new ATOM 647 N MET A 45 -14.360 7.855 12.323 1.00 1.00 N ATOM 648 CA MET A 45 -13.261 8.678 11.845 1.00 1.00 C ATOM 649 C MET A 45 -13.305 8.820 10.322 1.00 1.00 C ATOM 650 O MET A 45 -13.126 9.914 9.791 1.00 1.00 O ATOM 651 CB MET A 45 -11.932 8.047 12.262 1.00 1.00 C ATOM 652 CG MET A 45 -11.228 8.900 13.320 1.00 1.00 C ATOM 653 SD MET A 45 -11.967 8.620 14.920 1.00 1.00 S ATOM 654 CE MET A 45 -12.898 10.131 15.101 1.00 1.00 C ATOM 0 H MET A 45 -14.077 6.976 12.756 1.00 1.00 H new ATOM 0 HA MET A 45 -13.356 9.670 12.286 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.108 7.046 12.655 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.288 7.938 11.390 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.167 8.652 13.352 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.301 9.955 13.056 1.00 1.00 H new ATOM 0 HE1 MET A 45 -13.324 10.178 16.103 1.00 1.00 H new ATOM 0 HE2 MET A 45 -12.239 10.985 14.946 1.00 1.00 H new ATOM 0 HE3 MET A 45 -13.701 10.154 14.364 1.00 1.00 H new ATOM 664 N ALA A 46 -13.544 7.696 9.662 1.00 1.00 N ATOM 665 CA ALA A 46 -13.613 7.680 8.211 1.00 1.00 C ATOM 666 C ALA A 46 -14.445 8.871 7.732 1.00 1.00 C ATOM 667 O ALA A 46 -14.179 9.443 6.677 1.00 1.00 O ATOM 668 CB ALA A 46 -14.187 6.342 7.741 1.00 1.00 C ATOM 0 H ALA A 46 -13.692 6.790 10.106 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.617 7.777 7.779 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -14.239 6.331 6.652 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.544 5.530 8.082 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -15.188 6.210 8.153 1.00 1.00 H new ATOM 674 N HIS A 47 -15.451 9.217 8.536 1.00 1.00 N ATOM 675 CA HIS A 47 -16.352 10.327 8.247 1.00 1.00 C ATOM 676 C HIS A 47 -16.206 11.412 9.329 1.00 1.00 C ATOM 677 O HIS A 47 -17.168 12.117 9.630 1.00 1.00 O ATOM 678 CB HIS A 47 -17.778 9.780 8.088 1.00 1.00 C ATOM 679 CG HIS A 47 -17.917 8.415 7.453 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.462 7.376 8.092 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.560 7.955 6.207 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.445 6.309 7.277 1.00 1.00 C ATOM 683 NE2 HIS A 47 -17.899 6.612 6.101 1.00 1.00 N ATOM 0 H HIS A 47 -15.662 8.732 9.408 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.097 10.814 7.306 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.240 9.745 9.074 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.351 10.492 7.493 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -18.831 7.391 9.043 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.090 8.545 5.433 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -18.824 5.333 7.541 1.00 1.00 H new ATOM 691 N GLY A 48 -15.003 11.509 9.876 1.00 1.00 N ATOM 692 CA GLY A 48 -14.729 12.493 10.910 1.00 1.00 C ATOM 693 C GLY A 48 -13.787 13.582 10.392 1.00 1.00 C ATOM 694 O GLY A 48 -13.995 14.125 9.308 1.00 1.00 O ATOM 0 H GLY A 48 -14.207 10.923 9.623 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -15.663 12.944 11.245 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.283 12.003 11.775 1.00 1.00 H new ATOM 698 N LYS A 49 -12.772 13.871 11.193 1.00 1.00 N ATOM 699 CA LYS A 49 -11.796 14.886 10.830 1.00 1.00 C ATOM 700 C LYS A 49 -10.464 14.211 10.499 1.00 1.00 C ATOM 701 O LYS A 49 -9.412 14.647 10.963 1.00 1.00 O ATOM 702 CB LYS A 49 -11.693 15.946 11.927 1.00 1.00 C ATOM 703 CG LYS A 49 -12.663 17.102 11.667 1.00 1.00 C ATOM 704 CD LYS A 49 -13.277 17.607 12.974 1.00 1.00 C ATOM 705 CE LYS A 49 -12.949 19.083 13.199 1.00 1.00 C ATOM 706 NZ LYS A 49 -11.996 19.237 14.322 1.00 1.00 N ATOM 0 H LYS A 49 -12.604 13.420 12.092 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.115 15.418 9.934 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -11.911 15.495 12.895 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.673 16.327 11.975 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.138 17.917 11.169 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.454 16.773 10.993 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.358 17.471 12.948 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -12.901 17.016 13.809 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.522 19.509 12.291 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.864 19.637 13.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -11.784 20.246 14.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -12.417 18.848 15.190 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -11.117 18.725 14.104 1.00 1.00 H new ATOM 719 N GLY A 50 -10.553 13.159 9.699 1.00 1.00 N ATOM 720 CA GLY A 50 -9.366 12.420 9.300 1.00 1.00 C ATOM 721 C GLY A 50 -9.630 11.598 8.037 1.00 1.00 C ATOM 722 O GLY A 50 -9.167 10.464 7.921 1.00 1.00 O ATOM 0 H GLY A 50 -11.428 12.800 9.316 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.544 13.114 9.121 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.055 11.760 10.110 1.00 1.00 H new ATOM 726 N CYS A 51 -10.374 12.202 7.121 1.00 1.00 N ATOM 727 CA CYS A 51 -10.706 11.541 5.872 1.00 1.00 C ATOM 728 C CYS A 51 -11.587 12.482 5.049 1.00 1.00 C ATOM 729 O CYS A 51 -11.133 13.061 4.063 1.00 1.00 O ATOM 730 CB CYS A 51 -11.381 10.189 6.109 1.00 1.00 C ATOM 731 SG CYS A 51 -10.964 8.896 4.882 1.00 1.00 S ATOM 0 H CYS A 51 -10.756 13.143 7.220 1.00 1.00 H new ATOM 0 HA CYS A 51 -9.792 11.325 5.319 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.106 9.831 7.101 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.461 10.334 6.110 1.00 1.00 H new ATOM 736 N LYS A 52 -12.832 12.606 5.484 1.00 1.00 N ATOM 737 CA LYS A 52 -13.781 13.468 4.800 1.00 1.00 C ATOM 738 C LYS A 52 -13.699 14.878 5.387 1.00 1.00 C ATOM 739 O LYS A 52 -13.565 15.855 4.651 1.00 1.00 O ATOM 740 CB LYS A 52 -15.186 12.863 4.848 1.00 1.00 C ATOM 741 CG LYS A 52 -16.151 13.646 3.955 1.00 1.00 C ATOM 742 CD LYS A 52 -17.567 13.632 4.536 1.00 1.00 C ATOM 743 CE LYS A 52 -17.815 14.868 5.402 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.617 14.513 6.594 1.00 1.00 N ATOM 0 H LYS A 52 -13.206 12.124 6.302 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.529 13.548 3.743 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.149 11.823 4.525 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.552 12.865 5.875 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.805 14.675 3.854 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.160 13.213 2.955 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -18.296 13.598 3.726 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.711 12.731 5.132 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -16.863 15.299 5.712 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.335 15.629 4.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -18.776 15.363 7.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.533 14.123 6.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.106 13.803 7.157 1.00 1.00 H new ATOM 757 N GLY A 53 -13.782 14.941 6.708 1.00 1.00 N ATOM 758 CA GLY A 53 -13.717 16.215 7.404 1.00 1.00 C ATOM 759 C GLY A 53 -12.706 17.152 6.739 1.00 1.00 C ATOM 760 O GLY A 53 -12.959 18.348 6.603 1.00 1.00 O ATOM 0 H GLY A 53 -13.894 14.129 7.315 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.702 16.682 7.409 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.437 16.051 8.445 1.00 1.00 H new ATOM 764 N CYS A 54 -11.582 16.572 6.344 1.00 1.00 N ATOM 765 CA CYS A 54 -10.531 17.340 5.698 1.00 1.00 C ATOM 766 C CYS A 54 -11.118 17.999 4.449 1.00 1.00 C ATOM 767 O CYS A 54 -11.414 19.193 4.447 1.00 1.00 O ATOM 768 CB CYS A 54 -9.317 16.470 5.367 1.00 1.00 C ATOM 769 SG CYS A 54 -7.811 17.185 6.122 1.00 1.00 S ATOM 0 H CYS A 54 -11.376 15.580 6.459 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.169 18.110 6.379 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.473 15.457 5.737 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.194 16.399 4.286 1.00 1.00 H new ATOM 774 N HIS A 55 -11.270 17.189 3.402 1.00 1.00 N ATOM 775 CA HIS A 55 -11.814 17.637 2.125 1.00 1.00 C ATOM 776 C HIS A 55 -12.909 18.693 2.368 1.00 1.00 C ATOM 777 O HIS A 55 -12.918 19.735 1.715 1.00 1.00 O ATOM 778 CB HIS A 55 -12.283 16.413 1.326 1.00 1.00 C ATOM 779 CG HIS A 55 -11.363 15.214 1.318 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.766 13.995 1.693 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.041 15.088 0.965 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.735 13.144 1.580 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.644 13.767 1.134 1.00 1.00 N ATOM 0 H HIS A 55 -11.018 16.201 3.418 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.054 18.132 1.520 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.249 16.098 1.722 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.447 16.723 0.294 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.704 13.752 2.013 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.410 15.890 0.612 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.783 12.092 1.819 1.00 1.00 H new ATOM 791 N GLU A 56 -13.796 18.385 3.302 1.00 1.00 N ATOM 792 CA GLU A 56 -14.882 19.292 3.632 1.00 1.00 C ATOM 793 C GLU A 56 -14.333 20.690 3.932 1.00 1.00 C ATOM 794 O GLU A 56 -14.848 21.684 3.423 1.00 1.00 O ATOM 795 CB GLU A 56 -15.701 18.761 4.810 1.00 1.00 C ATOM 796 CG GLU A 56 -16.444 19.897 5.517 1.00 1.00 C ATOM 797 CD GLU A 56 -17.283 19.364 6.680 1.00 1.00 C ATOM 798 OE1 GLU A 56 -17.037 19.727 7.839 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.219 18.543 6.344 1.00 1.00 O ATOM 0 H GLU A 56 -13.785 17.519 3.841 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.547 19.360 2.771 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.416 18.019 4.455 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.043 18.256 5.517 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -15.727 20.630 5.887 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.089 20.413 4.805 1.00 1.00 H new ATOM 807 N GLU A 57 -13.295 20.719 4.755 1.00 1.00 N ATOM 808 CA GLU A 57 -12.672 21.977 5.128 1.00 1.00 C ATOM 809 C GLU A 57 -11.604 22.365 4.102 1.00 1.00 C ATOM 810 O GLU A 57 -11.587 23.495 3.617 1.00 1.00 O ATOM 811 CB GLU A 57 -12.076 21.898 6.534 1.00 1.00 C ATOM 812 CG GLU A 57 -12.695 22.954 7.453 1.00 1.00 C ATOM 813 CD GLU A 57 -13.569 22.302 8.526 1.00 1.00 C ATOM 814 OE1 GLU A 57 -14.806 22.348 8.431 1.00 1.00 O ATOM 815 OE2 GLU A 57 -12.922 21.731 9.484 1.00 1.00 O ATOM 0 H GLU A 57 -12.870 19.892 5.174 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.439 22.751 5.137 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.246 20.905 6.949 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.997 22.042 6.484 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -11.905 23.537 7.927 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.294 23.648 6.864 1.00 1.00 H new ATOM 823 N MET A 58 -10.741 21.406 3.802 1.00 1.00 N ATOM 824 CA MET A 58 -9.674 21.633 2.842 1.00 1.00 C ATOM 825 C MET A 58 -10.234 22.117 1.504 1.00 1.00 C ATOM 826 O MET A 58 -9.509 22.697 0.696 1.00 1.00 O ATOM 827 CB MET A 58 -8.893 20.335 2.630 1.00 1.00 C ATOM 828 CG MET A 58 -7.385 20.590 2.665 1.00 1.00 C ATOM 829 SD MET A 58 -6.749 20.257 4.299 1.00 1.00 S ATOM 830 CE MET A 58 -5.726 21.702 4.534 1.00 1.00 C ATOM 0 H MET A 58 -10.759 20.470 4.207 1.00 1.00 H new ATOM 0 HA MET A 58 -9.013 22.404 3.238 1.00 1.00 H new ATOM 0 HB2 MET A 58 -9.162 19.615 3.403 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.168 19.893 1.672 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.883 19.956 1.934 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.176 21.623 2.388 1.00 1.00 H new ATOM 0 HE1 MET A 58 -5.250 21.655 5.513 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.960 21.736 3.759 1.00 1.00 H new ATOM 0 HE3 MET A 58 -6.343 22.598 4.473 1.00 1.00 H new ATOM 840 N LYS A 59 -11.519 21.861 1.309 1.00 1.00 N ATOM 841 CA LYS A 59 -12.185 22.264 0.082 1.00 1.00 C ATOM 842 C LYS A 59 -11.535 21.548 -1.104 1.00 1.00 C ATOM 843 O LYS A 59 -11.764 21.915 -2.256 1.00 1.00 O ATOM 844 CB LYS A 59 -12.191 23.788 -0.050 1.00 1.00 C ATOM 845 CG LYS A 59 -13.486 24.278 -0.701 1.00 1.00 C ATOM 846 CD LYS A 59 -14.330 25.081 0.290 1.00 1.00 C ATOM 847 CE LYS A 59 -15.585 25.640 -0.385 1.00 1.00 C ATOM 848 NZ LYS A 59 -15.221 26.676 -1.377 1.00 1.00 N ATOM 0 H LYS A 59 -12.117 21.379 1.980 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.233 21.965 0.102 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.081 24.242 0.935 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.337 24.108 -0.646 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.250 24.896 -1.567 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.059 23.425 -1.065 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.616 24.445 1.128 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -13.737 25.899 0.698 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -16.131 24.834 -0.875 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -16.251 26.065 0.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -16.068 27.219 -1.639 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.513 27.317 -0.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -14.826 26.221 -2.225 1.00 1.00 H new ATOM 861 N LYS A 60 -10.741 20.538 -0.782 1.00 1.00 N ATOM 862 CA LYS A 60 -10.057 19.767 -1.806 1.00 1.00 C ATOM 863 C LYS A 60 -10.226 18.275 -1.513 1.00 1.00 C ATOM 864 O LYS A 60 -9.996 17.829 -0.390 1.00 1.00 O ATOM 865 CB LYS A 60 -8.597 20.209 -1.925 1.00 1.00 C ATOM 866 CG LYS A 60 -7.919 20.235 -0.553 1.00 1.00 C ATOM 867 CD LYS A 60 -6.473 20.721 -0.665 1.00 1.00 C ATOM 868 CE LYS A 60 -6.418 22.188 -1.093 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.414 22.298 -2.569 1.00 1.00 N ATOM 0 H LYS A 60 -10.556 20.235 0.174 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.502 19.953 -2.783 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.060 19.530 -2.587 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.549 21.199 -2.377 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.475 20.889 0.119 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.938 19.237 -0.115 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.970 20.600 0.294 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.935 20.108 -1.387 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.275 22.724 -0.685 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.523 22.659 -0.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.563 22.810 -2.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.416 21.346 -2.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.261 22.815 -2.881 1.00 1.00 H new ATOM 882 N GLY A 61 -10.627 17.544 -2.543 1.00 1.00 N ATOM 883 CA GLY A 61 -10.829 16.111 -2.409 1.00 1.00 C ATOM 884 C GLY A 61 -12.302 15.744 -2.609 1.00 1.00 C ATOM 885 O GLY A 61 -13.187 16.596 -2.650 1.00 1.00 O ATOM 0 H GLY A 61 -10.817 17.917 -3.473 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.217 15.584 -3.140 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.500 15.784 -1.423 1.00 1.00 H new ATOM 889 N PRO A 62 -12.546 14.437 -2.733 1.00 1.00 N ATOM 890 CA PRO A 62 -13.862 13.869 -2.927 1.00 1.00 C ATOM 891 C PRO A 62 -14.515 13.620 -1.574 1.00 1.00 C ATOM 892 O PRO A 62 -13.821 13.207 -0.647 1.00 1.00 O ATOM 893 CB PRO A 62 -13.616 12.555 -3.666 1.00 1.00 C ATOM 894 CG PRO A 62 -12.242 12.132 -3.130 1.00 1.00 C ATOM 895 CD PRO A 62 -11.530 13.409 -2.689 1.00 1.00 C ATOM 0 HA PRO A 62 -14.529 14.525 -3.487 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.384 11.814 -3.445 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.606 12.692 -4.747 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.349 11.440 -2.294 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.669 11.616 -3.900 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.117 13.305 -1.686 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.699 13.647 -3.353 1.00 1.00 H new ATOM 903 N THR A 63 -15.813 13.870 -1.487 1.00 1.00 N ATOM 904 CA THR A 63 -16.532 13.668 -0.241 1.00 1.00 C ATOM 905 C THR A 63 -17.666 12.660 -0.437 1.00 1.00 C ATOM 906 O THR A 63 -18.227 12.154 0.534 1.00 1.00 O ATOM 907 CB THR A 63 -17.012 15.033 0.256 1.00 1.00 C ATOM 908 OG1 THR A 63 -16.363 15.964 -0.606 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.471 15.374 1.646 1.00 1.00 C ATOM 0 H THR A 63 -16.385 14.211 -2.259 1.00 1.00 H new ATOM 0 HA THR A 63 -15.885 13.238 0.523 1.00 1.00 H new ATOM 0 HB THR A 63 -18.102 15.049 0.277 1.00 1.00 H new ATOM 0 HG1 THR A 63 -16.620 16.876 -0.355 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.842 16.353 1.951 1.00 1.00 H new ATOM 0 HG22 THR A 63 -16.804 14.621 2.361 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.381 15.392 1.618 1.00 1.00 H new ATOM 915 N LYS A 64 -17.970 12.397 -1.699 1.00 1.00 N ATOM 916 CA LYS A 64 -19.026 11.459 -2.035 1.00 1.00 C ATOM 917 C LYS A 64 -18.601 10.049 -1.619 1.00 1.00 C ATOM 918 O LYS A 64 -17.410 9.751 -1.549 1.00 1.00 O ATOM 919 CB LYS A 64 -19.397 11.577 -3.515 1.00 1.00 C ATOM 920 CG LYS A 64 -20.126 12.893 -3.794 1.00 1.00 C ATOM 921 CD LYS A 64 -21.156 12.724 -4.912 1.00 1.00 C ATOM 922 CE LYS A 64 -21.186 13.954 -5.821 1.00 1.00 C ATOM 923 NZ LYS A 64 -20.903 13.570 -7.222 1.00 1.00 N ATOM 0 H LYS A 64 -17.503 12.818 -2.502 1.00 1.00 H new ATOM 0 HA LYS A 64 -19.935 11.695 -1.482 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.496 11.520 -4.125 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.031 10.738 -3.803 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.622 13.237 -2.887 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -19.404 13.660 -4.073 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -20.917 11.838 -5.501 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.144 12.563 -4.480 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.162 14.435 -5.760 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -20.450 14.682 -5.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -20.927 14.417 -7.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -19.962 13.131 -7.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -21.621 12.892 -7.548 1.00 1.00 H new ATOM 936 N CYS A 65 -19.599 9.219 -1.354 1.00 1.00 N ATOM 937 CA CYS A 65 -19.344 7.848 -0.946 1.00 1.00 C ATOM 938 C CYS A 65 -18.735 7.099 -2.134 1.00 1.00 C ATOM 939 O CYS A 65 -17.588 6.658 -2.072 1.00 1.00 O ATOM 940 CB CYS A 65 -20.613 7.166 -0.430 1.00 1.00 C ATOM 941 SG CYS A 65 -21.907 8.309 0.175 1.00 1.00 S ATOM 0 H CYS A 65 -20.586 9.470 -1.414 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.641 7.838 -0.113 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.032 6.556 -1.231 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.341 6.487 0.378 1.00 1.00 H new ATOM 946 N GLY A 66 -19.531 6.978 -3.187 1.00 1.00 N ATOM 947 CA GLY A 66 -19.085 6.291 -4.386 1.00 1.00 C ATOM 948 C GLY A 66 -17.635 6.647 -4.716 1.00 1.00 C ATOM 949 O GLY A 66 -16.934 5.873 -5.366 1.00 1.00 O ATOM 0 H GLY A 66 -20.482 7.344 -3.234 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.176 5.214 -4.247 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.729 6.560 -5.224 1.00 1.00 H new ATOM 953 N GLU A 67 -17.227 7.820 -4.252 1.00 1.00 N ATOM 954 CA GLU A 67 -15.873 8.289 -4.490 1.00 1.00 C ATOM 955 C GLU A 67 -14.889 7.550 -3.581 1.00 1.00 C ATOM 956 O GLU A 67 -13.828 7.118 -4.030 1.00 1.00 O ATOM 957 CB GLU A 67 -15.774 9.803 -4.291 1.00 1.00 C ATOM 958 CG GLU A 67 -16.586 10.550 -5.350 1.00 1.00 C ATOM 959 CD GLU A 67 -15.878 10.519 -6.707 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.680 10.207 -6.773 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.617 10.835 -7.715 1.00 1.00 O ATOM 0 H GLU A 67 -17.811 8.459 -3.713 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.611 8.075 -5.526 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.136 10.067 -3.297 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.730 10.113 -4.343 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.574 10.099 -5.441 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.735 11.583 -5.037 1.00 1.00 H new ATOM 969 N CYS A 68 -15.274 7.429 -2.319 1.00 1.00 N ATOM 970 CA CYS A 68 -14.439 6.750 -1.343 1.00 1.00 C ATOM 971 C CYS A 68 -14.731 5.251 -1.421 1.00 1.00 C ATOM 972 O CYS A 68 -13.815 4.429 -1.417 1.00 1.00 O ATOM 973 CB CYS A 68 -14.656 7.301 0.068 1.00 1.00 C ATOM 974 SG CYS A 68 -13.395 8.573 0.444 1.00 1.00 S ATOM 0 H CYS A 68 -16.154 7.790 -1.950 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.388 6.927 -1.574 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.654 7.731 0.150 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.597 6.492 0.796 1.00 1.00 H new ATOM 979 N HIS A 69 -16.023 4.930 -1.492 1.00 1.00 N ATOM 980 CA HIS A 69 -16.494 3.553 -1.573 1.00 1.00 C ATOM 981 C HIS A 69 -16.783 3.186 -3.040 1.00 1.00 C ATOM 982 O HIS A 69 -17.175 4.047 -3.827 1.00 1.00 O ATOM 983 CB HIS A 69 -17.695 3.382 -0.631 1.00 1.00 C ATOM 984 CG HIS A 69 -17.444 3.617 0.840 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.704 2.789 1.585 1.00 1.00 N ATOM 986 CD2 HIS A 69 -17.862 4.619 1.683 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.662 3.258 2.841 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.361 4.385 2.958 1.00 1.00 N ATOM 0 H HIS A 69 -16.772 5.622 -1.495 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.731 2.851 -1.238 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.481 4.064 -0.955 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.081 2.370 -0.753 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.247 1.940 1.253 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.482 5.456 1.399 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.130 2.783 3.652 1.00 1.00 H new ATOM 996 N LYS A 70 -16.578 1.916 -3.359 1.00 1.00 N ATOM 997 CA LYS A 70 -16.814 1.435 -4.710 1.00 1.00 C ATOM 998 C LYS A 70 -17.995 0.463 -4.702 1.00 1.00 C ATOM 999 O LYS A 70 -17.942 -0.577 -4.047 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.531 0.843 -5.297 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.204 1.479 -6.651 1.00 1.00 C ATOM 1002 CD LYS A 70 -16.194 1.024 -7.725 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.460 0.537 -8.975 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.591 1.606 -9.515 1.00 1.00 N ATOM 0 H LYS A 70 -16.251 1.205 -2.705 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.087 2.260 -5.368 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.703 1.003 -4.606 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.644 -0.235 -5.415 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -15.232 2.565 -6.563 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -14.191 1.209 -6.948 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -16.820 0.223 -7.332 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -16.857 1.849 -7.986 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.860 -0.340 -8.733 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.182 0.230 -9.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -14.426 1.440 -10.528 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -15.054 2.528 -9.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.681 1.602 -9.011 1.00 1.00 H new ATOM 1017 N LYS A 71 -19.031 0.836 -5.438 1.00 1.00 N ATOM 1018 CA LYS A 71 -20.223 0.009 -5.525 1.00 1.00 C ATOM 1019 C LYS A 71 -20.540 -0.270 -6.996 1.00 1.00 C ATOM 1020 O LYS A 71 -21.120 -1.303 -7.325 1.00 1.00 O ATOM 1021 CB LYS A 71 -21.379 0.653 -4.758 1.00 1.00 C ATOM 1022 CG LYS A 71 -22.722 0.068 -5.198 1.00 1.00 C ATOM 1023 CD LYS A 71 -23.753 0.152 -4.070 1.00 1.00 C ATOM 1024 CE LYS A 71 -24.439 -1.197 -3.853 1.00 1.00 C ATOM 1025 NZ LYS A 71 -25.882 -1.102 -4.165 1.00 1.00 N ATOM 0 H LYS A 71 -19.070 1.699 -5.980 1.00 1.00 H new ATOM 0 HA LYS A 71 -20.052 -0.956 -5.047 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.243 0.496 -3.688 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.375 1.730 -4.925 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -23.089 0.607 -6.072 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -22.589 -0.972 -5.497 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -23.264 0.468 -3.148 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -24.499 0.909 -4.310 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.974 -1.954 -4.485 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -24.305 -1.518 -2.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -26.332 -2.027 -4.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -26.325 -0.395 -3.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -26.005 -0.817 -5.158 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 -0.056 8.223 6.749 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -1.219 5.002 7.602 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.147 7.160 7.603 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.138 11.307 6.025 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.317 9.228 6.391 1.00 1.00 C HETATM 1044 NA HEC A 101 0.776 6.450 7.507 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.150 5.230 7.695 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.124 4.210 8.004 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.335 4.805 8.006 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.124 6.200 7.697 1.00 1.00 C HETATM 1049 CMA HEC A 101 3.673 4.177 8.272 1.00 1.00 C HETATM 1050 CAA HEC A 101 0.802 2.768 8.270 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.123 1.837 7.104 1.00 1.00 C HETATM 1052 CGA HEC A 101 0.862 0.384 7.476 1.00 1.00 C HETATM 1053 O1A HEC A 101 0.310 -0.332 6.613 1.00 1.00 O HETATM 1054 O2A HEC A 101 1.220 0.017 8.616 1.00 1.00 O HETATM 1055 NB HEC A 101 1.784 9.021 6.729 1.00 1.00 N HETATM 1056 C1B HEC A 101 2.949 8.493 7.257 1.00 1.00 C HETATM 1057 C2B HEC A 101 3.946 9.527 7.404 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.392 10.678 6.967 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.047 10.368 6.546 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.330 9.314 7.946 1.00 1.00 C HETATM 1061 CAB HEC A 101 4.018 12.041 6.911 1.00 1.00 C HETATM 1062 CBB HEC A 101 4.818 12.408 8.157 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.948 9.903 6.129 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.321 11.135 6.059 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.295 12.197 6.165 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.505 11.615 6.299 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.294 10.186 6.278 1.00 1.00 C HETATM 1068 CMC HEC A 101 -0.973 13.663 6.127 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.841 12.284 6.446 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.428 12.792 5.132 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.886 7.298 6.954 1.00 1.00 N HETATM 1072 C1D HEC A 101 -3.117 7.902 6.762 1.00 1.00 C HETATM 1073 C2D HEC A 101 -4.182 6.957 7.003 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.604 5.784 7.339 1.00 1.00 C HETATM 1075 C4D HEC A 101 -2.175 5.992 7.310 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.646 7.266 6.889 1.00 1.00 C HETATM 1077 CAD HEC A 101 -4.277 4.488 7.684 1.00 1.00 C HETATM 1078 CBD HEC A 101 -5.046 4.519 9.002 1.00 1.00 C HETATM 1079 CGD HEC A 101 -6.540 4.675 8.761 1.00 1.00 C HETATM 1080 O1D HEC A 101 -7.125 5.581 9.393 1.00 1.00 O HETATM 1081 O2D HEC A 101 -7.069 3.886 7.947 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.905 8.062 7.587 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.872 7.587 5.872 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -6.226 6.374 7.125 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.299 13.909 6.947 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.494 13.906 5.178 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -1.892 14.240 6.228 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.267 8.932 8.965 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 5.859 8.595 7.321 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 5.870 10.261 7.946 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 3.681 3.748 9.274 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 3.858 3.392 7.539 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 4.452 4.935 8.196 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -4.858 3.600 9.558 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -4.686 5.343 9.617 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.750 13.521 4.689 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.561 11.956 4.445 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.393 13.262 5.322 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 4.163 12.391 9.028 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 5.625 11.689 8.296 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 5.238 13.407 8.039 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 0.517 2.109 6.240 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.166 1.960 6.813 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.964 4.222 6.881 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -3.524 3.701 7.733 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 1.356 2.438 9.149 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 -0.258 2.681 8.511 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.337 9.546 6.173 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.539 12.213 5.571 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.166 6.837 7.816 1.00 1.00 H new HETATM 0 HHA HEC A 101 -1.576 3.985 7.767 1.00 1.00 H new HETATM 0 H2D HEC A 101 -8.038 3.866 8.093 1.00 1.00 H new HETATM 0 H2A HEC A 101 0.797 -0.840 8.832 1.00 1.00 H new HETATM 1082 FE HEC A 102 -7.828 13.005 0.776 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -7.798 14.241 -2.447 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.451 10.152 -0.381 1.00 1.00 C HETATM 1085 CHC HEC A 102 -7.931 11.733 3.968 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.395 15.920 1.904 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.499 12.343 -1.035 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.369 12.987 -2.254 1.00 1.00 C HETATM 1089 C2A HEC A 102 -8.913 12.171 -3.313 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.372 11.036 -2.743 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.116 11.139 -1.325 1.00 1.00 C HETATM 1092 CMA HEC A 102 -10.029 9.865 -3.414 1.00 1.00 C HETATM 1093 CAA HEC A 102 -8.942 12.552 -4.764 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.606 12.372 -5.480 1.00 1.00 C HETATM 1095 CGA HEC A 102 -7.111 10.938 -5.363 1.00 1.00 C HETATM 1096 O1A HEC A 102 -6.898 10.502 -4.211 1.00 1.00 O HETATM 1097 O2A HEC A 102 -6.956 10.302 -6.429 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.569 11.307 1.613 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.156 10.228 0.976 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.429 9.175 1.926 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.008 9.609 3.132 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.472 10.936 2.943 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.063 7.857 1.588 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.068 8.886 4.447 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.479 7.479 4.408 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.212 13.691 2.612 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.551 13.161 3.846 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.372 14.150 4.882 1.00 1.00 C HETATM 1109 C3C HEC A 102 -6.927 15.276 4.285 1.00 1.00 C HETATM 1110 C4C HEC A 102 -6.826 14.995 2.872 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.645 13.923 6.341 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.589 16.591 4.926 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.277 16.582 5.704 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.316 14.773 -0.076 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.562 15.762 0.532 1.00 1.00 C HETATM 1116 C2D HEC A 102 -5.963 16.619 -0.463 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.350 16.156 -1.671 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.193 15.008 -1.435 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.080 17.796 -0.165 1.00 1.00 C HETATM 1120 CAD HEC A 102 -5.997 16.700 -3.025 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.402 15.662 -3.973 1.00 1.00 C HETATM 1122 CGD HEC A 102 -5.646 16.045 -5.425 1.00 1.00 C HETATM 1123 O1D HEC A 102 -5.052 17.059 -5.853 1.00 1.00 O HETATM 1124 O2D HEC A 102 -6.420 15.316 -6.083 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -5.630 18.520 0.436 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.200 17.461 0.385 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -4.768 18.263 -1.099 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.693 13.657 6.478 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -7.014 13.113 6.707 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.426 14.834 6.898 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.054 8.027 1.167 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.445 7.332 0.859 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.151 7.253 2.491 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -10.938 10.196 -3.915 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.346 9.436 -4.147 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.280 9.112 -2.667 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -4.331 15.571 -3.792 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.843 14.686 -3.772 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.332 15.840 6.501 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.457 16.332 5.031 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.104 17.567 6.137 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.026 6.875 3.684 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.430 7.532 4.117 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.560 7.023 5.395 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.715 12.638 -6.531 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -6.867 13.051 -5.054 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -6.892 17.123 -3.481 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.285 17.517 -2.903 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.698 11.953 -5.271 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.251 13.594 -4.849 1.00 1.00 H new HETATM 0 HHD HEC A 102 -5.895 16.824 2.253 1.00 1.00 H new HETATM 0 HHC HEC A 102 -7.778 11.259 4.937 1.00 1.00 H new HETATM 0 HHB HEC A 102 -9.978 9.267 -0.737 1.00 1.00 H new HETATM 0 HHA HEC A 102 -7.821 14.659 -3.454 1.00 1.00 H new HETATM 0 H2D HEC A 102 -6.685 15.779 -6.905 1.00 1.00 H new HETATM 0 H2A HEC A 102 -6.420 9.500 -6.256 1.00 1.00 H new HETATM 1125 FE HEC A 103 -17.648 5.516 4.584 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -16.634 2.866 6.488 1.00 1.00 C HETATM 1127 CHB HEC A 103 -20.947 4.440 4.862 1.00 1.00 C HETATM 1128 CHC HEC A 103 -18.727 8.051 2.463 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.398 6.429 4.031 1.00 1.00 C HETATM 1130 NA HEC A 103 -18.591 3.964 5.464 1.00 1.00 N HETATM 1131 C1A HEC A 103 -17.998 2.993 6.251 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.002 2.113 6.801 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.199 2.545 6.352 1.00 1.00 C HETATM 1134 C4A HEC A 103 -19.948 3.699 5.520 1.00 1.00 C HETATM 1135 CMA HEC A 103 -21.556 1.971 6.638 1.00 1.00 C HETATM 1136 CAA HEC A 103 -18.720 0.944 7.701 1.00 1.00 C HETATM 1137 CBA HEC A 103 -17.883 -0.153 7.051 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.634 -0.803 5.895 1.00 1.00 C HETATM 1139 O1A HEC A 103 -18.051 -0.839 4.790 1.00 1.00 O HETATM 1140 O2A HEC A 103 -19.774 -1.250 6.141 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.461 6.093 3.791 1.00 1.00 N HETATM 1142 C1B HEC A 103 -20.708 5.569 4.085 1.00 1.00 C HETATM 1143 C2B HEC A 103 -21.744 6.365 3.470 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.132 7.367 2.804 1.00 1.00 C HETATM 1145 C4B HEC A 103 -19.711 7.201 3.001 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.216 6.090 3.577 1.00 1.00 C HETATM 1147 CAB HEC A 103 -21.766 8.464 2.000 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.029 9.044 2.629 1.00 1.00 C HETATM 1149 NC HEC A 103 -16.761 7.074 3.658 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.356 8.088 2.926 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.349 8.893 2.276 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.149 8.374 2.609 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.400 7.241 3.469 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.633 10.079 1.400 1.00 1.00 C HETATM 1155 CAC HEC A 103 -13.788 8.848 2.190 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.562 10.344 2.392 1.00 1.00 C HETATM 1157 ND HEC A 103 -15.891 4.813 5.148 1.00 1.00 N HETATM 1158 C1D HEC A 103 -14.641 5.299 4.807 1.00 1.00 C HETATM 1159 C2D HEC A 103 -13.608 4.466 5.372 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.223 3.477 6.053 1.00 1.00 C HETATM 1161 C4D HEC A 103 -15.645 3.690 5.917 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.133 4.694 5.206 1.00 1.00 C HETATM 1163 CAD HEC A 103 -13.593 2.351 6.821 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.037 1.236 5.942 1.00 1.00 C HETATM 1165 CGD HEC A 103 -11.890 0.513 6.633 1.00 1.00 C HETATM 1166 O1D HEC A 103 -11.039 1.223 7.212 1.00 1.00 O HETATM 1167 O2D HEC A 103 -11.885 -0.735 6.571 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -11.877 4.662 4.147 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -11.867 5.669 5.614 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -11.583 3.917 5.736 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.239 9.766 0.550 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.173 10.833 1.972 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.694 10.500 1.041 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.433 5.104 3.166 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.517 6.121 4.624 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -23.769 6.845 3.018 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -21.595 0.939 6.291 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -21.745 2.000 7.711 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.315 2.557 6.120 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -13.829 0.525 5.706 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.691 1.653 4.996 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.292 10.904 1.807 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -13.677 10.590 3.448 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.556 10.607 2.066 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -23.774 8.256 2.742 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -22.790 9.460 3.608 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.427 9.831 1.988 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -16.945 0.267 6.689 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.628 -0.909 7.794 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -12.787 2.751 7.436 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.334 1.929 7.500 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.203 1.301 8.592 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -19.667 0.517 8.031 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.360 6.704 3.846 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.014 8.720 1.651 1.00 1.00 H new HETATM 0 HHB HEC A 103 -21.979 4.106 4.968 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.308 2.074 7.162 1.00 1.00 H new HETATM 0 H2D HEC A 103 -12.305 -1.023 5.733 1.00 1.00 H new HETATM 0 H2A HEC A 103 -20.248 -1.419 5.300 1.00 1.00 H new