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 14 THR OG1 : rot -78:sc= -1.27 USER MOD Set 1.2: A 111 HEC O2D : rot 40:sc= -1.76! USER MOD Set 2.1: A 67 HIS : +bothHN:sc= -0.954 K(o=-0.8,f=-17!) USER MOD Set 2.2: A 109 HEC O2A : rot 180:sc= 0.151 USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0739 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -0.145 (180deg=-1.28) USER MOD Single : A 11 MET CE :methyl -140:sc= -5.55! (180deg=-8.18!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -6.87! C(o=-6.9!,f=-11!) USER MOD Single : A 21 ASN : amide:sc= -0.585 X(o=-0.59,f=-0.26) USER MOD Single : A 23 SER OG : rot -106:sc= 0.444 USER MOD Single : A 24 THR OG1 : rot 9:sc= -0.134 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.21) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 130:sc= -2.67! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.829! (180deg=-1.81!) USER MOD Single : A 58 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.552) USER MOD Single : A 60 LYS NZ :NH3+ -107:sc= -0.287 (180deg=-1.26) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -143:sc= 1.15 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -170:sc= -4.06! (180deg=-5.74!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0528 K(o=-0.053,f=-0.61) USER MOD Single : A 74 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0.175 (180deg=0.0968) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0601) USER MOD Single : A 78 SER OG : rot 134:sc= 1.07 USER MOD Single : A 93 LYS NZ :NH3+ -114:sc= -3.4 (180deg=-4.55!) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00156) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 3:sc= -1.72! USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.414 (180deg=-1.94!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 37:sc= 1.13 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 140:sc= -0.728 USER MOD Single : A 108 HEC O2D : rot 165:sc= -0.657 USER MOD Single : A 109 HEC O2D : rot 98:sc= -3.97! USER MOD Single : A 110 HEC O2A : rot 165:sc= -0.189 USER MOD Single : A 110 HEC O2D : rot 165:sc= 0 USER MOD Single : A 111 HEC O2A : rot 180:sc= -0.282 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.904 -15.127 -3.045 1.00 0.00 N ATOM 2 CA ALA A 1 0.016 -14.079 -2.569 1.00 0.00 C ATOM 3 C ALA A 1 -1.010 -13.754 -3.657 1.00 0.00 C ATOM 4 O ALA A 1 -0.769 -13.917 -4.851 1.00 0.00 O ATOM 5 CB ALA A 1 0.841 -12.857 -2.161 1.00 0.00 C ATOM 0 H1 ALA A 1 1.890 -14.863 -2.847 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.680 -16.019 -2.559 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.778 -15.250 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.532 -14.411 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.175 -12.071 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.534 -13.134 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.403 -12.493 -3.021 1.00 0.00 H new ATOM 13 N PRO A 2 -2.177 -13.284 -3.210 1.00 0.00 N ATOM 14 CA PRO A 2 -3.286 -12.911 -4.060 1.00 0.00 C ATOM 15 C PRO A 2 -2.777 -12.071 -5.224 1.00 0.00 C ATOM 16 O PRO A 2 -2.031 -11.122 -4.989 1.00 0.00 O ATOM 17 CB PRO A 2 -4.212 -12.095 -3.161 1.00 0.00 C ATOM 18 CG PRO A 2 -3.939 -12.589 -1.804 1.00 0.00 C ATOM 19 CD PRO A 2 -2.494 -13.081 -1.812 1.00 0.00 C ATOM 0 HA PRO A 2 -3.800 -13.771 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.006 -11.028 -3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.258 -12.240 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.077 -11.798 -1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.623 -13.395 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.825 -12.350 -1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.388 -14.006 -1.245 1.00 0.00 H new ATOM 27 N LYS A 3 -3.179 -12.429 -6.434 1.00 0.00 N ATOM 28 CA LYS A 3 -2.750 -11.695 -7.613 1.00 0.00 C ATOM 29 C LYS A 3 -3.423 -10.321 -7.626 1.00 0.00 C ATOM 30 O LYS A 3 -4.027 -9.912 -6.635 1.00 0.00 O ATOM 31 CB LYS A 3 -3.003 -12.517 -8.878 1.00 0.00 C ATOM 32 CG LYS A 3 -2.290 -13.869 -8.806 1.00 0.00 C ATOM 33 CD LYS A 3 -1.059 -13.888 -9.713 1.00 0.00 C ATOM 34 CE LYS A 3 -1.278 -14.809 -10.915 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.507 -14.014 -12.142 1.00 0.00 N ATOM 0 H LYS A 3 -3.797 -13.218 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.674 -11.523 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.074 -12.673 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.655 -11.964 -9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.992 -14.073 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.976 -14.662 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.842 -12.877 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.190 -14.224 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.410 -15.454 -11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.133 -15.460 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.654 -14.654 -12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.349 -13.417 -12.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.679 -13.411 -12.325 1.00 0.00 H new ATOM 49 N ALA A 4 -3.297 -9.647 -8.760 1.00 0.00 N ATOM 50 CA ALA A 4 -3.887 -8.328 -8.915 1.00 0.00 C ATOM 51 C ALA A 4 -5.015 -8.396 -9.947 1.00 0.00 C ATOM 52 O ALA A 4 -4.813 -8.219 -11.146 1.00 0.00 O ATOM 53 CB ALA A 4 -2.799 -7.326 -9.306 1.00 0.00 C ATOM 0 H ALA A 4 -2.795 -9.989 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.321 -7.989 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.241 -6.336 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.037 -7.294 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.343 -7.633 -10.247 1.00 0.00 H new ATOM 59 N PRO A 5 -6.223 -8.661 -9.445 1.00 0.00 N ATOM 60 CA PRO A 5 -7.429 -8.769 -10.237 1.00 0.00 C ATOM 61 C PRO A 5 -7.430 -7.696 -11.316 1.00 0.00 C ATOM 62 O PRO A 5 -6.681 -6.729 -11.191 1.00 0.00 O ATOM 63 CB PRO A 5 -8.570 -8.549 -9.245 1.00 0.00 C ATOM 64 CG PRO A 5 -7.996 -9.147 -7.966 1.00 0.00 C ATOM 65 CD PRO A 5 -6.495 -8.874 -8.040 1.00 0.00 C ATOM 0 HA PRO A 5 -7.519 -9.730 -10.744 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.812 -7.493 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.485 -9.053 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.438 -8.686 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.200 -10.216 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.223 -8.000 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.921 -9.714 -7.650 1.00 0.00 H new ATOM 73 N ALA A 6 -8.253 -7.882 -12.337 1.00 0.00 N ATOM 74 CA ALA A 6 -8.329 -6.918 -13.422 1.00 0.00 C ATOM 75 C ALA A 6 -9.044 -5.658 -12.929 1.00 0.00 C ATOM 76 O ALA A 6 -9.938 -5.736 -12.088 1.00 0.00 O ATOM 77 CB ALA A 6 -9.031 -7.554 -14.623 1.00 0.00 C ATOM 0 H ALA A 6 -8.873 -8.686 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.330 -6.626 -13.746 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.088 -6.831 -15.436 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.468 -8.427 -14.953 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.038 -7.858 -14.337 1.00 0.00 H new ATOM 83 N ASP A 7 -8.622 -4.526 -13.473 1.00 0.00 N ATOM 84 CA ASP A 7 -9.211 -3.251 -13.100 1.00 0.00 C ATOM 85 C ASP A 7 -10.735 -3.385 -13.076 1.00 0.00 C ATOM 86 O ASP A 7 -11.282 -4.374 -13.561 1.00 0.00 O ATOM 87 CB ASP A 7 -8.849 -2.160 -14.109 1.00 0.00 C ATOM 88 CG ASP A 7 -7.444 -2.271 -14.705 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.278 -3.112 -15.614 1.00 0.00 O ATOM 90 OD2 ASP A 7 -6.567 -1.512 -14.237 1.00 0.00 O ATOM 0 H ASP A 7 -7.879 -4.465 -14.169 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.825 -2.977 -12.118 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.575 -2.182 -14.922 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.945 -1.189 -13.622 1.00 0.00 H new ATOM 95 N GLY A 8 -11.377 -2.376 -12.506 1.00 0.00 N ATOM 96 CA GLY A 8 -12.827 -2.369 -12.412 1.00 0.00 C ATOM 97 C GLY A 8 -13.282 -2.382 -10.952 1.00 0.00 C ATOM 98 O GLY A 8 -14.352 -2.900 -10.635 1.00 0.00 O ATOM 0 H GLY A 8 -10.920 -1.557 -12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.223 -1.485 -12.912 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.233 -3.238 -12.931 1.00 0.00 H new ATOM 102 N LEU A 9 -12.447 -1.805 -10.100 1.00 0.00 N ATOM 103 CA LEU A 9 -12.750 -1.743 -8.680 1.00 0.00 C ATOM 104 C LEU A 9 -12.964 -0.284 -8.272 1.00 0.00 C ATOM 105 O LEU A 9 -12.076 0.549 -8.447 1.00 0.00 O ATOM 106 CB LEU A 9 -11.667 -2.457 -7.870 1.00 0.00 C ATOM 107 CG LEU A 9 -10.920 -1.598 -6.847 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.822 -1.245 -5.663 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.626 -2.281 -6.398 1.00 0.00 C ATOM 0 H LEU A 9 -11.561 -1.376 -10.366 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.678 -2.273 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.126 -3.295 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.939 -2.876 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.640 -0.661 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.266 -0.634 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.689 -0.688 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.155 -2.160 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.115 -1.650 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.861 -3.242 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.979 -2.438 -7.261 1.00 0.00 H new ATOM 121 N LYS A 10 -14.146 -0.020 -7.735 1.00 0.00 N ATOM 122 CA LYS A 10 -14.487 1.324 -7.300 1.00 0.00 C ATOM 123 C LYS A 10 -15.075 1.265 -5.889 1.00 0.00 C ATOM 124 O LYS A 10 -15.777 0.315 -5.545 1.00 0.00 O ATOM 125 CB LYS A 10 -15.403 2.001 -8.321 1.00 0.00 C ATOM 126 CG LYS A 10 -16.837 1.482 -8.200 1.00 0.00 C ATOM 127 CD LYS A 10 -16.949 0.052 -8.734 1.00 0.00 C ATOM 128 CE LYS A 10 -18.234 -0.132 -9.544 1.00 0.00 C ATOM 129 NZ LYS A 10 -19.372 0.529 -8.867 1.00 0.00 N ATOM 0 H LYS A 10 -14.880 -0.714 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.593 1.946 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.389 3.080 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.030 1.817 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.151 1.510 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.512 2.135 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.085 -0.175 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.935 -0.653 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.105 0.286 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.444 -1.194 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.251 0.019 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.217 0.521 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.449 1.512 -9.198 1.00 0.00 H new ATOM 143 N MET A 11 -14.768 2.292 -5.111 1.00 0.00 N ATOM 144 CA MET A 11 -15.258 2.369 -3.745 1.00 0.00 C ATOM 145 C MET A 11 -16.275 3.501 -3.591 1.00 0.00 C ATOM 146 O MET A 11 -15.946 4.669 -3.795 1.00 0.00 O ATOM 147 CB MET A 11 -14.083 2.604 -2.794 1.00 0.00 C ATOM 148 CG MET A 11 -12.908 1.688 -3.137 1.00 0.00 C ATOM 149 SD MET A 11 -11.373 2.589 -3.009 1.00 0.00 S ATOM 150 CE MET A 11 -11.120 2.522 -1.243 1.00 0.00 C ATOM 0 H MET A 11 -14.186 3.078 -5.400 1.00 0.00 H new ATOM 0 HA MET A 11 -15.751 1.428 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.766 3.645 -2.853 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.401 2.425 -1.767 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.894 0.832 -2.462 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.025 1.295 -4.147 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.737 3.481 -0.894 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.067 2.307 -0.748 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.401 1.737 -1.008 1.00 0.00 H new ATOM 160 N GLU A 12 -17.491 3.117 -3.230 1.00 0.00 N ATOM 161 CA GLU A 12 -18.559 4.085 -3.046 1.00 0.00 C ATOM 162 C GLU A 12 -19.499 3.631 -1.928 1.00 0.00 C ATOM 163 O GLU A 12 -20.699 3.474 -2.147 1.00 0.00 O ATOM 164 CB GLU A 12 -19.326 4.311 -4.350 1.00 0.00 C ATOM 165 CG GLU A 12 -20.018 3.025 -4.808 1.00 0.00 C ATOM 166 CD GLU A 12 -21.403 3.324 -5.386 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.136 4.097 -4.732 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.697 2.773 -6.469 1.00 0.00 O ATOM 0 H GLU A 12 -17.760 2.148 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.114 5.037 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.068 5.097 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.641 4.655 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.406 2.526 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.112 2.339 -3.967 1.00 0.00 H new ATOM 175 N ALA A 13 -18.919 3.434 -0.753 1.00 0.00 N ATOM 176 CA ALA A 13 -19.690 3.002 0.400 1.00 0.00 C ATOM 177 C ALA A 13 -20.383 4.213 1.028 1.00 0.00 C ATOM 178 O ALA A 13 -21.509 4.106 1.512 1.00 0.00 O ATOM 179 CB ALA A 13 -18.771 2.280 1.387 1.00 0.00 C ATOM 0 H ALA A 13 -17.923 3.566 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.466 2.297 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.349 1.956 2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.326 1.411 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.981 2.958 1.712 1.00 0.00 H new ATOM 185 N THR A 14 -19.682 5.337 0.999 1.00 0.00 N ATOM 186 CA THR A 14 -20.216 6.567 1.559 1.00 0.00 C ATOM 187 C THR A 14 -20.948 7.370 0.482 1.00 0.00 C ATOM 188 O THR A 14 -21.376 6.814 -0.529 1.00 0.00 O ATOM 189 CB THR A 14 -19.061 7.331 2.207 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.463 8.040 1.125 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.950 6.403 2.704 1.00 0.00 C ATOM 0 H THR A 14 -18.749 5.422 0.596 1.00 0.00 H new ATOM 0 HA THR A 14 -20.961 6.361 2.328 1.00 0.00 H new ATOM 0 HB THR A 14 -19.440 7.922 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.899 7.430 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.155 6.997 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.355 5.715 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.548 5.835 1.865 1.00 0.00 H new ATOM 199 N LYS A 15 -21.069 8.665 0.735 1.00 0.00 N ATOM 200 CA LYS A 15 -21.741 9.550 -0.201 1.00 0.00 C ATOM 201 C LYS A 15 -20.718 10.116 -1.187 1.00 0.00 C ATOM 202 O LYS A 15 -20.878 11.230 -1.683 1.00 0.00 O ATOM 203 CB LYS A 15 -22.530 10.625 0.551 1.00 0.00 C ATOM 204 CG LYS A 15 -23.553 9.993 1.497 1.00 0.00 C ATOM 205 CD LYS A 15 -24.783 10.890 1.653 1.00 0.00 C ATOM 206 CE LYS A 15 -25.710 10.764 0.443 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.885 11.651 0.596 1.00 0.00 N ATOM 0 H LYS A 15 -20.713 9.122 1.574 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.476 8.997 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.844 11.254 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.040 11.272 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.855 9.019 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.096 9.824 2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.323 10.618 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.469 11.927 1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.168 11.022 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -26.039 9.730 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.504 11.553 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -27.411 11.386 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.567 12.638 0.676 1.00 0.00 H new ATOM 221 N GLN A 16 -19.688 9.322 -1.442 1.00 0.00 N ATOM 222 CA GLN A 16 -18.638 9.729 -2.360 1.00 0.00 C ATOM 223 C GLN A 16 -17.943 8.501 -2.951 1.00 0.00 C ATOM 224 O GLN A 16 -17.134 7.836 -2.308 1.00 0.00 O ATOM 225 CB GLN A 16 -17.630 10.649 -1.667 1.00 0.00 C ATOM 226 CG GLN A 16 -18.033 10.908 -0.214 1.00 0.00 C ATOM 227 CD GLN A 16 -18.924 12.146 -0.105 1.00 0.00 C ATOM 228 OE1 GLN A 16 -20.009 12.115 0.454 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.408 13.236 -0.667 1.00 0.00 N ATOM 0 H GLN A 16 -19.558 8.399 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.093 10.291 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.639 10.197 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.566 11.595 -2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.561 10.040 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.140 11.043 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.494 13.193 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.926 14.114 -0.646 1.00 0.00 H new ATOM 238 N PRO A 17 -18.283 8.212 -4.209 1.00 0.00 N ATOM 239 CA PRO A 17 -17.749 7.098 -4.963 1.00 0.00 C ATOM 240 C PRO A 17 -16.378 7.465 -5.515 1.00 0.00 C ATOM 241 O PRO A 17 -16.247 8.529 -6.118 1.00 0.00 O ATOM 242 CB PRO A 17 -18.751 6.873 -6.093 1.00 0.00 C ATOM 243 CG PRO A 17 -19.292 8.255 -6.342 1.00 0.00 C ATOM 244 CD PRO A 17 -19.232 8.972 -4.995 1.00 0.00 C ATOM 0 HA PRO A 17 -17.619 6.200 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.272 6.460 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.538 6.177 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.698 8.779 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.314 8.213 -6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.909 10.006 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.211 8.996 -4.517 1.00 0.00 H new ATOM 252 N VAL A 18 -15.401 6.597 -5.302 1.00 0.00 N ATOM 253 CA VAL A 18 -14.054 6.854 -5.785 1.00 0.00 C ATOM 254 C VAL A 18 -13.499 5.583 -6.431 1.00 0.00 C ATOM 255 O VAL A 18 -13.311 4.571 -5.757 1.00 0.00 O ATOM 256 CB VAL A 18 -13.179 7.376 -4.644 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.760 7.673 -5.133 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.805 8.612 -3.994 1.00 0.00 C ATOM 0 H VAL A 18 -15.514 5.715 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.064 7.631 -6.550 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.116 6.595 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.159 8.043 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.312 6.761 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.796 8.428 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.163 8.963 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.913 9.400 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.785 8.355 -3.593 1.00 0.00 H new ATOM 268 N VAL A 19 -13.251 5.677 -7.729 1.00 0.00 N ATOM 269 CA VAL A 19 -12.721 4.547 -8.474 1.00 0.00 C ATOM 270 C VAL A 19 -11.199 4.512 -8.322 1.00 0.00 C ATOM 271 O VAL A 19 -10.557 5.556 -8.218 1.00 0.00 O ATOM 272 CB VAL A 19 -13.175 4.622 -9.933 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.142 5.354 -10.792 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.462 3.227 -10.490 1.00 0.00 C ATOM 0 H VAL A 19 -13.407 6.518 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.110 3.610 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.103 5.193 -9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.489 5.393 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.008 6.368 -10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.191 4.823 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.783 3.309 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.558 2.621 -10.436 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.250 2.756 -9.903 1.00 0.00 H new ATOM 284 N PHE A 20 -10.665 3.299 -8.315 1.00 0.00 N ATOM 285 CA PHE A 20 -9.230 3.114 -8.178 1.00 0.00 C ATOM 286 C PHE A 20 -8.760 1.881 -8.953 1.00 0.00 C ATOM 287 O PHE A 20 -9.156 0.759 -8.641 1.00 0.00 O ATOM 288 CB PHE A 20 -8.947 2.904 -6.689 1.00 0.00 C ATOM 289 CG PHE A 20 -7.792 1.941 -6.405 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.017 0.601 -6.371 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.540 2.427 -6.187 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.945 -0.293 -6.108 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.469 1.533 -5.923 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.694 0.192 -5.889 1.00 0.00 C ATOM 0 H PHE A 20 -11.200 2.435 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.703 3.982 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.723 3.868 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.849 2.525 -6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.011 0.216 -6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.361 3.492 -6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.124 -1.358 -6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.475 1.918 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.879 -0.487 -5.688 1.00 0.00 H new ATOM 304 N ASN A 21 -7.923 2.132 -9.948 1.00 0.00 N ATOM 305 CA ASN A 21 -7.394 1.056 -10.771 1.00 0.00 C ATOM 306 C ASN A 21 -6.026 0.634 -10.232 1.00 0.00 C ATOM 307 O ASN A 21 -5.175 1.473 -9.943 1.00 0.00 O ATOM 308 CB ASN A 21 -7.212 1.510 -12.220 1.00 0.00 C ATOM 309 CG ASN A 21 -8.430 2.298 -12.705 1.00 0.00 C ATOM 310 OD1 ASN A 21 -9.332 1.771 -13.336 1.00 0.00 O ATOM 311 ND2 ASN A 21 -8.406 3.587 -12.378 1.00 0.00 N ATOM 0 H ASN A 21 -7.597 3.064 -10.204 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.101 0.227 -10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.318 2.129 -12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.058 0.641 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.173 4.198 -12.657 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.620 3.964 -11.848 1.00 0.00 H new ATOM 318 N HIS A 22 -5.851 -0.683 -10.110 1.00 0.00 N ATOM 319 CA HIS A 22 -4.613 -1.274 -9.614 1.00 0.00 C ATOM 320 C HIS A 22 -3.466 -0.982 -10.598 1.00 0.00 C ATOM 321 O HIS A 22 -2.308 -0.897 -10.191 1.00 0.00 O ATOM 322 CB HIS A 22 -4.849 -2.767 -9.344 1.00 0.00 C ATOM 323 CG HIS A 22 -5.414 -3.132 -7.990 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.715 -3.362 -7.792 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.806 -3.299 -6.769 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.911 -3.661 -6.498 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.764 -3.636 -5.821 1.00 0.00 N ATOM 0 H HIS A 22 -6.566 -1.368 -10.353 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.310 -0.829 -8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.526 -3.148 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.900 -3.289 -9.469 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.441 -3.318 -8.507 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.749 -3.186 -6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.872 -3.892 -6.063 1.00 0.00 H new ATOM 335 N SER A 23 -3.828 -0.837 -11.864 1.00 0.00 N ATOM 336 CA SER A 23 -2.845 -0.557 -12.897 1.00 0.00 C ATOM 337 C SER A 23 -2.171 0.790 -12.627 1.00 0.00 C ATOM 338 O SER A 23 -0.972 0.944 -12.853 1.00 0.00 O ATOM 339 CB SER A 23 -3.488 -0.559 -14.285 1.00 0.00 C ATOM 340 OG SER A 23 -4.444 0.487 -14.432 1.00 0.00 O ATOM 0 H SER A 23 -4.789 -0.908 -12.198 1.00 0.00 H new ATOM 0 HA SER A 23 -2.092 -1.345 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.713 -0.451 -15.044 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.972 -1.520 -14.459 1.00 0.00 H new ATOM 0 HG SER A 23 -5.348 0.110 -14.408 1.00 0.00 H new ATOM 346 N THR A 24 -2.971 1.730 -12.147 1.00 0.00 N ATOM 347 CA THR A 24 -2.467 3.059 -11.843 1.00 0.00 C ATOM 348 C THR A 24 -1.798 3.074 -10.468 1.00 0.00 C ATOM 349 O THR A 24 -1.340 4.115 -10.001 1.00 0.00 O ATOM 350 CB THR A 24 -3.631 4.045 -11.964 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.671 3.451 -11.193 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.205 4.103 -13.381 1.00 0.00 C ATOM 0 H THR A 24 -3.965 1.598 -11.961 1.00 0.00 H new ATOM 0 HA THR A 24 -1.693 3.360 -12.549 1.00 0.00 H new ATOM 0 HB THR A 24 -3.296 5.039 -11.667 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.315 2.681 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.028 4.817 -13.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.426 4.417 -14.076 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.570 3.116 -13.666 1.00 0.00 H new ATOM 360 N HIS A 25 -1.761 1.895 -9.846 1.00 0.00 N ATOM 361 CA HIS A 25 -1.163 1.713 -8.528 1.00 0.00 C ATOM 362 C HIS A 25 -0.543 0.308 -8.427 1.00 0.00 C ATOM 363 O HIS A 25 -0.784 -0.406 -7.455 1.00 0.00 O ATOM 364 CB HIS A 25 -2.221 2.015 -7.457 1.00 0.00 C ATOM 365 CG HIS A 25 -2.775 3.421 -7.426 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.766 3.822 -8.228 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.440 4.510 -6.658 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.038 5.111 -7.970 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.248 5.585 -7.009 1.00 0.00 N ATOM 0 H HIS A 25 -2.146 1.039 -10.245 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.342 2.411 -8.362 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.053 1.325 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.788 1.799 -6.480 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.238 3.243 -8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.670 4.528 -5.901 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.798 5.688 -8.476 1.00 0.00 H new ATOM 377 N LYS A 26 0.239 -0.041 -9.439 1.00 0.00 N ATOM 378 CA LYS A 26 0.888 -1.341 -9.469 1.00 0.00 C ATOM 379 C LYS A 26 2.368 -1.175 -9.116 1.00 0.00 C ATOM 380 O LYS A 26 3.067 -2.159 -8.879 1.00 0.00 O ATOM 381 CB LYS A 26 0.650 -2.027 -10.816 1.00 0.00 C ATOM 382 CG LYS A 26 1.371 -1.286 -11.944 1.00 0.00 C ATOM 383 CD LYS A 26 2.700 -1.964 -12.284 1.00 0.00 C ATOM 384 CE LYS A 26 2.522 -2.983 -13.411 1.00 0.00 C ATOM 385 NZ LYS A 26 3.651 -3.940 -13.428 1.00 0.00 N ATOM 0 H LYS A 26 0.437 0.554 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 26 0.453 -2.002 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.002 -3.058 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.419 -2.064 -11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.736 -1.258 -12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.551 -0.253 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.431 -1.212 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.096 -2.461 -11.398 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.583 -3.521 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.460 -2.467 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.514 -4.625 -14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.541 -3.424 -13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.692 -4.445 -12.520 1.00 0.00 H new ATOM 399 N SER A 27 2.801 0.077 -9.092 1.00 0.00 N ATOM 400 CA SER A 27 4.185 0.384 -8.772 1.00 0.00 C ATOM 401 C SER A 27 4.323 0.678 -7.277 1.00 0.00 C ATOM 402 O SER A 27 5.254 1.363 -6.859 1.00 0.00 O ATOM 403 CB SER A 27 4.690 1.571 -9.595 1.00 0.00 C ATOM 404 OG SER A 27 3.663 2.528 -9.839 1.00 0.00 O ATOM 0 H SER A 27 2.218 0.891 -9.289 1.00 0.00 H new ATOM 0 HA SER A 27 4.795 -0.484 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.515 2.051 -9.069 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.084 1.211 -10.546 1.00 0.00 H new ATOM 0 HG SER A 27 4.026 3.270 -10.366 1.00 0.00 H new ATOM 410 N VAL A 28 3.382 0.144 -6.512 1.00 0.00 N ATOM 411 CA VAL A 28 3.387 0.340 -5.072 1.00 0.00 C ATOM 412 C VAL A 28 3.169 -1.006 -4.378 1.00 0.00 C ATOM 413 O VAL A 28 2.324 -1.796 -4.798 1.00 0.00 O ATOM 414 CB VAL A 28 2.344 1.389 -4.683 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.112 1.397 -3.171 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.751 2.777 -5.183 1.00 0.00 C ATOM 0 H VAL A 28 2.611 -0.424 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 28 4.352 0.723 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 28 1.403 1.122 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.366 2.152 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.757 0.417 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.047 1.628 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.993 3.505 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.708 3.056 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.842 2.760 -6.269 1.00 0.00 H new ATOM 426 N LYS A 29 3.945 -1.226 -3.327 1.00 0.00 N ATOM 427 CA LYS A 29 3.847 -2.463 -2.570 1.00 0.00 C ATOM 428 C LYS A 29 2.409 -2.641 -2.076 1.00 0.00 C ATOM 429 O LYS A 29 1.818 -1.712 -1.528 1.00 0.00 O ATOM 430 CB LYS A 29 4.889 -2.490 -1.451 1.00 0.00 C ATOM 431 CG LYS A 29 5.394 -3.913 -1.206 1.00 0.00 C ATOM 432 CD LYS A 29 5.524 -4.199 0.291 1.00 0.00 C ATOM 433 CE LYS A 29 6.994 -4.273 0.710 1.00 0.00 C ATOM 434 NZ LYS A 29 7.198 -5.358 1.696 1.00 0.00 N ATOM 0 H LYS A 29 4.644 -0.569 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 29 4.074 -3.318 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.726 -1.843 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.454 -2.092 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.708 -4.629 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.361 -4.048 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.019 -3.418 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.026 -5.139 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.620 -4.447 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.304 -3.320 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.201 -5.394 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.616 -5.176 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.921 -6.267 1.274 1.00 0.00 H new ATOM 448 N CYS A 30 1.889 -3.841 -2.288 1.00 0.00 N ATOM 449 CA CYS A 30 0.533 -4.153 -1.871 1.00 0.00 C ATOM 450 C CYS A 30 0.405 -3.841 -0.379 1.00 0.00 C ATOM 451 O CYS A 30 -0.690 -3.573 0.112 1.00 0.00 O ATOM 452 CB CYS A 30 0.164 -5.604 -2.184 1.00 0.00 C ATOM 453 SG CYS A 30 0.853 -6.250 -3.752 1.00 0.00 S ATOM 0 H CYS A 30 2.383 -4.609 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.172 -3.539 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.507 -6.236 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.922 -5.689 -2.219 1.00 0.00 H new ATOM 458 N GLY A 31 1.541 -3.886 0.302 1.00 0.00 N ATOM 459 CA GLY A 31 1.570 -3.612 1.729 1.00 0.00 C ATOM 460 C GLY A 31 1.394 -2.118 2.003 1.00 0.00 C ATOM 461 O GLY A 31 1.348 -1.696 3.158 1.00 0.00 O ATOM 0 H GLY A 31 2.448 -4.108 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.779 -4.172 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.516 -3.954 2.150 1.00 0.00 H new ATOM 465 N ASP A 32 1.299 -1.357 0.923 1.00 0.00 N ATOM 466 CA ASP A 32 1.128 0.082 1.033 1.00 0.00 C ATOM 467 C ASP A 32 -0.353 0.401 1.244 1.00 0.00 C ATOM 468 O ASP A 32 -0.693 1.354 1.944 1.00 0.00 O ATOM 469 CB ASP A 32 1.588 0.790 -0.243 1.00 0.00 C ATOM 470 CG ASP A 32 2.022 2.245 -0.054 1.00 0.00 C ATOM 471 OD1 ASP A 32 2.810 2.484 0.887 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.557 3.085 -0.855 1.00 0.00 O ATOM 0 H ASP A 32 1.337 -1.710 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 32 1.728 0.430 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.420 0.231 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.776 0.760 -0.970 1.00 0.00 H new ATOM 477 N CYS A 33 -1.195 -0.414 0.626 1.00 0.00 N ATOM 478 CA CYS A 33 -2.632 -0.231 0.737 1.00 0.00 C ATOM 479 C CYS A 33 -3.191 -1.344 1.625 1.00 0.00 C ATOM 480 O CYS A 33 -4.015 -1.096 2.503 1.00 0.00 O ATOM 481 CB CYS A 33 -3.307 -0.204 -0.636 1.00 0.00 C ATOM 482 SG CYS A 33 -3.465 1.523 -1.222 1.00 0.00 S ATOM 0 H CYS A 33 -0.909 -1.203 0.046 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.843 0.737 1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.723 -0.787 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.292 -0.668 -0.576 1.00 0.00 H new ATOM 487 N HIS A 34 -2.717 -2.563 1.367 1.00 0.00 N ATOM 488 CA HIS A 34 -3.132 -3.748 2.109 1.00 0.00 C ATOM 489 C HIS A 34 -2.142 -4.016 3.258 1.00 0.00 C ATOM 490 O HIS A 34 -1.248 -4.849 3.129 1.00 0.00 O ATOM 491 CB HIS A 34 -3.294 -4.918 1.128 1.00 0.00 C ATOM 492 CG HIS A 34 -4.240 -4.707 -0.032 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.569 -4.725 0.112 1.00 0.00 N ATOM 494 CD2 HIS A 34 -4.002 -4.472 -1.365 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.137 -4.510 -1.085 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.214 -4.347 -2.032 1.00 0.00 N ATOM 0 H HIS A 34 -2.033 -2.754 0.635 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.102 -3.602 2.583 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.311 -5.162 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.634 -5.788 1.690 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.069 -4.877 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.026 -4.396 -1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.202 -4.474 -1.258 1.00 0.00 H new ATOM 504 N HIS A 35 -2.338 -3.292 4.360 1.00 0.00 N ATOM 505 CA HIS A 35 -1.498 -3.414 5.546 1.00 0.00 C ATOM 506 C HIS A 35 -1.935 -4.640 6.369 1.00 0.00 C ATOM 507 O HIS A 35 -3.064 -5.115 6.273 1.00 0.00 O ATOM 508 CB HIS A 35 -1.535 -2.088 6.320 1.00 0.00 C ATOM 509 CG HIS A 35 -2.770 -1.819 7.149 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.063 -2.515 8.251 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.782 -0.901 6.996 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.213 -2.050 8.765 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.699 -1.052 8.029 1.00 0.00 N ATOM 0 H HIS A 35 -3.085 -2.604 4.453 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.456 -3.592 5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.668 -2.055 6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.421 -1.273 5.605 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.504 -3.275 8.639 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.853 -0.176 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.682 -2.435 9.658 1.00 0.00 H new ATOM 521 N PRO A 36 -1.005 -5.140 7.186 1.00 0.00 N ATOM 522 CA PRO A 36 -1.206 -6.285 8.048 1.00 0.00 C ATOM 523 C PRO A 36 -2.245 -5.949 9.108 1.00 0.00 C ATOM 524 O PRO A 36 -2.183 -4.859 9.676 1.00 0.00 O ATOM 525 CB PRO A 36 0.159 -6.543 8.681 1.00 0.00 C ATOM 526 CG PRO A 36 1.162 -5.760 7.884 1.00 0.00 C ATOM 527 CD PRO A 36 0.333 -4.606 7.325 1.00 0.00 C ATOM 0 HA PRO A 36 -1.570 -7.161 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.166 -6.230 9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.398 -7.606 8.665 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.982 -5.403 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.604 -6.361 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.348 -3.748 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.724 -4.267 6.366 1.00 0.00 H new ATOM 535 N VAL A 37 -3.165 -6.871 9.352 1.00 0.00 N ATOM 536 CA VAL A 37 -4.202 -6.649 10.345 1.00 0.00 C ATOM 537 C VAL A 37 -4.366 -7.910 11.196 1.00 0.00 C ATOM 538 O VAL A 37 -3.904 -7.958 12.335 1.00 0.00 O ATOM 539 CB VAL A 37 -5.500 -6.219 9.658 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.466 -5.583 10.659 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.215 -5.270 8.492 1.00 0.00 C ATOM 0 H VAL A 37 -3.214 -7.773 8.879 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.920 -5.838 11.017 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.977 -7.112 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.380 -5.287 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.707 -6.304 11.440 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.000 -4.705 11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.154 -4.980 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.705 -4.381 8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.582 -5.772 7.760 1.00 0.00 H new ATOM 551 N ASN A 38 -5.024 -8.899 10.611 1.00 0.00 N ATOM 552 CA ASN A 38 -5.254 -10.157 11.302 1.00 0.00 C ATOM 553 C ASN A 38 -3.964 -10.979 11.299 1.00 0.00 C ATOM 554 O ASN A 38 -3.899 -12.037 10.675 1.00 0.00 O ATOM 555 CB ASN A 38 -6.340 -10.978 10.603 1.00 0.00 C ATOM 556 CG ASN A 38 -7.700 -10.773 11.273 1.00 0.00 C ATOM 557 OD1 ASN A 38 -8.472 -11.697 11.466 1.00 0.00 O ATOM 558 ND2 ASN A 38 -7.948 -9.512 11.616 1.00 0.00 N ATOM 0 H ASN A 38 -5.406 -8.855 9.666 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.572 -9.930 12.320 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.400 -10.689 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.074 -12.035 10.628 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.829 -9.271 12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.257 -8.786 11.425 1.00 0.00 H new ATOM 565 N GLY A 39 -2.968 -10.461 12.003 1.00 0.00 N ATOM 566 CA GLY A 39 -1.684 -11.133 12.090 1.00 0.00 C ATOM 567 C GLY A 39 -1.269 -11.700 10.731 1.00 0.00 C ATOM 568 O GLY A 39 -0.564 -12.706 10.662 1.00 0.00 O ATOM 0 H GLY A 39 -3.025 -9.583 12.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.926 -10.433 12.443 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.740 -11.938 12.822 1.00 0.00 H new ATOM 572 N LYS A 40 -1.724 -11.030 9.682 1.00 0.00 N ATOM 573 CA LYS A 40 -1.408 -11.454 8.328 1.00 0.00 C ATOM 574 C LYS A 40 -1.999 -10.452 7.334 1.00 0.00 C ATOM 575 O LYS A 40 -3.146 -10.031 7.478 1.00 0.00 O ATOM 576 CB LYS A 40 -1.870 -12.894 8.097 1.00 0.00 C ATOM 577 CG LYS A 40 -3.283 -12.930 7.513 1.00 0.00 C ATOM 578 CD LYS A 40 -4.004 -14.223 7.899 1.00 0.00 C ATOM 579 CE LYS A 40 -5.481 -14.166 7.506 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.817 -15.276 6.586 1.00 0.00 N ATOM 0 H LYS A 40 -2.309 -10.197 9.742 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.329 -11.460 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.180 -13.397 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.848 -13.442 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.851 -12.072 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.234 -12.847 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.526 -15.071 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.916 -14.386 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.103 -14.225 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.699 -13.211 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.823 -15.222 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.236 -15.202 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.628 -16.185 7.055 1.00 0.00 H new ATOM 594 N GLU A 41 -1.188 -10.098 6.348 1.00 0.00 N ATOM 595 CA GLU A 41 -1.615 -9.153 5.330 1.00 0.00 C ATOM 596 C GLU A 41 -3.099 -9.349 5.013 1.00 0.00 C ATOM 597 O GLU A 41 -3.506 -10.422 4.569 1.00 0.00 O ATOM 598 CB GLU A 41 -0.763 -9.285 4.067 1.00 0.00 C ATOM 599 CG GLU A 41 0.515 -8.450 4.178 1.00 0.00 C ATOM 600 CD GLU A 41 1.529 -8.854 3.106 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.336 -9.762 3.401 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.474 -8.246 2.015 1.00 0.00 O ATOM 0 H GLU A 41 -0.237 -10.449 6.232 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.476 -8.144 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.505 -10.332 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.339 -8.961 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.273 -7.392 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.954 -8.581 5.167 1.00 0.00 H new ATOM 609 N ASP A 42 -3.867 -8.297 5.254 1.00 0.00 N ATOM 610 CA ASP A 42 -5.297 -8.340 4.999 1.00 0.00 C ATOM 611 C ASP A 42 -5.595 -7.648 3.668 1.00 0.00 C ATOM 612 O ASP A 42 -4.966 -6.662 3.289 1.00 0.00 O ATOM 613 CB ASP A 42 -6.074 -7.609 6.096 1.00 0.00 C ATOM 614 CG ASP A 42 -6.716 -8.515 7.148 1.00 0.00 C ATOM 615 OD1 ASP A 42 -5.961 -9.306 7.753 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.949 -8.397 7.322 1.00 0.00 O ATOM 0 H ASP A 42 -3.526 -7.409 5.623 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.604 -9.386 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.399 -6.916 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.856 -7.010 5.629 1.00 0.00 H new ATOM 621 N TYR A 43 -6.583 -8.196 2.956 1.00 0.00 N ATOM 622 CA TYR A 43 -6.986 -7.660 1.672 1.00 0.00 C ATOM 623 C TYR A 43 -8.500 -7.508 1.628 1.00 0.00 C ATOM 624 O TYR A 43 -9.066 -7.511 0.536 1.00 0.00 O ATOM 625 CB TYR A 43 -6.503 -8.588 0.561 1.00 0.00 C ATOM 626 CG TYR A 43 -5.073 -8.338 0.146 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.037 -8.496 1.074 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.783 -7.947 -1.167 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.711 -8.264 0.689 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.457 -7.715 -1.552 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.421 -7.873 -0.623 1.00 0.00 C ATOM 632 OH TYR A 43 -1.129 -7.647 -0.998 1.00 0.00 O ATOM 0 H TYR A 43 -7.115 -9.013 3.256 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.538 -6.677 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.601 -9.621 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.151 -8.470 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.260 -8.797 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.582 -7.824 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.912 -8.387 1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.233 -7.414 -2.565 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.938 -8.138 -1.824 1.00 0.00 H new ATOM 642 N ARG A 44 -9.117 -7.379 2.793 1.00 0.00 N ATOM 643 CA ARG A 44 -10.561 -7.228 2.862 1.00 0.00 C ATOM 644 C ARG A 44 -10.941 -5.746 2.834 1.00 0.00 C ATOM 645 O ARG A 44 -10.080 -4.878 2.966 1.00 0.00 O ATOM 646 CB ARG A 44 -11.121 -7.867 4.134 1.00 0.00 C ATOM 647 CG ARG A 44 -10.193 -8.970 4.648 1.00 0.00 C ATOM 648 CD ARG A 44 -10.913 -9.864 5.660 1.00 0.00 C ATOM 649 NE ARG A 44 -9.923 -10.580 6.497 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.191 -11.088 7.718 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.423 -10.964 8.257 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.231 -11.708 8.378 1.00 0.00 N ATOM 0 H ARG A 44 -8.644 -7.376 3.697 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.989 -7.733 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.247 -7.105 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.108 -8.282 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.840 -9.573 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.314 -8.524 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.566 -9.261 6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.547 -10.581 5.138 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.979 -10.696 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.160 -10.483 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.617 -11.351 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.303 -11.797 7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.417 -12.098 9.302 1.00 0.00 H new ATOM 665 N LYS A 45 -12.232 -5.503 2.661 1.00 0.00 N ATOM 666 CA LYS A 45 -12.737 -4.141 2.615 1.00 0.00 C ATOM 667 C LYS A 45 -12.000 -3.293 3.653 1.00 0.00 C ATOM 668 O LYS A 45 -11.888 -3.685 4.814 1.00 0.00 O ATOM 669 CB LYS A 45 -14.258 -4.128 2.777 1.00 0.00 C ATOM 670 CG LYS A 45 -14.915 -5.175 1.876 1.00 0.00 C ATOM 671 CD LYS A 45 -16.260 -4.676 1.344 1.00 0.00 C ATOM 672 CE LYS A 45 -16.848 -5.659 0.331 1.00 0.00 C ATOM 673 NZ LYS A 45 -18.128 -5.146 -0.206 1.00 0.00 N ATOM 0 H LYS A 45 -12.943 -6.226 2.551 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.540 -3.694 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.518 -4.324 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.645 -3.139 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.254 -5.408 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.061 -6.100 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.956 -4.542 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.130 -3.700 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.142 -5.816 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.008 -6.627 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.514 -5.826 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.805 -5.019 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.966 -4.233 -0.677 1.00 0.00 H new ATOM 687 N CYS A 46 -11.517 -2.146 3.199 1.00 0.00 N ATOM 688 CA CYS A 46 -10.794 -1.239 4.074 1.00 0.00 C ATOM 689 C CYS A 46 -11.627 -1.028 5.340 1.00 0.00 C ATOM 690 O CYS A 46 -11.087 -1.002 6.445 1.00 0.00 O ATOM 691 CB CYS A 46 -10.472 0.084 3.376 1.00 0.00 C ATOM 692 SG CYS A 46 -9.078 0.007 2.193 1.00 0.00 S ATOM 0 H CYS A 46 -11.612 -1.824 2.236 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.832 -1.677 4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.361 0.425 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.246 0.833 4.135 1.00 0.00 H new ATOM 697 N GLY A 47 -12.928 -0.883 5.137 1.00 0.00 N ATOM 698 CA GLY A 47 -13.840 -0.675 6.249 1.00 0.00 C ATOM 699 C GLY A 47 -14.217 -2.005 6.904 1.00 0.00 C ATOM 700 O GLY A 47 -13.514 -2.485 7.792 1.00 0.00 O ATOM 0 H GLY A 47 -13.372 -0.905 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.376 -0.021 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.740 -0.171 5.897 1.00 0.00 H new ATOM 704 N THR A 48 -15.326 -2.563 6.441 1.00 0.00 N ATOM 705 CA THR A 48 -15.806 -3.828 6.972 1.00 0.00 C ATOM 706 C THR A 48 -15.974 -3.740 8.490 1.00 0.00 C ATOM 707 O THR A 48 -15.268 -2.982 9.154 1.00 0.00 O ATOM 708 CB THR A 48 -14.834 -4.924 6.531 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.620 -5.768 5.694 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.412 -5.833 7.687 1.00 0.00 C ATOM 0 H THR A 48 -15.906 -2.162 5.704 1.00 0.00 H new ATOM 0 HA THR A 48 -16.794 -4.072 6.581 1.00 0.00 H new ATOM 0 HB THR A 48 -13.949 -4.467 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.067 -6.506 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.722 -6.593 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.920 -5.238 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.293 -6.316 8.110 1.00 0.00 H new ATOM 718 N ALA A 49 -16.914 -4.525 8.995 1.00 0.00 N ATOM 719 CA ALA A 49 -17.184 -4.546 10.423 1.00 0.00 C ATOM 720 C ALA A 49 -16.010 -5.206 11.150 1.00 0.00 C ATOM 721 O ALA A 49 -15.691 -6.367 10.896 1.00 0.00 O ATOM 722 CB ALA A 49 -18.509 -5.266 10.682 1.00 0.00 C ATOM 0 H ALA A 49 -17.498 -5.151 8.441 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.283 -3.532 10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.711 -5.282 11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.315 -4.742 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.446 -6.289 10.310 1.00 0.00 H new ATOM 728 N GLY A 50 -15.400 -4.438 12.041 1.00 0.00 N ATOM 729 CA GLY A 50 -14.269 -4.934 12.807 1.00 0.00 C ATOM 730 C GLY A 50 -13.033 -4.059 12.588 1.00 0.00 C ATOM 731 O GLY A 50 -12.031 -4.209 13.286 1.00 0.00 O ATOM 0 H GLY A 50 -15.668 -3.476 12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.523 -4.952 13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.049 -5.961 12.514 1.00 0.00 H new ATOM 735 N CYS A 51 -13.145 -3.165 11.617 1.00 0.00 N ATOM 736 CA CYS A 51 -12.049 -2.266 11.298 1.00 0.00 C ATOM 737 C CYS A 51 -12.614 -0.851 11.159 1.00 0.00 C ATOM 738 O CYS A 51 -13.472 -0.435 11.935 1.00 0.00 O ATOM 739 CB CYS A 51 -11.303 -2.709 10.038 1.00 0.00 C ATOM 740 SG CYS A 51 -11.108 -4.529 10.034 1.00 0.00 S ATOM 0 H CYS A 51 -13.978 -3.044 11.041 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.313 -2.285 12.102 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.851 -2.392 9.151 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.325 -2.230 9.997 1.00 0.00 H new ATOM 745 N HIS A 52 -12.105 -0.138 10.153 1.00 0.00 N ATOM 746 CA HIS A 52 -12.520 1.230 9.864 1.00 0.00 C ATOM 747 C HIS A 52 -14.022 1.258 9.525 1.00 0.00 C ATOM 748 O HIS A 52 -14.390 1.374 8.357 1.00 0.00 O ATOM 749 CB HIS A 52 -11.614 1.803 8.764 1.00 0.00 C ATOM 750 CG HIS A 52 -10.125 1.611 8.943 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.396 2.369 9.767 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.252 0.717 8.372 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.117 1.964 9.712 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.973 0.946 8.865 1.00 0.00 N ATOM 0 H HIS A 52 -11.393 -0.496 9.517 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.401 1.875 10.735 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.904 1.352 7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.812 2.872 8.682 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.753 3.131 10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.518 -0.044 7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.311 2.405 10.280 1.00 0.00 H new ATOM 762 N ASP A 53 -14.839 1.151 10.562 1.00 0.00 N ATOM 763 CA ASP A 53 -16.281 1.164 10.383 1.00 0.00 C ATOM 764 C ASP A 53 -16.838 2.506 10.865 1.00 0.00 C ATOM 765 O ASP A 53 -18.014 2.604 11.212 1.00 0.00 O ATOM 766 CB ASP A 53 -16.948 0.055 11.199 1.00 0.00 C ATOM 767 CG ASP A 53 -17.141 0.372 12.684 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.128 0.309 13.414 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.297 0.669 13.055 1.00 0.00 O ATOM 0 H ASP A 53 -14.530 1.055 11.529 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.491 1.008 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.921 -0.163 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.348 -0.851 11.111 1.00 0.00 H new ATOM 774 N SER A 54 -15.968 3.504 10.869 1.00 0.00 N ATOM 775 CA SER A 54 -16.358 4.835 11.302 1.00 0.00 C ATOM 776 C SER A 54 -16.416 5.780 10.100 1.00 0.00 C ATOM 777 O SER A 54 -15.436 5.923 9.370 1.00 0.00 O ATOM 778 CB SER A 54 -15.392 5.377 12.357 1.00 0.00 C ATOM 779 OG SER A 54 -16.008 6.349 13.197 1.00 0.00 O ATOM 0 H SER A 54 -14.994 3.418 10.579 1.00 0.00 H new ATOM 0 HA SER A 54 -17.348 4.771 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.022 4.553 12.967 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.528 5.821 11.863 1.00 0.00 H new ATOM 0 HG SER A 54 -15.359 6.669 13.858 1.00 0.00 H new ATOM 785 N MET A 55 -17.574 6.402 9.932 1.00 0.00 N ATOM 786 CA MET A 55 -17.772 7.330 8.832 1.00 0.00 C ATOM 787 C MET A 55 -18.330 8.664 9.332 1.00 0.00 C ATOM 788 O MET A 55 -19.390 9.103 8.890 1.00 0.00 O ATOM 789 CB MET A 55 -18.742 6.720 7.818 1.00 0.00 C ATOM 790 CG MET A 55 -18.383 5.261 7.525 1.00 0.00 C ATOM 791 SD MET A 55 -18.362 4.979 5.763 1.00 0.00 S ATOM 792 CE MET A 55 -18.160 3.206 5.735 1.00 0.00 C ATOM 0 H MET A 55 -18.384 6.281 10.539 1.00 0.00 H new ATOM 0 HA MET A 55 -16.807 7.515 8.361 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.760 6.778 8.203 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.718 7.297 6.894 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.408 5.025 7.951 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.106 4.598 7.999 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.127 2.860 4.702 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.231 2.938 6.237 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.999 2.736 6.249 1.00 0.00 H new ATOM 802 N ASP A 56 -17.590 9.271 10.248 1.00 0.00 N ATOM 803 CA ASP A 56 -17.997 10.546 10.814 1.00 0.00 C ATOM 804 C ASP A 56 -16.904 11.586 10.556 1.00 0.00 C ATOM 805 O ASP A 56 -16.004 11.358 9.748 1.00 0.00 O ATOM 806 CB ASP A 56 -18.198 10.438 12.327 1.00 0.00 C ATOM 807 CG ASP A 56 -19.321 11.309 12.893 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.473 11.106 12.454 1.00 0.00 O ATOM 809 OD2 ASP A 56 -19.001 12.159 13.753 1.00 0.00 O ATOM 0 H ASP A 56 -16.711 8.904 10.612 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.936 10.838 10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.404 9.397 12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.265 10.707 12.823 1.00 0.00 H new ATOM 814 N LYS A 57 -17.019 12.705 11.256 1.00 0.00 N ATOM 815 CA LYS A 57 -16.053 13.780 11.112 1.00 0.00 C ATOM 816 C LYS A 57 -15.824 14.439 12.474 1.00 0.00 C ATOM 817 O LYS A 57 -16.604 15.293 12.893 1.00 0.00 O ATOM 818 CB LYS A 57 -16.497 14.758 10.023 1.00 0.00 C ATOM 819 CG LYS A 57 -15.294 15.292 9.242 1.00 0.00 C ATOM 820 CD LYS A 57 -14.495 14.148 8.615 1.00 0.00 C ATOM 821 CE LYS A 57 -13.720 14.630 7.387 1.00 0.00 C ATOM 822 NZ LYS A 57 -12.435 15.243 7.793 1.00 0.00 N ATOM 0 H LYS A 57 -17.767 12.890 11.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.092 13.386 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.186 14.260 9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.040 15.588 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.635 15.972 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.651 15.868 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.802 13.739 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.170 13.341 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.534 13.792 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.317 15.355 6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.751 15.163 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.586 16.247 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.065 14.750 8.631 1.00 0.00 H new ATOM 836 N LYS A 58 -14.750 14.019 13.126 1.00 0.00 N ATOM 837 CA LYS A 58 -14.409 14.557 14.432 1.00 0.00 C ATOM 838 C LYS A 58 -13.383 13.643 15.104 1.00 0.00 C ATOM 839 O LYS A 58 -12.436 14.119 15.729 1.00 0.00 O ATOM 840 CB LYS A 58 -15.672 14.783 15.265 1.00 0.00 C ATOM 841 CG LYS A 58 -15.353 14.756 16.762 1.00 0.00 C ATOM 842 CD LYS A 58 -16.254 15.723 17.532 1.00 0.00 C ATOM 843 CE LYS A 58 -16.028 15.601 19.040 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.385 14.243 19.509 1.00 0.00 N ATOM 0 H LYS A 58 -14.104 13.312 12.774 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.943 15.537 14.330 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.119 15.742 15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.408 14.014 15.032 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.485 13.745 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.308 15.023 16.920 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.053 16.745 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.299 15.516 17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.985 15.811 19.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.629 16.343 19.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.572 14.267 20.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.236 13.916 19.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.598 13.591 19.316 1.00 0.00 H new ATOM 858 N ASP A 59 -13.605 12.345 14.953 1.00 0.00 N ATOM 859 CA ASP A 59 -12.712 11.360 15.537 1.00 0.00 C ATOM 860 C ASP A 59 -11.576 11.063 14.557 1.00 0.00 C ATOM 861 O ASP A 59 -11.816 10.589 13.447 1.00 0.00 O ATOM 862 CB ASP A 59 -13.448 10.048 15.819 1.00 0.00 C ATOM 863 CG ASP A 59 -12.560 8.899 16.300 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.009 8.201 15.421 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.452 8.744 17.536 1.00 0.00 O ATOM 0 H ASP A 59 -14.391 11.953 14.434 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.327 11.766 16.472 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.215 10.234 16.571 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.962 9.734 14.910 1.00 0.00 H new ATOM 870 N LYS A 60 -10.362 11.353 15.002 1.00 0.00 N ATOM 871 CA LYS A 60 -9.188 11.123 14.177 1.00 0.00 C ATOM 872 C LYS A 60 -8.450 9.882 14.684 1.00 0.00 C ATOM 873 O LYS A 60 -7.234 9.912 14.872 1.00 0.00 O ATOM 874 CB LYS A 60 -8.316 12.379 14.125 1.00 0.00 C ATOM 875 CG LYS A 60 -8.546 13.153 12.825 1.00 0.00 C ATOM 876 CD LYS A 60 -8.201 14.633 13.000 1.00 0.00 C ATOM 877 CE LYS A 60 -6.942 14.806 13.851 1.00 0.00 C ATOM 878 NZ LYS A 60 -7.298 15.227 15.225 1.00 0.00 N ATOM 0 H LYS A 60 -10.166 11.745 15.923 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.479 10.922 13.146 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.542 13.019 14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.265 12.100 14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.935 12.725 12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.587 13.052 12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.050 15.093 12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.036 15.152 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.387 13.869 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.287 15.549 13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.051 16.229 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.320 15.100 15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.774 14.648 15.912 1.00 0.00 H new ATOM 892 N SER A 61 -9.215 8.821 14.890 1.00 0.00 N ATOM 893 CA SER A 61 -8.649 7.572 15.372 1.00 0.00 C ATOM 894 C SER A 61 -8.352 6.643 14.193 1.00 0.00 C ATOM 895 O SER A 61 -8.613 6.991 13.043 1.00 0.00 O ATOM 896 CB SER A 61 -9.591 6.887 16.364 1.00 0.00 C ATOM 897 OG SER A 61 -8.920 5.898 17.141 1.00 0.00 O ATOM 0 H SER A 61 -10.222 8.800 14.732 1.00 0.00 H new ATOM 0 HA SER A 61 -7.718 7.796 15.893 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.026 7.635 17.027 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.415 6.424 15.821 1.00 0.00 H new ATOM 0 HG SER A 61 -9.554 5.485 17.763 1.00 0.00 H new ATOM 903 N ALA A 62 -7.810 5.479 14.521 1.00 0.00 N ATOM 904 CA ALA A 62 -7.474 4.497 13.503 1.00 0.00 C ATOM 905 C ALA A 62 -8.757 3.835 12.998 1.00 0.00 C ATOM 906 O ALA A 62 -8.722 3.041 12.059 1.00 0.00 O ATOM 907 CB ALA A 62 -6.482 3.484 14.078 1.00 0.00 C ATOM 0 H ALA A 62 -7.595 5.194 15.476 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.992 4.976 12.651 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.230 2.748 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.577 4.001 14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.931 2.980 14.934 1.00 0.00 H new ATOM 913 N LYS A 63 -9.860 4.185 13.642 1.00 0.00 N ATOM 914 CA LYS A 63 -11.152 3.634 13.270 1.00 0.00 C ATOM 915 C LYS A 63 -11.814 4.549 12.238 1.00 0.00 C ATOM 916 O LYS A 63 -12.884 4.234 11.720 1.00 0.00 O ATOM 917 CB LYS A 63 -12.009 3.389 14.514 1.00 0.00 C ATOM 918 CG LYS A 63 -11.556 2.128 15.252 1.00 0.00 C ATOM 919 CD LYS A 63 -11.406 2.395 16.751 1.00 0.00 C ATOM 920 CE LYS A 63 -10.824 1.176 17.469 1.00 0.00 C ATOM 921 NZ LYS A 63 -10.505 1.506 18.876 1.00 0.00 N ATOM 0 H LYS A 63 -9.886 4.844 14.420 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.028 2.659 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.943 4.249 15.181 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.055 3.290 14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.280 1.329 15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.606 1.784 14.843 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.758 3.257 16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.377 2.644 17.179 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.537 0.352 17.435 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.924 0.840 16.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.111 0.667 19.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.808 2.278 18.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.371 1.805 19.367 1.00 0.00 H new ATOM 935 N GLY A 64 -11.149 5.663 11.969 1.00 0.00 N ATOM 936 CA GLY A 64 -11.659 6.625 11.008 1.00 0.00 C ATOM 937 C GLY A 64 -11.450 6.132 9.574 1.00 0.00 C ATOM 938 O GLY A 64 -10.336 5.862 9.133 1.00 0.00 O ATOM 0 H GLY A 64 -10.261 5.920 12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.721 6.795 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.156 7.582 11.144 1.00 0.00 H new ATOM 942 N TYR A 65 -12.565 6.020 8.848 1.00 0.00 N ATOM 943 CA TYR A 65 -12.537 5.565 7.473 1.00 0.00 C ATOM 944 C TYR A 65 -11.918 6.636 6.587 1.00 0.00 C ATOM 945 O TYR A 65 -10.982 6.363 5.838 1.00 0.00 O ATOM 946 CB TYR A 65 -13.957 5.240 7.017 1.00 0.00 C ATOM 947 CG TYR A 65 -14.010 4.405 5.760 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.999 3.473 5.496 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.071 4.561 4.860 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.049 2.698 4.331 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.120 3.786 3.695 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.109 2.854 3.431 1.00 0.00 C ATOM 953 OH TYR A 65 -14.158 2.099 2.296 1.00 0.00 O ATOM 0 H TYR A 65 -13.497 6.241 9.199 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.929 4.663 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.475 4.711 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.498 6.171 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.181 3.352 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.851 5.279 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.269 1.979 4.127 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.938 3.907 3.000 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.514 2.639 1.559 1.00 0.00 H new ATOM 963 N TYR A 66 -12.443 7.860 6.673 1.00 0.00 N ATOM 964 CA TYR A 66 -11.940 8.964 5.880 1.00 0.00 C ATOM 965 C TYR A 66 -10.647 9.490 6.486 1.00 0.00 C ATOM 966 O TYR A 66 -10.084 10.443 5.951 1.00 0.00 O ATOM 967 CB TYR A 66 -12.995 10.065 5.817 1.00 0.00 C ATOM 968 CG TYR A 66 -12.448 11.399 5.368 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.805 12.236 6.286 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.585 11.798 4.033 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.298 13.474 5.870 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.079 13.035 3.616 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.435 13.873 4.535 1.00 0.00 C ATOM 974 OH TYR A 66 -10.942 15.078 4.129 1.00 0.00 O ATOM 0 H TYR A 66 -13.219 8.104 7.289 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.729 8.622 4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.788 9.758 5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.448 10.180 6.802 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.699 11.928 7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.081 11.151 3.325 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.802 14.120 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.185 13.343 2.586 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.120 15.199 3.173 1.00 0.00 H new ATOM 984 N HIS A 67 -10.207 8.871 7.572 1.00 0.00 N ATOM 985 CA HIS A 67 -8.982 9.294 8.229 1.00 0.00 C ATOM 986 C HIS A 67 -7.833 8.372 7.816 1.00 0.00 C ATOM 987 O HIS A 67 -6.673 8.646 8.118 1.00 0.00 O ATOM 988 CB HIS A 67 -9.174 9.360 9.746 1.00 0.00 C ATOM 989 CG HIS A 67 -7.889 9.250 10.532 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.147 10.353 10.915 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.225 8.156 11.004 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.085 9.931 11.586 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.135 8.569 11.640 1.00 0.00 N ATOM 0 H HIS A 67 -10.677 8.080 8.013 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.724 10.304 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.664 10.300 10.000 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.845 8.558 10.052 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.378 11.326 10.715 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.533 7.128 10.881 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.315 10.556 12.015 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.448 7.967 12.094 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.197 7.297 7.132 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.212 6.332 6.675 1.00 0.00 C ATOM 1003 C VAL A 68 -7.118 6.389 5.149 1.00 0.00 C ATOM 1004 O VAL A 68 -6.584 5.476 4.521 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.561 4.938 7.200 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.440 4.881 8.725 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.958 4.514 6.745 1.00 0.00 C ATOM 0 H VAL A 68 -9.161 7.073 6.883 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.226 6.577 7.071 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.844 4.233 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.693 3.880 9.073 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.417 5.119 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.123 5.604 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.181 3.520 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.694 5.223 7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.996 4.496 5.656 1.00 0.00 H new ATOM 1017 N MET A 69 -7.646 7.472 4.596 1.00 0.00 N ATOM 1018 CA MET A 69 -7.629 7.660 3.155 1.00 0.00 C ATOM 1019 C MET A 69 -7.612 9.147 2.797 1.00 0.00 C ATOM 1020 O MET A 69 -8.074 9.544 1.729 1.00 0.00 O ATOM 1021 CB MET A 69 -8.864 7.000 2.539 1.00 0.00 C ATOM 1022 CG MET A 69 -9.856 6.573 3.624 1.00 0.00 C ATOM 1023 SD MET A 69 -11.069 5.459 2.937 1.00 0.00 S ATOM 1024 CE MET A 69 -10.392 3.896 3.472 1.00 0.00 C ATOM 0 H MET A 69 -8.088 8.228 5.120 1.00 0.00 H new ATOM 0 HA MET A 69 -6.724 7.199 2.758 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.348 7.695 1.852 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.563 6.131 1.954 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.325 6.086 4.442 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.351 7.450 4.042 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.925 3.082 2.981 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.335 3.848 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.502 3.803 4.552 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.068 9.943 3.718 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.963 11.388 3.554 1.00 0.00 C ATOM 1036 C HIS A 70 -5.794 11.925 4.400 1.00 0.00 C ATOM 1037 O HIS A 70 -4.772 12.337 3.852 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.322 12.025 3.879 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.466 11.699 2.947 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.223 10.607 3.090 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.958 12.363 1.848 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.150 10.591 2.119 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -11.031 11.653 1.324 1.00 0.00 N ATOM 0 H HIS A 70 -6.688 9.600 4.600 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.730 11.656 2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.607 11.722 4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.195 13.107 3.896 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.114 9.901 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.571 13.291 1.454 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.895 9.818 1.998 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.984 11.901 5.711 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.960 12.377 6.625 1.00 0.00 C ATOM 1053 C ASP A 71 -3.603 11.809 6.204 1.00 0.00 C ATOM 1054 O ASP A 71 -3.534 10.743 5.594 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.242 11.916 8.056 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.866 12.977 8.966 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.635 14.172 8.684 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.558 12.568 9.922 1.00 0.00 O ATOM 0 H ASP A 71 -6.833 11.559 6.162 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.957 13.466 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.907 11.053 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.307 11.579 8.504 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.557 12.546 6.547 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.206 12.129 6.212 1.00 0.00 C ATOM 1065 C LYS A 72 -0.410 11.912 7.501 1.00 0.00 C ATOM 1066 O LYS A 72 0.740 11.477 7.459 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.559 13.129 5.251 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.462 14.517 5.887 1.00 0.00 C ATOM 1069 CD LYS A 72 0.634 15.351 5.221 1.00 0.00 C ATOM 1070 CE LYS A 72 1.977 15.157 5.928 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.096 15.446 5.004 1.00 0.00 N ATOM 0 H LYS A 72 -2.618 13.429 7.053 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.222 11.177 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.436 12.781 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.143 13.186 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.420 15.030 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.252 14.419 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.726 15.066 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.357 16.405 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.036 15.814 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.056 14.134 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.000 15.309 5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.048 14.802 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.028 16.430 4.673 1.00 0.00 H new ATOM 1085 N ASN A 73 -1.054 12.225 8.616 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.420 12.069 9.915 1.00 0.00 C ATOM 1087 C ASN A 73 -0.853 10.738 10.532 1.00 0.00 C ATOM 1088 O ASN A 73 -1.267 10.692 11.689 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.837 13.190 10.868 1.00 0.00 C ATOM 1090 CG ASN A 73 -0.017 14.457 10.617 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.189 14.421 10.435 1.00 0.00 O ATOM 1092 ND2 ASN A 73 -0.736 15.576 10.617 1.00 0.00 N ATOM 0 H ASN A 73 -2.008 12.586 8.647 1.00 0.00 H new ATOM 0 HA ASN A 73 0.660 12.101 9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.897 13.407 10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.703 12.864 11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.281 16.475 10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.743 15.535 10.776 1.00 0.00 H new ATOM 1099 N THR A 74 -0.742 9.687 9.732 1.00 0.00 N ATOM 1100 CA THR A 74 -1.116 8.358 10.186 1.00 0.00 C ATOM 1101 C THR A 74 0.087 7.415 10.124 1.00 0.00 C ATOM 1102 O THR A 74 1.087 7.721 9.477 1.00 0.00 O ATOM 1103 CB THR A 74 -2.302 7.887 9.342 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.883 8.113 7.998 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.531 8.785 9.505 1.00 0.00 C ATOM 0 H THR A 74 -0.398 9.729 8.773 1.00 0.00 H new ATOM 0 HA THR A 74 -1.426 8.369 11.231 1.00 0.00 H new ATOM 0 HB THR A 74 -2.560 6.865 9.618 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.476 7.296 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.343 8.406 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.843 8.789 10.549 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.283 9.801 9.197 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.050 6.288 10.806 1.00 0.00 N ATOM 1114 CA LYS A 75 1.013 5.298 10.837 1.00 0.00 C ATOM 1115 C LYS A 75 1.253 4.769 9.421 1.00 0.00 C ATOM 1116 O LYS A 75 2.395 4.551 9.021 1.00 0.00 O ATOM 1117 CB LYS A 75 0.696 4.202 11.857 1.00 0.00 C ATOM 1118 CG LYS A 75 1.914 3.309 12.099 1.00 0.00 C ATOM 1119 CD LYS A 75 1.495 1.950 12.663 1.00 0.00 C ATOM 1120 CE LYS A 75 2.697 1.011 12.782 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.269 -0.399 12.643 1.00 0.00 N ATOM 0 H LYS A 75 -0.881 6.038 11.342 1.00 0.00 H new ATOM 0 HA LYS A 75 1.946 5.752 11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.381 4.655 12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.137 3.597 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.457 3.167 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.597 3.800 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.036 2.085 13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.741 1.501 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.431 1.252 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.185 1.156 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.101 -0.999 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.795 -0.706 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.610 -0.484 11.843 1.00 0.00 H new ATOM 1135 N PHE A 76 0.157 4.579 8.701 1.00 0.00 N ATOM 1136 CA PHE A 76 0.234 4.080 7.339 1.00 0.00 C ATOM 1137 C PHE A 76 -0.134 5.173 6.333 1.00 0.00 C ATOM 1138 O PHE A 76 -0.788 6.153 6.687 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.777 2.937 7.223 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.511 1.772 8.180 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.525 0.924 7.946 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.312 1.586 9.263 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.772 -0.157 8.834 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.066 0.505 10.151 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.029 -0.344 9.917 1.00 0.00 C ATOM 0 H PHE A 76 -0.789 4.762 9.036 1.00 0.00 H new ATOM 0 HA PHE A 76 1.250 3.749 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.776 3.329 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.770 2.562 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.160 1.072 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.135 2.260 9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.596 -0.830 8.649 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.702 0.357 11.011 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.158 -1.167 10.591 1.00 0.00 H new ATOM 1155 N LYS A 77 0.303 4.968 5.099 1.00 0.00 N ATOM 1156 CA LYS A 77 0.029 5.924 4.040 1.00 0.00 C ATOM 1157 C LYS A 77 -1.465 5.898 3.710 1.00 0.00 C ATOM 1158 O LYS A 77 -2.155 4.927 4.016 1.00 0.00 O ATOM 1159 CB LYS A 77 0.931 5.659 2.833 1.00 0.00 C ATOM 1160 CG LYS A 77 2.354 5.316 3.276 1.00 0.00 C ATOM 1161 CD LYS A 77 3.387 6.077 2.442 1.00 0.00 C ATOM 1162 CE LYS A 77 4.008 7.220 3.248 1.00 0.00 C ATOM 1163 NZ LYS A 77 2.972 8.205 3.632 1.00 0.00 N ATOM 0 H LYS A 77 0.845 4.154 4.809 1.00 0.00 H new ATOM 0 HA LYS A 77 0.265 6.936 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.523 4.839 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.949 6.538 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.480 5.563 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.521 4.243 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.169 5.393 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.913 6.475 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.490 6.823 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.783 7.710 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.428 9.052 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.417 8.470 2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.342 7.786 4.346 1.00 0.00 H new ATOM 1177 N SER A 78 -1.920 6.976 3.089 1.00 0.00 N ATOM 1178 CA SER A 78 -3.319 7.089 2.714 1.00 0.00 C ATOM 1179 C SER A 78 -3.442 7.251 1.197 1.00 0.00 C ATOM 1180 O SER A 78 -2.626 6.722 0.444 1.00 0.00 O ATOM 1181 CB SER A 78 -3.988 8.264 3.429 1.00 0.00 C ATOM 1182 OG SER A 78 -3.403 8.517 4.703 1.00 0.00 O ATOM 0 H SER A 78 -1.344 7.779 2.836 1.00 0.00 H new ATOM 0 HA SER A 78 -3.830 6.176 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.909 9.158 2.810 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.051 8.055 3.553 1.00 0.00 H new ATOM 0 HG SER A 78 -3.239 9.478 4.803 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.470 7.984 0.794 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.711 8.222 -0.619 1.00 0.00 C ATOM 1190 C CYS A 79 -4.241 9.639 -0.954 1.00 0.00 C ATOM 1191 O CYS A 79 -3.503 9.841 -1.917 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.180 8.005 -0.987 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.802 6.309 -0.694 1.00 0.00 S ATOM 0 H CYS A 79 -5.145 8.421 1.421 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.147 7.503 -1.213 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.790 8.704 -0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.316 8.250 -2.040 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.689 10.584 -0.141 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.325 11.977 -0.340 1.00 0.00 C ATOM 1200 C VAL A 80 -2.881 12.191 0.119 1.00 0.00 C ATOM 1201 O VAL A 80 -2.190 13.074 -0.388 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.322 12.887 0.381 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.888 14.351 0.296 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.735 12.700 -0.176 1.00 0.00 C ATOM 0 H VAL A 80 -5.301 10.413 0.657 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.374 12.238 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.336 12.603 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.614 14.976 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.909 14.468 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.832 14.654 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.425 13.358 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.743 12.945 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.045 11.664 -0.040 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.468 11.369 1.072 1.00 0.00 N ATOM 1215 CA GLY A 81 -1.118 11.458 1.604 1.00 0.00 C ATOM 1216 C GLY A 81 -0.079 11.283 0.494 1.00 0.00 C ATOM 1217 O GLY A 81 0.580 12.243 0.099 1.00 0.00 O ATOM 0 H GLY A 81 -3.044 10.638 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.978 12.424 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.973 10.693 2.367 1.00 0.00 H new ATOM 1221 N CYS A 82 0.034 10.050 0.023 1.00 0.00 N ATOM 1222 CA CYS A 82 0.982 9.736 -1.033 1.00 0.00 C ATOM 1223 C CYS A 82 0.900 10.837 -2.093 1.00 0.00 C ATOM 1224 O CYS A 82 1.918 11.377 -2.520 1.00 0.00 O ATOM 1225 CB CYS A 82 0.728 8.350 -1.628 1.00 0.00 C ATOM 1226 SG CYS A 82 2.154 7.838 -2.655 1.00 0.00 S ATOM 0 H CYS A 82 -0.515 9.256 0.353 1.00 0.00 H new ATOM 0 HA CYS A 82 1.991 9.702 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.566 7.626 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.179 8.365 -2.232 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.334 11.141 -2.496 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.610 12.163 -3.499 1.00 0.00 C ATOM 1233 C HIS A 83 0.040 13.494 -3.078 1.00 0.00 C ATOM 1234 O HIS A 83 0.538 14.234 -3.926 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.128 12.244 -3.722 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.747 11.164 -4.579 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.834 11.374 -5.327 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.391 9.852 -4.781 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.144 10.238 -5.970 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.285 9.266 -5.669 1.00 0.00 N ATOM 0 H HIS A 83 -1.170 10.683 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.166 11.908 -4.461 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.616 12.227 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.354 13.209 -4.175 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.345 12.254 -5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.549 9.355 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.981 10.126 -6.644 1.00 0.00 H new ATOM 1248 N VAL A 84 0.013 13.753 -1.779 1.00 0.00 N ATOM 1249 CA VAL A 84 0.592 14.974 -1.247 1.00 0.00 C ATOM 1250 C VAL A 84 2.118 14.874 -1.297 1.00 0.00 C ATOM 1251 O VAL A 84 2.803 15.872 -1.514 1.00 0.00 O ATOM 1252 CB VAL A 84 0.056 15.237 0.162 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.770 16.427 0.807 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.459 15.453 0.141 1.00 0.00 C ATOM 0 H VAL A 84 -0.401 13.137 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 84 0.302 15.831 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 84 0.260 14.354 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.370 16.592 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.838 16.219 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.611 17.319 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.814 15.638 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.696 16.311 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.948 14.564 -0.258 1.00 0.00 H new ATOM 1264 N GLU A 85 2.606 13.659 -1.091 1.00 0.00 N ATOM 1265 CA GLU A 85 4.038 13.415 -1.110 1.00 0.00 C ATOM 1266 C GLU A 85 4.528 13.239 -2.549 1.00 0.00 C ATOM 1267 O GLU A 85 5.726 13.097 -2.787 1.00 0.00 O ATOM 1268 CB GLU A 85 4.398 12.199 -0.255 1.00 0.00 C ATOM 1269 CG GLU A 85 5.084 12.626 1.045 1.00 0.00 C ATOM 1270 CD GLU A 85 6.313 13.491 0.758 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.908 13.290 -0.322 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.629 14.333 1.626 1.00 0.00 O ATOM 0 H GLU A 85 2.035 12.833 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 85 4.540 14.282 -0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.496 11.632 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.056 11.537 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.381 13.181 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.381 11.743 1.611 1.00 0.00 H new ATOM 1279 N VAL A 86 3.576 13.253 -3.470 1.00 0.00 N ATOM 1280 CA VAL A 86 3.895 13.096 -4.879 1.00 0.00 C ATOM 1281 C VAL A 86 4.137 14.474 -5.499 1.00 0.00 C ATOM 1282 O VAL A 86 5.168 14.702 -6.130 1.00 0.00 O ATOM 1283 CB VAL A 86 2.787 12.310 -5.582 1.00 0.00 C ATOM 1284 CG1 VAL A 86 2.966 12.350 -7.101 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.730 10.868 -5.074 1.00 0.00 C ATOM 0 H VAL A 86 2.583 13.371 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 86 4.812 12.519 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 86 1.836 12.786 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.165 11.784 -7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.933 13.384 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.928 11.911 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.934 10.332 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.683 10.376 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.532 10.867 -4.002 1.00 0.00 H new ATOM 1295 N ALA A 87 3.170 15.356 -5.297 1.00 0.00 N ATOM 1296 CA ALA A 87 3.264 16.705 -5.829 1.00 0.00 C ATOM 1297 C ALA A 87 4.663 17.260 -5.554 1.00 0.00 C ATOM 1298 O ALA A 87 5.433 16.666 -4.800 1.00 0.00 O ATOM 1299 CB ALA A 87 2.162 17.573 -5.218 1.00 0.00 C ATOM 0 H ALA A 87 2.317 15.163 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 87 3.116 16.703 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.233 18.585 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.188 17.152 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.280 17.601 -4.135 1.00 0.00 H new ATOM 1305 N GLY A 88 4.950 18.392 -6.179 1.00 0.00 N ATOM 1306 CA GLY A 88 6.243 19.034 -6.011 1.00 0.00 C ATOM 1307 C GLY A 88 6.099 20.556 -5.975 1.00 0.00 C ATOM 1308 O GLY A 88 6.439 21.192 -4.978 1.00 0.00 O ATOM 0 H GLY A 88 4.309 18.882 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.708 18.687 -5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.904 18.747 -6.828 1.00 0.00 H new ATOM 1312 N ALA A 89 5.595 21.097 -7.074 1.00 0.00 N ATOM 1313 CA ALA A 89 5.401 22.533 -7.181 1.00 0.00 C ATOM 1314 C ALA A 89 4.413 22.828 -8.311 1.00 0.00 C ATOM 1315 O ALA A 89 4.475 23.888 -8.934 1.00 0.00 O ATOM 1316 CB ALA A 89 6.754 23.216 -7.395 1.00 0.00 C ATOM 0 H ALA A 89 5.315 20.566 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 89 4.976 22.933 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.609 24.293 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.408 23.000 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.209 22.842 -8.312 1.00 0.00 H new ATOM 1322 N ASP A 90 3.526 21.872 -8.543 1.00 0.00 N ATOM 1323 CA ASP A 90 2.526 22.017 -9.587 1.00 0.00 C ATOM 1324 C ASP A 90 1.201 22.456 -8.961 1.00 0.00 C ATOM 1325 O ASP A 90 0.707 21.819 -8.032 1.00 0.00 O ATOM 1326 CB ASP A 90 2.290 20.690 -10.311 1.00 0.00 C ATOM 1327 CG ASP A 90 1.293 20.753 -11.469 1.00 0.00 C ATOM 1328 OD1 ASP A 90 1.093 21.874 -11.986 1.00 0.00 O ATOM 1329 OD2 ASP A 90 0.752 19.679 -11.812 1.00 0.00 O ATOM 0 H ASP A 90 3.479 20.994 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 90 2.888 22.758 -10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.244 20.327 -10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.936 19.956 -9.587 1.00 0.00 H new ATOM 1334 N ALA A 91 0.661 23.542 -9.496 1.00 0.00 N ATOM 1335 CA ALA A 91 -0.597 24.073 -9.002 1.00 0.00 C ATOM 1336 C ALA A 91 -1.754 23.432 -9.771 1.00 0.00 C ATOM 1337 O ALA A 91 -2.841 24.002 -9.853 1.00 0.00 O ATOM 1338 CB ALA A 91 -0.590 25.598 -9.124 1.00 0.00 C ATOM 0 H ALA A 91 1.073 24.068 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.728 23.830 -7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.534 25.997 -8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.232 26.006 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.463 25.879 -10.170 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.481 22.256 -10.315 1.00 0.00 N ATOM 1345 CA ALA A 92 -2.485 21.531 -11.075 1.00 0.00 C ATOM 1346 C ALA A 92 -2.674 20.140 -10.466 1.00 0.00 C ATOM 1347 O ALA A 92 -3.788 19.761 -10.108 1.00 0.00 O ATOM 1348 CB ALA A 92 -2.068 21.472 -12.546 1.00 0.00 C ATOM 0 H ALA A 92 -0.578 21.786 -10.245 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.446 22.044 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.821 20.928 -13.116 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.976 22.485 -12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.109 20.961 -12.632 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.568 19.417 -10.367 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.597 18.077 -9.807 1.00 0.00 C ATOM 1356 C LYS A 93 -2.011 18.153 -8.336 1.00 0.00 C ATOM 1357 O LYS A 93 -2.601 17.213 -7.804 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.259 17.372 -10.034 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.269 16.587 -11.348 1.00 0.00 C ATOM 1360 CD LYS A 93 1.146 16.152 -11.738 1.00 0.00 C ATOM 1361 CE LYS A 93 1.947 15.725 -10.506 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.171 14.764 -9.691 1.00 0.00 N ATOM 0 H LYS A 93 -0.646 19.734 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.342 17.467 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.545 18.107 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.055 16.696 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.908 15.710 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.695 17.202 -12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.094 15.326 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.657 16.973 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.888 15.271 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.198 16.600 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.937 15.196 -8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.294 14.515 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.737 13.905 -9.535 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.684 19.279 -7.720 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.014 19.490 -6.320 1.00 0.00 C ATOM 1378 C LYS A 94 -3.493 19.863 -6.200 1.00 0.00 C ATOM 1379 O LYS A 94 -3.998 20.068 -5.097 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.068 20.517 -5.695 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.607 21.938 -5.871 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.174 22.476 -4.556 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.827 23.844 -4.760 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.795 24.888 -4.953 1.00 0.00 N ATOM 0 H LYS A 94 -1.194 20.055 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.869 18.571 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.941 20.301 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.084 20.438 -6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.809 22.593 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.384 21.944 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.907 21.775 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.376 22.556 -3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.487 23.813 -5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.445 24.091 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.255 25.813 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.171 24.917 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.233 24.668 -5.800 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.147 19.941 -7.350 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.557 20.287 -7.388 1.00 0.00 C ATOM 1400 C LYS A 95 -6.329 19.184 -8.115 1.00 0.00 C ATOM 1401 O LYS A 95 -7.550 19.258 -8.244 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.752 21.677 -7.996 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.213 22.680 -6.935 1.00 0.00 C ATOM 1404 CD LYS A 95 -5.909 24.115 -7.369 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.115 24.743 -8.070 1.00 0.00 C ATOM 1406 NZ LYS A 95 -7.211 26.184 -7.745 1.00 0.00 N ATOM 0 H LYS A 95 -3.725 19.770 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.961 20.347 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.817 22.017 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.488 21.627 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.283 22.567 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.715 22.469 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.638 24.712 -6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.050 24.122 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.025 24.613 -9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.028 24.233 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.035 26.595 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.319 26.302 -6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.347 26.669 -8.060 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.585 18.187 -8.571 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.184 17.071 -9.282 1.00 0.00 C ATOM 1422 C ASP A 96 -5.946 15.782 -8.492 1.00 0.00 C ATOM 1423 O ASP A 96 -6.731 14.839 -8.585 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.557 16.899 -10.667 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.363 18.197 -11.454 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.133 19.144 -11.186 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.450 18.212 -12.308 1.00 0.00 O ATOM 0 H ASP A 96 -4.573 18.129 -8.462 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.249 17.274 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.588 16.412 -10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.184 16.227 -11.253 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.860 15.783 -7.733 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.509 14.626 -6.928 1.00 0.00 C ATOM 1434 C LEU A 97 -5.069 14.804 -5.515 1.00 0.00 C ATOM 1435 O LEU A 97 -5.603 13.862 -4.932 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.999 14.386 -6.965 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.369 14.289 -8.356 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.164 13.345 -8.348 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.409 13.882 -9.402 1.00 0.00 C ATOM 0 H LEU A 97 -4.212 16.567 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.962 13.724 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.509 15.194 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.784 13.463 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.002 15.277 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.735 13.294 -9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.414 13.718 -7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.484 12.350 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.935 13.820 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.828 12.910 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.206 14.625 -9.431 1.00 0.00 H new ATOM 1451 N THR A 98 -4.928 16.019 -5.006 1.00 0.00 N ATOM 1452 CA THR A 98 -5.413 16.333 -3.673 1.00 0.00 C ATOM 1453 C THR A 98 -6.681 17.185 -3.754 1.00 0.00 C ATOM 1454 O THR A 98 -7.257 17.547 -2.729 1.00 0.00 O ATOM 1455 CB THR A 98 -4.276 17.007 -2.903 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.050 18.223 -3.611 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.953 16.250 -3.030 1.00 0.00 C ATOM 0 H THR A 98 -4.485 16.798 -5.493 1.00 0.00 H new ATOM 0 HA THR A 98 -5.700 15.430 -3.133 1.00 0.00 H new ATOM 0 HB THR A 98 -4.548 17.087 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.696 18.300 -4.344 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.180 16.771 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.072 15.241 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.663 16.198 -4.079 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.080 17.481 -4.982 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.269 18.284 -5.210 1.00 0.00 C ATOM 1467 C GLY A 99 -9.467 17.719 -4.443 1.00 0.00 C ATOM 1468 O GLY A 99 -9.499 16.532 -4.121 1.00 0.00 O ATOM 0 H GLY A 99 -6.601 17.179 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.084 19.312 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.495 18.311 -6.276 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.422 18.596 -4.173 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.619 18.200 -3.450 1.00 0.00 C ATOM 1474 C CYS A 100 -12.753 18.018 -4.461 1.00 0.00 C ATOM 1475 O CYS A 100 -13.519 17.060 -4.373 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.982 19.212 -2.361 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.960 19.109 -0.846 1.00 0.00 S ATOM 0 H CYS A 100 -10.392 19.580 -4.442 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.440 17.257 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.894 20.217 -2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -13.028 19.071 -2.087 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.824 18.953 -5.397 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.851 18.907 -6.424 1.00 0.00 C ATOM 1484 C LYS A 101 -13.192 18.971 -7.803 1.00 0.00 C ATOM 1485 O LYS A 101 -12.308 19.794 -8.035 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.892 20.004 -6.189 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.649 20.326 -7.479 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.218 19.055 -8.113 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.737 19.152 -8.268 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.121 20.480 -8.797 1.00 0.00 N ATOM 0 H LYS A 101 -12.187 19.747 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.396 17.965 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.596 19.684 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.401 20.903 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.459 21.024 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.980 20.820 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.759 18.894 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.966 18.192 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.090 18.370 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.218 18.985 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.954 20.381 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.348 21.116 -8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.331 20.877 -9.345 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.646 18.090 -8.682 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.112 18.036 -10.032 1.00 0.00 C ATOM 1506 C LYS A 102 -11.891 17.113 -10.056 1.00 0.00 C ATOM 1507 O LYS A 102 -11.349 16.822 -11.121 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.826 19.446 -10.552 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.144 19.554 -12.045 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.844 20.877 -12.363 1.00 0.00 C ATOM 1511 CE LYS A 102 -13.865 21.138 -13.870 1.00 0.00 C ATOM 1512 NZ LYS A 102 -13.152 22.395 -14.189 1.00 0.00 N ATOM 0 H LYS A 102 -14.378 17.407 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.847 17.612 -10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.421 20.170 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.779 19.695 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.223 19.478 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.779 18.721 -12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.864 20.854 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.332 21.695 -11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.398 20.305 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.895 21.199 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.176 22.557 -15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.614 23.189 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.164 22.323 -13.873 1.00 0.00 H new ATOM 1526 N SER A 103 -11.494 16.679 -8.868 1.00 0.00 N ATOM 1527 CA SER A 103 -10.348 15.796 -8.739 1.00 0.00 C ATOM 1528 C SER A 103 -10.690 14.411 -9.291 1.00 0.00 C ATOM 1529 O SER A 103 -11.862 14.049 -9.388 1.00 0.00 O ATOM 1530 CB SER A 103 -9.896 15.689 -7.281 1.00 0.00 C ATOM 1531 OG SER A 103 -8.782 14.814 -7.131 1.00 0.00 O ATOM 0 H SER A 103 -11.946 16.923 -7.987 1.00 0.00 H new ATOM 0 HA SER A 103 -9.525 16.218 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.632 16.679 -6.910 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.724 15.330 -6.670 1.00 0.00 H new ATOM 0 HG SER A 103 -8.179 14.918 -7.896 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.646 13.673 -9.639 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.821 12.335 -10.179 1.00 0.00 C ATOM 1539 C LYS A 104 -10.631 11.493 -9.191 1.00 0.00 C ATOM 1540 O LYS A 104 -11.445 10.665 -9.598 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.467 11.723 -10.544 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.159 11.920 -12.030 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.653 13.338 -12.302 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.265 13.311 -12.944 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.368 13.495 -14.409 1.00 0.00 N ATOM 0 H LYS A 104 -8.676 13.976 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.389 12.370 -11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.682 12.182 -9.942 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.469 10.659 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.410 11.195 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.056 11.731 -12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.351 13.857 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.615 13.900 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.644 14.098 -12.515 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.775 12.363 -12.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.417 13.474 -14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.943 12.730 -14.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.817 14.411 -14.613 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.380 11.734 -7.913 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.075 11.008 -6.864 1.00 0.00 C ATOM 1561 C CYS A 105 -12.517 11.517 -6.802 1.00 0.00 C ATOM 1562 O CYS A 105 -13.458 10.777 -7.079 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.364 11.143 -5.516 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.616 10.627 -5.676 1.00 0.00 S ATOM 0 H CYS A 105 -9.705 12.422 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.076 9.943 -7.095 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.417 12.175 -5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.866 10.529 -4.768 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.649 12.792 -6.433 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.945 13.451 -6.318 1.00 0.00 C ATOM 1571 C HIS A 106 -14.221 14.282 -7.585 1.00 0.00 C ATOM 1572 O HIS A 106 -14.377 15.500 -7.504 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.976 14.260 -5.013 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.830 13.481 -3.726 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.766 12.633 -3.288 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.820 13.450 -2.794 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.356 12.095 -2.129 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.160 12.565 -1.778 1.00 0.00 N ATOM 0 H HIS A 106 -11.858 13.395 -6.206 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.757 12.727 -6.257 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.178 15.002 -5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.918 14.807 -4.974 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.648 12.428 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.906 14.023 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.922 11.375 -1.556 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.272 13.592 -8.715 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.526 14.253 -9.984 1.00 0.00 C ATOM 1588 C GLU A 107 -16.026 14.265 -10.285 1.00 0.00 C ATOM 1589 O GLU A 107 -16.627 13.215 -10.507 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.745 13.583 -11.116 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.874 14.600 -11.857 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.060 14.481 -13.371 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.226 14.581 -13.809 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.032 14.292 -14.056 1.00 0.00 O ATOM 0 H GLU A 107 -14.142 12.582 -8.778 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.182 15.285 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.118 12.789 -10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.439 13.115 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.131 15.609 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.826 14.441 -11.602 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.452 -3.997 -3.876 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.879 -4.534 -3.537 1.00 0.00 C HETATM 1604 CHB HEC A 108 -5.043 -7.366 -4.533 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.121 -3.473 -4.379 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.955 -0.661 -3.116 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.717 -5.602 -4.058 1.00 0.00 N HETATM 1608 C1A HEC A 108 -8.073 -5.641 -3.786 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.548 -7.004 -3.796 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.487 -7.792 -4.072 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.345 -6.924 -4.236 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.454 -9.287 -4.195 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.967 -7.421 -3.541 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.598 -8.208 -4.687 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.486 -9.707 -4.449 1.00 0.00 C HETATM 1616 O1A HEC A 108 -10.746 -10.120 -3.298 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.144 -10.412 -5.423 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.917 -5.179 -4.353 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.924 -6.542 -4.592 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.594 -7.001 -4.917 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.782 -5.924 -4.875 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.601 -4.787 -4.524 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.230 -8.422 -5.235 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.305 -5.870 -5.136 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.136 -6.646 -6.374 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.302 -2.365 -3.825 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.934 -2.322 -4.027 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.428 -0.997 -3.755 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.483 -0.238 -3.389 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.651 -1.085 -3.432 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.989 -0.586 -3.870 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.487 1.213 -3.005 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.292 2.000 -3.536 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.084 -2.828 -3.458 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.072 -1.490 -3.103 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.395 -1.064 -2.712 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.208 -2.135 -2.827 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.396 -3.236 -3.292 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.753 0.324 -2.266 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.679 -2.214 -2.540 1.00 0.00 C HETATM 1641 CBD HEC A 108 -11.040 -1.959 -1.079 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.116 -0.888 -0.960 1.00 0.00 C HETATM 1643 O1D HEC A 108 -11.811 0.155 -0.343 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.222 -1.134 -1.488 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.175 0.581 -1.379 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.528 1.032 -3.064 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.817 0.368 -2.032 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.383 -1.188 -3.193 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.648 -0.738 -4.894 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.889 0.467 -3.607 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.474 -9.059 -4.385 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.790 -8.754 -6.109 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.162 -8.486 -5.442 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.774 -9.737 -3.255 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.125 -9.601 -4.994 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.439 -9.611 -4.426 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.391 -2.884 -0.621 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.151 -1.648 -0.530 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.370 1.568 -3.147 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.282 1.956 -4.625 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.369 3.039 -3.215 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.132 -7.696 -6.259 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.361 -6.239 -7.255 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.216 -6.558 -6.493 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.647 -7.930 -4.789 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -10.107 -7.948 -5.625 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.200 -1.489 -3.165 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.042 -3.201 -2.827 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.000 -8.028 -2.636 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.568 -6.532 -3.350 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.100 0.390 -2.864 1.00 0.00 H new HETATM 0 HHC HEC A 108 -1.057 -3.305 -4.543 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.901 -8.428 -4.731 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.959 -4.683 -3.531 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.893 -0.505 -1.150 1.00 0.00 H new HETATM 0 H2A HEC A 108 -9.523 -11.108 -5.121 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.370 0.013 8.315 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.639 1.661 10.889 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.521 2.424 6.160 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.845 -1.849 5.892 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.279 -2.428 10.730 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.277 1.666 8.506 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.687 2.234 9.622 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.121 3.520 9.290 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.364 3.734 7.980 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.083 2.583 7.488 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.979 4.925 7.152 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.404 4.417 10.256 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.271 5.536 10.825 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.625 6.159 12.054 1.00 0.00 C HETATM 1691 O1A HEC A 109 -2.853 5.434 12.719 1.00 0.00 O HETATM 1692 O2A HEC A 109 -3.915 7.348 12.307 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.650 0.249 6.448 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.184 1.300 5.678 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.483 1.070 4.284 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.128 -0.113 4.206 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.234 -0.628 5.551 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.125 2.003 3.164 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.651 -0.802 2.979 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.595 -1.041 1.903 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.397 -1.763 8.347 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.104 -2.259 7.265 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.913 -3.385 7.668 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.701 -3.573 8.988 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.758 -2.566 9.415 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.809 -4.169 6.755 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.306 -4.617 9.881 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.039 -6.050 9.431 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.035 -0.324 10.395 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.488 -1.375 11.175 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.021 -1.227 12.533 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.289 -0.094 12.581 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.295 0.471 11.252 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.320 -2.182 13.653 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.584 0.502 13.765 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.252 -0.164 14.094 1.00 0.00 C HETATM 1717 CGD HEC A 109 -3.323 -0.905 15.422 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.319 -0.839 16.163 1.00 0.00 O HETATM 1719 O2D HEC A 109 -4.380 -1.525 15.670 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.398 -2.241 13.803 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -5.935 -3.170 13.401 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.845 -1.830 14.568 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.563 -3.507 6.328 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.216 -4.609 5.953 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.300 -4.962 7.320 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.603 2.969 3.328 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.043 2.134 3.131 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.468 1.584 2.218 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.436 5.822 7.570 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.895 5.035 7.155 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.326 4.784 6.128 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.984 -0.860 13.299 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.466 0.590 14.136 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.453 -6.201 8.434 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.964 -6.230 9.409 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.509 -6.744 10.128 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.179 -0.086 1.582 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.799 -1.666 2.307 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.052 -1.543 1.050 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.427 6.302 10.065 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.253 5.142 11.087 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.412 1.562 13.577 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.237 0.435 14.635 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.020 3.814 11.079 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.542 4.858 9.755 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.547 -3.201 11.451 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.139 -2.522 5.087 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.327 3.238 5.461 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.052 2.170 11.654 1.00 0.00 H new HETATM 0 H2D HEC A 109 -4.263 -2.472 15.448 1.00 0.00 H new HETATM 0 H2A HEC A 109 -3.443 7.635 13.117 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.204 7.425 -6.220 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.942 8.568 -9.576 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.693 7.593 -6.626 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.618 6.035 -3.185 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.169 7.487 -5.988 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.543 7.964 -7.798 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.228 8.416 -9.068 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.433 8.714 -9.806 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.475 8.445 -8.991 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.925 7.978 -7.740 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.940 8.588 -9.286 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.472 9.226 -11.217 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.672 8.137 -12.267 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.896 8.452 -13.538 1.00 0.00 C HETATM 1766 O1A HEC A 110 -5.510 8.337 -14.621 1.00 0.00 O HETATM 1767 O2A HEC A 110 -3.704 8.803 -13.403 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.830 6.962 -5.136 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.173 7.026 -5.467 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.973 6.415 -4.432 1.00 0.00 C HETATM 1771 C3B HEC A 110 -6.124 5.982 -3.477 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.789 6.320 -3.911 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.470 6.305 -4.457 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.457 5.279 -2.194 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.434 4.118 -2.357 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.969 6.910 -4.877 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.270 6.342 -3.651 1.00 0.00 C HETATM 1778 C2C HEC A 110 -1.057 6.050 -2.923 1.00 0.00 C HETATM 1779 C3C HEC A 110 -0.024 6.438 -3.701 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.587 6.974 -4.918 1.00 0.00 C HETATM 1781 CMC HEC A 110 -1.004 5.430 -1.557 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.443 6.350 -3.399 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.811 5.233 -2.427 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.710 7.924 -7.526 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.363 7.881 -7.211 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.429 8.307 -8.341 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.431 8.608 -9.337 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.763 8.370 -8.835 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.928 8.386 -8.358 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.108 9.098 -10.719 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.299 10.601 -10.905 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.052 11.026 -12.323 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.590 10.168 -13.057 1.00 0.00 O HETATM 1794 O2D HEC A 110 -0.224 12.201 -12.648 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.265 9.080 -7.588 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.347 7.398 -8.164 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.263 8.737 -9.334 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.531 6.068 -0.847 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.478 4.449 -1.584 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.035 5.322 -1.246 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.907 7.302 -4.504 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.778 5.732 -5.331 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.813 5.801 -3.553 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.163 9.627 -9.527 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.204 7.954 -10.133 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.518 8.286 -8.413 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.333 10.869 -10.687 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.327 11.141 -10.195 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.297 5.392 -1.479 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.511 4.273 -2.846 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.888 5.236 -2.260 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.371 4.487 -2.774 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.006 3.374 -3.029 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.623 3.663 -1.385 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.346 7.177 -11.867 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.733 8.042 -12.499 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.926 8.842 -10.952 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.737 8.571 -11.437 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.278 9.955 -11.306 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.541 9.753 -11.427 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.246 7.582 -5.849 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.725 5.554 -2.213 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.771 7.750 -6.674 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.841 8.861 -10.621 1.00 0.00 H new HETATM 0 H2D HEC A 110 0.252 12.433 -13.473 1.00 0.00 H new HETATM 0 H2A HEC A 110 -3.246 8.746 -14.268 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.130 12.148 -0.274 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.369 9.821 1.047 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.818 14.647 1.412 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.716 14.384 -1.201 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.620 9.616 -2.055 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.760 12.210 0.966 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.543 11.155 1.401 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.579 11.631 2.287 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.429 12.969 2.390 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.299 13.334 1.570 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.256 13.932 3.192 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.611 10.763 2.947 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.368 10.535 4.436 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.670 10.226 5.162 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.806 10.700 6.310 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.505 9.521 4.555 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.807 14.092 0.096 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.665 14.986 0.711 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.198 16.339 0.525 1.00 0.00 C HETATM 1846 C3B HEC A 111 -11.061 16.270 -0.199 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.813 14.873 -0.468 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.882 17.565 1.057 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.188 17.401 -0.659 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.934 17.601 0.188 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.437 11.988 -1.360 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.597 13.019 -1.743 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.665 12.559 -2.747 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.937 11.257 -2.974 1.00 0.00 C HETATM 1855 C4C HEC A 111 -10.039 10.897 -2.114 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.609 13.409 -3.391 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.252 10.323 -3.929 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.728 10.364 -3.852 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.474 10.144 -0.515 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.658 9.260 -1.201 1.00 0.00 C HETATM 1861 C2D HEC A 111 -12.037 7.898 -0.909 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.077 7.951 -0.049 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.352 9.347 0.199 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.370 6.680 -1.478 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.833 6.806 0.559 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.775 6.100 -0.411 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.668 5.106 0.318 1.00 0.00 C HETATM 1868 O1D HEC A 111 -15.102 4.267 1.052 1.00 0.00 O HETATM 1869 O2D HEC A 111 -16.900 5.203 0.128 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.451 6.695 -2.565 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.318 6.674 -1.192 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.856 5.785 -1.091 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -8.080 14.247 -3.905 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.930 13.787 -2.627 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -7.049 12.811 -4.110 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.889 17.628 0.644 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.939 17.507 2.144 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.316 18.451 0.770 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.292 13.891 2.854 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.207 13.662 4.247 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.870 14.943 3.058 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.391 6.837 -0.926 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.195 5.581 -1.174 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.379 11.371 -4.081 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.407 10.089 -2.847 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.308 9.662 -4.572 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.221 17.814 1.218 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.328 16.695 0.160 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.357 18.436 -0.208 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.668 9.711 4.571 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.906 11.421 4.872 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.120 6.080 0.950 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.410 7.175 1.407 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.592 11.218 2.815 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.637 9.798 2.441 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.229 8.850 -2.725 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.888 15.070 -1.382 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.388 15.455 1.871 1.00 0.00 H new HETATM 0 HHA HEC A 111 -15.070 9.092 1.455 1.00 0.00 H new HETATM 0 H2D HEC A 111 -17.071 5.402 -0.816 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.295 9.390 5.120 1.00 0.00 H new