USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=31 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 180:sc= -0.0945 USER MOD Set 1.2: A 111 HEC O2D : rot 24:sc= 0.164 USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -1.68 K(o=-1.8,f=-14!) USER MOD Set 2.3: A 109 HEC O2A : rot 30:sc= -0.109 USER MOD Single : A 1 ALA N :NH3+ -117:sc= -0.828 (180deg=-3.35!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -1.12 (180deg=-1.83) USER MOD Single : A 11 MET CE :methyl -167:sc= -0.648 (180deg=-0.87) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.6!) USER MOD Single : A 21 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.25) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -14:sc= 0.309 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.177 (180deg=-0.446) USER MOD Single : A 27 SER OG : rot 61:sc= 0.611 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.567 X(o=-0.57,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= -1.72 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00563 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0234) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 92:sc= 0.0617! USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 0.252 (180deg=-0.714!) USER MOD Single : A 65 TYR OH : rot -133:sc= 0.408 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -158:sc= -5.49! (180deg=-7.23!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.6!) USER MOD Single : A 74 THR OG1 : rot 104:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -162:sc= 2.18 USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.355 (180deg=-1.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -3:sc= -1.05! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 49:sc= 0.498 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 180:sc= -0.0702 USER MOD Single : A 108 HEC O2D : rot 180:sc= 0 USER MOD Single : A 109 HEC O2D : rot 180:sc= -0.0673 USER MOD Single : A 110 HEC O2A : rot 165:sc= 0 USER MOD Single : A 110 HEC O2D : rot 165:sc= -0.899 USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.927 -15.879 -2.509 1.00 0.00 N ATOM 2 CA ALA A 1 -1.395 -15.335 -3.747 1.00 0.00 C ATOM 3 C ALA A 1 -2.522 -15.226 -4.776 1.00 0.00 C ATOM 4 O ALA A 1 -2.547 -15.918 -5.792 1.00 0.00 O ATOM 5 CB ALA A 1 -0.241 -16.212 -4.236 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.827 -15.176 -1.749 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.933 -16.111 -2.636 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.403 -16.740 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.997 -14.333 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.158 -15.804 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.545 -16.233 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.603 -17.225 -4.411 1.00 0.00 H new ATOM 13 N PRO A 2 -3.467 -14.329 -4.486 1.00 0.00 N ATOM 14 CA PRO A 2 -4.620 -14.060 -5.319 1.00 0.00 C ATOM 15 C PRO A 2 -4.179 -13.337 -6.583 1.00 0.00 C ATOM 16 O PRO A 2 -4.928 -13.336 -7.559 1.00 0.00 O ATOM 17 CB PRO A 2 -5.521 -13.171 -4.464 1.00 0.00 C ATOM 18 CG PRO A 2 -4.573 -12.472 -3.541 1.00 0.00 C ATOM 19 CD PRO A 2 -3.469 -13.499 -3.301 1.00 0.00 C ATOM 0 HA PRO A 2 -5.136 -14.966 -5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.078 -12.461 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.254 -13.759 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.179 -11.560 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.061 -12.185 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.503 -13.014 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.666 -14.089 -2.406 1.00 0.00 H new ATOM 27 N LYS A 3 -2.995 -12.742 -6.545 1.00 0.00 N ATOM 28 CA LYS A 3 -2.482 -12.023 -7.698 1.00 0.00 C ATOM 29 C LYS A 3 -3.411 -10.849 -8.017 1.00 0.00 C ATOM 30 O LYS A 3 -4.632 -10.993 -7.986 1.00 0.00 O ATOM 31 CB LYS A 3 -2.272 -12.977 -8.875 1.00 0.00 C ATOM 32 CG LYS A 3 -1.182 -14.005 -8.560 1.00 0.00 C ATOM 33 CD LYS A 3 -0.688 -14.689 -9.837 1.00 0.00 C ATOM 34 CE LYS A 3 0.822 -14.926 -9.782 1.00 0.00 C ATOM 35 NZ LYS A 3 1.530 -13.966 -10.658 1.00 0.00 N ATOM 0 H LYS A 3 -2.377 -12.744 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.500 -11.603 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.206 -13.490 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.996 -12.409 -9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.347 -13.514 -8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.571 -14.753 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.205 -15.640 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.932 -14.072 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.175 -14.820 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.047 -15.946 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.554 -14.141 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.205 -14.086 -11.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.329 -12.995 -10.343 1.00 0.00 H new ATOM 49 N ALA A 4 -2.796 -9.714 -8.316 1.00 0.00 N ATOM 50 CA ALA A 4 -3.553 -8.517 -8.639 1.00 0.00 C ATOM 51 C ALA A 4 -4.550 -8.835 -9.755 1.00 0.00 C ATOM 52 O ALA A 4 -4.191 -9.260 -10.850 1.00 0.00 O ATOM 53 CB ALA A 4 -2.589 -7.392 -9.023 1.00 0.00 C ATOM 0 H ALA A 4 -1.783 -9.598 -8.341 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.123 -8.178 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.156 -6.494 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.921 -7.185 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.002 -7.696 -9.890 1.00 0.00 H new ATOM 59 N PRO A 5 -5.831 -8.615 -9.446 1.00 0.00 N ATOM 60 CA PRO A 5 -6.938 -8.845 -10.348 1.00 0.00 C ATOM 61 C PRO A 5 -6.989 -7.735 -11.388 1.00 0.00 C ATOM 62 O PRO A 5 -6.174 -6.817 -11.317 1.00 0.00 O ATOM 63 CB PRO A 5 -8.180 -8.819 -9.459 1.00 0.00 C ATOM 64 CG PRO A 5 -7.791 -7.909 -8.340 1.00 0.00 C ATOM 65 CD PRO A 5 -6.288 -8.115 -8.168 1.00 0.00 C ATOM 0 HA PRO A 5 -6.854 -9.786 -10.891 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.051 -8.444 -9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.434 -9.815 -9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.023 -6.871 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.330 -8.155 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.789 -7.182 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.076 -8.824 -7.368 1.00 0.00 H new ATOM 73 N ALA A 6 -7.926 -7.836 -12.319 1.00 0.00 N ATOM 74 CA ALA A 6 -8.059 -6.830 -13.359 1.00 0.00 C ATOM 75 C ALA A 6 -8.955 -5.697 -12.855 1.00 0.00 C ATOM 76 O ALA A 6 -9.905 -5.936 -12.111 1.00 0.00 O ATOM 77 CB ALA A 6 -8.603 -7.481 -14.632 1.00 0.00 C ATOM 0 H ALA A 6 -8.601 -8.599 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.088 -6.399 -13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.703 -6.727 -15.412 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.916 -8.259 -14.965 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.578 -7.922 -14.427 1.00 0.00 H new ATOM 83 N ASP A 7 -8.621 -4.488 -13.281 1.00 0.00 N ATOM 84 CA ASP A 7 -9.384 -3.317 -12.882 1.00 0.00 C ATOM 85 C ASP A 7 -10.869 -3.678 -12.820 1.00 0.00 C ATOM 86 O ASP A 7 -11.340 -4.518 -13.585 1.00 0.00 O ATOM 87 CB ASP A 7 -9.215 -2.180 -13.892 1.00 0.00 C ATOM 88 CG ASP A 7 -8.195 -2.445 -15.001 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.079 -2.888 -14.651 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.553 -2.199 -16.173 1.00 0.00 O ATOM 0 H ASP A 7 -7.833 -4.294 -13.898 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.018 -2.992 -11.908 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.182 -1.975 -14.351 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.919 -1.279 -13.355 1.00 0.00 H new ATOM 95 N GLY A 8 -11.566 -3.024 -11.902 1.00 0.00 N ATOM 96 CA GLY A 8 -12.988 -3.265 -11.730 1.00 0.00 C ATOM 97 C GLY A 8 -13.382 -3.192 -10.253 1.00 0.00 C ATOM 98 O GLY A 8 -14.150 -4.023 -9.770 1.00 0.00 O ATOM 0 H GLY A 8 -11.172 -2.327 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.557 -2.529 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.245 -4.245 -12.131 1.00 0.00 H new ATOM 102 N LEU A 9 -12.838 -2.191 -9.578 1.00 0.00 N ATOM 103 CA LEU A 9 -13.123 -1.998 -8.166 1.00 0.00 C ATOM 104 C LEU A 9 -13.491 -0.534 -7.919 1.00 0.00 C ATOM 105 O LEU A 9 -12.800 0.370 -8.386 1.00 0.00 O ATOM 106 CB LEU A 9 -11.954 -2.491 -7.311 1.00 0.00 C ATOM 107 CG LEU A 9 -10.976 -1.417 -6.829 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.418 -0.838 -5.484 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.547 -1.961 -6.777 1.00 0.00 C ATOM 0 H LEU A 9 -12.201 -1.504 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.982 -2.598 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.359 -3.004 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.396 -3.231 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.983 -0.599 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.706 -0.077 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.406 -0.390 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.457 -1.634 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.872 -1.178 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.504 -2.806 -6.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.245 -2.287 -7.772 1.00 0.00 H new ATOM 121 N LYS A 10 -14.579 -0.345 -7.186 1.00 0.00 N ATOM 122 CA LYS A 10 -15.047 0.994 -6.872 1.00 0.00 C ATOM 123 C LYS A 10 -15.389 1.073 -5.383 1.00 0.00 C ATOM 124 O LYS A 10 -16.041 0.181 -4.844 1.00 0.00 O ATOM 125 CB LYS A 10 -16.205 1.386 -7.791 1.00 0.00 C ATOM 126 CG LYS A 10 -17.537 0.866 -7.247 1.00 0.00 C ATOM 127 CD LYS A 10 -17.611 -0.659 -7.342 1.00 0.00 C ATOM 128 CE LYS A 10 -19.003 -1.114 -7.785 1.00 0.00 C ATOM 129 NZ LYS A 10 -20.049 -0.408 -7.011 1.00 0.00 N ATOM 0 H LYS A 10 -15.150 -1.097 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.261 1.726 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.246 2.471 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.034 0.984 -8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.655 1.175 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.360 1.309 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.864 -1.019 -8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.372 -1.099 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.135 -0.918 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.102 -2.190 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.952 -0.915 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.775 -0.373 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.156 0.560 -7.375 1.00 0.00 H new ATOM 143 N MET A 11 -14.934 2.151 -4.761 1.00 0.00 N ATOM 144 CA MET A 11 -15.184 2.359 -3.345 1.00 0.00 C ATOM 145 C MET A 11 -16.201 3.480 -3.126 1.00 0.00 C ATOM 146 O MET A 11 -15.825 4.622 -2.865 1.00 0.00 O ATOM 147 CB MET A 11 -13.872 2.714 -2.641 1.00 0.00 C ATOM 148 CG MET A 11 -12.765 1.726 -3.013 1.00 0.00 C ATOM 149 SD MET A 11 -12.110 0.961 -1.540 1.00 0.00 S ATOM 150 CE MET A 11 -10.968 2.228 -1.014 1.00 0.00 C ATOM 0 H MET A 11 -14.394 2.889 -5.212 1.00 0.00 H new ATOM 0 HA MET A 11 -15.592 1.438 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.570 3.725 -2.916 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.021 2.708 -1.561 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.158 0.963 -3.685 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.969 2.244 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.308 1.826 -0.245 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.374 2.559 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.524 3.074 -0.609 1.00 0.00 H new ATOM 160 N GLU A 12 -17.470 3.116 -3.241 1.00 0.00 N ATOM 161 CA GLU A 12 -18.544 4.077 -3.059 1.00 0.00 C ATOM 162 C GLU A 12 -19.427 3.669 -1.878 1.00 0.00 C ATOM 163 O GLU A 12 -20.647 3.819 -1.930 1.00 0.00 O ATOM 164 CB GLU A 12 -19.371 4.223 -4.338 1.00 0.00 C ATOM 165 CG GLU A 12 -20.447 3.139 -4.422 1.00 0.00 C ATOM 166 CD GLU A 12 -20.603 2.631 -5.857 1.00 0.00 C ATOM 167 OE1 GLU A 12 -20.017 3.275 -6.753 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.304 1.610 -6.024 1.00 0.00 O ATOM 0 H GLU A 12 -17.778 2.168 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.103 5.049 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.839 5.207 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.717 4.159 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.185 2.310 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.398 3.537 -4.068 1.00 0.00 H new ATOM 175 N ALA A 13 -18.777 3.161 -0.842 1.00 0.00 N ATOM 176 CA ALA A 13 -19.489 2.730 0.350 1.00 0.00 C ATOM 177 C ALA A 13 -20.078 3.952 1.056 1.00 0.00 C ATOM 178 O ALA A 13 -20.983 3.822 1.879 1.00 0.00 O ATOM 179 CB ALA A 13 -18.541 1.936 1.251 1.00 0.00 C ATOM 0 H ALA A 13 -17.765 3.038 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.316 2.071 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.074 1.613 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.173 1.063 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.699 2.566 1.539 1.00 0.00 H new ATOM 185 N THR A 14 -19.541 5.113 0.710 1.00 0.00 N ATOM 186 CA THR A 14 -20.002 6.357 1.301 1.00 0.00 C ATOM 187 C THR A 14 -20.737 7.202 0.259 1.00 0.00 C ATOM 188 O THR A 14 -21.209 6.679 -0.749 1.00 0.00 O ATOM 189 CB THR A 14 -18.793 7.066 1.915 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.213 7.773 0.822 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.699 6.088 2.349 1.00 0.00 C ATOM 0 H THR A 14 -18.790 5.218 0.027 1.00 0.00 H new ATOM 0 HA THR A 14 -20.726 6.173 2.094 1.00 0.00 H new ATOM 0 HB THR A 14 -19.115 7.655 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.423 8.263 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.864 6.643 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.100 5.401 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.353 5.522 1.484 1.00 0.00 H new ATOM 199 N LYS A 15 -20.812 8.495 0.538 1.00 0.00 N ATOM 200 CA LYS A 15 -21.482 9.418 -0.362 1.00 0.00 C ATOM 201 C LYS A 15 -20.460 10.000 -1.342 1.00 0.00 C ATOM 202 O LYS A 15 -20.635 11.111 -1.840 1.00 0.00 O ATOM 203 CB LYS A 15 -22.247 10.479 0.430 1.00 0.00 C ATOM 204 CG LYS A 15 -23.203 9.831 1.434 1.00 0.00 C ATOM 205 CD LYS A 15 -24.406 10.736 1.709 1.00 0.00 C ATOM 206 CE LYS A 15 -24.021 11.893 2.632 1.00 0.00 C ATOM 207 NZ LYS A 15 -24.318 13.192 1.987 1.00 0.00 N ATOM 0 H LYS A 15 -20.419 8.925 1.375 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.232 8.895 -0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.543 11.123 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.809 11.114 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.546 8.871 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.675 9.629 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.792 11.129 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.207 10.154 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.568 11.814 3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.960 11.835 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.051 13.967 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.777 13.272 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -25.335 13.251 1.778 1.00 0.00 H new ATOM 221 N GLN A 16 -19.416 9.223 -1.589 1.00 0.00 N ATOM 222 CA GLN A 16 -18.366 9.647 -2.500 1.00 0.00 C ATOM 223 C GLN A 16 -17.733 8.433 -3.182 1.00 0.00 C ATOM 224 O GLN A 16 -16.756 7.855 -2.711 1.00 0.00 O ATOM 225 CB GLN A 16 -17.310 10.479 -1.770 1.00 0.00 C ATOM 226 CG GLN A 16 -17.285 11.916 -2.294 1.00 0.00 C ATOM 227 CD GLN A 16 -18.573 12.656 -1.928 1.00 0.00 C ATOM 228 OE1 GLN A 16 -18.992 12.696 -0.782 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.175 13.238 -2.961 1.00 0.00 N ATOM 0 H GLN A 16 -19.274 8.302 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.811 10.279 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.520 10.482 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.329 10.023 -1.901 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -16.427 12.444 -1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.160 11.910 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.770 13.165 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.042 13.757 -2.820 1.00 0.00 H new ATOM 238 N PRO A 17 -18.320 8.056 -4.320 1.00 0.00 N ATOM 239 CA PRO A 17 -17.887 6.938 -5.130 1.00 0.00 C ATOM 240 C PRO A 17 -16.534 7.253 -5.754 1.00 0.00 C ATOM 241 O PRO A 17 -16.453 8.179 -6.559 1.00 0.00 O ATOM 242 CB PRO A 17 -18.963 6.791 -6.203 1.00 0.00 C ATOM 243 CG PRO A 17 -20.148 7.640 -5.753 1.00 0.00 C ATOM 244 CD PRO A 17 -19.470 8.713 -4.903 1.00 0.00 C ATOM 0 HA PRO A 17 -17.767 6.020 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.592 7.126 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.256 5.747 -6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.686 8.069 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.870 7.060 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.171 9.567 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.142 9.090 -4.132 1.00 0.00 H new ATOM 252 N VAL A 18 -15.516 6.494 -5.378 1.00 0.00 N ATOM 253 CA VAL A 18 -14.182 6.712 -5.912 1.00 0.00 C ATOM 254 C VAL A 18 -13.597 5.376 -6.374 1.00 0.00 C ATOM 255 O VAL A 18 -13.349 4.489 -5.560 1.00 0.00 O ATOM 256 CB VAL A 18 -13.311 7.419 -4.872 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.897 7.653 -5.409 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.951 8.734 -4.423 1.00 0.00 C ATOM 0 H VAL A 18 -15.588 5.727 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.222 7.367 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.236 6.769 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.298 8.157 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.438 6.695 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.946 8.273 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.311 9.216 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.071 9.392 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.927 8.532 -3.982 1.00 0.00 H new ATOM 268 N VAL A 19 -13.394 5.275 -7.680 1.00 0.00 N ATOM 269 CA VAL A 19 -12.843 4.062 -8.259 1.00 0.00 C ATOM 270 C VAL A 19 -11.315 4.151 -8.260 1.00 0.00 C ATOM 271 O VAL A 19 -10.753 5.234 -8.409 1.00 0.00 O ATOM 272 CB VAL A 19 -13.429 3.836 -9.654 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.520 4.427 -10.733 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.684 2.348 -9.907 1.00 0.00 C ATOM 0 H VAL A 19 -13.601 6.013 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.118 3.194 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.387 4.354 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.960 4.253 -11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.411 5.499 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.541 3.951 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.101 2.215 -10.905 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.745 1.800 -9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.388 1.968 -9.167 1.00 0.00 H new ATOM 284 N PHE A 20 -10.688 2.996 -8.091 1.00 0.00 N ATOM 285 CA PHE A 20 -9.236 2.930 -8.070 1.00 0.00 C ATOM 286 C PHE A 20 -8.734 1.669 -8.777 1.00 0.00 C ATOM 287 O PHE A 20 -9.010 0.555 -8.337 1.00 0.00 O ATOM 288 CB PHE A 20 -8.812 2.879 -6.600 1.00 0.00 C ATOM 289 CG PHE A 20 -7.598 1.987 -6.334 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.764 0.650 -6.148 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.353 2.532 -6.283 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.636 -0.177 -5.900 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.226 1.704 -6.035 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.391 0.367 -5.849 1.00 0.00 C ATOM 0 H PHE A 20 -11.158 2.099 -7.967 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.817 3.794 -8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.588 3.891 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.651 2.522 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.753 0.217 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.221 3.594 -6.431 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.767 -1.239 -5.752 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.237 2.137 -5.994 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.534 -0.262 -5.661 1.00 0.00 H new ATOM 304 N ASN A 21 -8.006 1.889 -9.862 1.00 0.00 N ATOM 305 CA ASN A 21 -7.463 0.784 -10.635 1.00 0.00 C ATOM 306 C ASN A 21 -6.056 0.458 -10.131 1.00 0.00 C ATOM 307 O ASN A 21 -5.270 1.355 -9.832 1.00 0.00 O ATOM 308 CB ASN A 21 -7.363 1.146 -12.118 1.00 0.00 C ATOM 309 CG ASN A 21 -8.399 2.208 -12.494 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.082 3.356 -12.756 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.651 1.761 -12.507 1.00 0.00 N ATOM 0 H ASN A 21 -7.779 2.815 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.130 -0.070 -10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.362 1.515 -12.339 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.515 0.254 -12.725 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.415 2.392 -12.747 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.847 0.787 -12.277 1.00 0.00 H new ATOM 318 N HIS A 22 -5.773 -0.842 -10.051 1.00 0.00 N ATOM 319 CA HIS A 22 -4.483 -1.345 -9.593 1.00 0.00 C ATOM 320 C HIS A 22 -3.388 -0.970 -10.608 1.00 0.00 C ATOM 321 O HIS A 22 -2.244 -0.730 -10.223 1.00 0.00 O ATOM 322 CB HIS A 22 -4.604 -2.852 -9.323 1.00 0.00 C ATOM 323 CG HIS A 22 -5.173 -3.259 -7.983 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.461 -3.572 -7.813 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.582 -3.393 -6.750 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.665 -3.889 -6.525 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.536 -3.795 -5.823 1.00 0.00 N ATOM 0 H HIS A 22 -6.435 -1.576 -10.303 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.186 -0.882 -8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.227 -3.288 -10.104 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.613 -3.296 -9.421 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.173 -3.570 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.539 -3.214 -6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.619 -4.182 -6.112 1.00 0.00 H new ATOM 335 N SER A 23 -3.777 -0.932 -11.874 1.00 0.00 N ATOM 336 CA SER A 23 -2.844 -0.590 -12.934 1.00 0.00 C ATOM 337 C SER A 23 -2.207 0.772 -12.652 1.00 0.00 C ATOM 338 O SER A 23 -1.019 0.969 -12.901 1.00 0.00 O ATOM 339 CB SER A 23 -3.539 -0.580 -14.297 1.00 0.00 C ATOM 340 OG SER A 23 -4.492 0.474 -14.402 1.00 0.00 O ATOM 0 H SER A 23 -4.726 -1.132 -12.190 1.00 0.00 H new ATOM 0 HA SER A 23 -2.063 -1.350 -12.960 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.792 -0.474 -15.084 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.037 -1.536 -14.457 1.00 0.00 H new ATOM 0 HG SER A 23 -4.913 0.448 -15.287 1.00 0.00 H new ATOM 346 N THR A 24 -3.026 1.677 -12.136 1.00 0.00 N ATOM 347 CA THR A 24 -2.558 3.015 -11.818 1.00 0.00 C ATOM 348 C THR A 24 -1.833 3.020 -10.470 1.00 0.00 C ATOM 349 O THR A 24 -1.336 4.052 -10.026 1.00 0.00 O ATOM 350 CB THR A 24 -3.760 3.960 -11.864 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.677 3.402 -10.926 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.506 3.894 -13.198 1.00 0.00 C ATOM 0 H THR A 24 -4.011 1.510 -11.930 1.00 0.00 H new ATOM 0 HA THR A 24 -1.826 3.361 -12.547 1.00 0.00 H new ATOM 0 HB THR A 24 -3.425 4.982 -11.685 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.401 2.488 -10.703 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.350 4.584 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.830 4.171 -14.007 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.870 2.880 -13.361 1.00 0.00 H new ATOM 360 N HIS A 25 -1.793 1.841 -9.848 1.00 0.00 N ATOM 361 CA HIS A 25 -1.145 1.650 -8.555 1.00 0.00 C ATOM 362 C HIS A 25 -0.595 0.215 -8.455 1.00 0.00 C ATOM 363 O HIS A 25 -0.855 -0.479 -7.474 1.00 0.00 O ATOM 364 CB HIS A 25 -2.135 2.026 -7.443 1.00 0.00 C ATOM 365 CG HIS A 25 -2.655 3.445 -7.447 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.648 3.845 -8.248 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.285 4.549 -6.717 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.886 5.147 -8.026 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.072 5.631 -7.089 1.00 0.00 N ATOM 0 H HIS A 25 -2.210 0.992 -10.229 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.282 2.306 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.989 1.351 -7.505 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.653 1.843 -6.483 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.144 3.257 -8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.504 4.572 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.639 5.726 -8.540 1.00 0.00 H new ATOM 377 N LYS A 26 0.150 -0.179 -9.478 1.00 0.00 N ATOM 378 CA LYS A 26 0.732 -1.510 -9.511 1.00 0.00 C ATOM 379 C LYS A 26 2.221 -1.418 -9.174 1.00 0.00 C ATOM 380 O LYS A 26 2.851 -2.424 -8.850 1.00 0.00 O ATOM 381 CB LYS A 26 0.445 -2.187 -10.852 1.00 0.00 C ATOM 382 CG LYS A 26 -0.775 -3.105 -10.754 1.00 0.00 C ATOM 383 CD LYS A 26 -0.359 -4.576 -10.803 1.00 0.00 C ATOM 384 CE LYS A 26 -0.505 -5.141 -12.217 1.00 0.00 C ATOM 385 NZ LYS A 26 0.128 -4.237 -13.204 1.00 0.00 N ATOM 0 H LYS A 26 0.364 0.400 -10.290 1.00 0.00 H new ATOM 0 HA LYS A 26 0.272 -2.146 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.274 -1.429 -11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.315 -2.765 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.311 -2.906 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.463 -2.890 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.675 -4.676 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.972 -5.154 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.044 -6.127 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.561 -5.269 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.202 -4.722 -14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.451 -3.380 -13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.078 -3.974 -12.874 1.00 0.00 H new ATOM 399 N SER A 27 2.742 -0.203 -9.261 1.00 0.00 N ATOM 400 CA SER A 27 4.146 0.032 -8.969 1.00 0.00 C ATOM 401 C SER A 27 4.321 0.385 -7.491 1.00 0.00 C ATOM 402 O SER A 27 5.206 1.163 -7.135 1.00 0.00 O ATOM 403 CB SER A 27 4.713 1.146 -9.852 1.00 0.00 C ATOM 404 OG SER A 27 4.447 2.439 -9.315 1.00 0.00 O ATOM 0 H SER A 27 2.217 0.629 -9.530 1.00 0.00 H new ATOM 0 HA SER A 27 4.698 -0.883 -9.185 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.789 1.012 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.282 1.072 -10.851 1.00 0.00 H new ATOM 0 HG SER A 27 4.869 2.520 -8.434 1.00 0.00 H new ATOM 410 N VAL A 28 3.464 -0.204 -6.669 1.00 0.00 N ATOM 411 CA VAL A 28 3.513 0.039 -5.238 1.00 0.00 C ATOM 412 C VAL A 28 3.290 -1.279 -4.494 1.00 0.00 C ATOM 413 O VAL A 28 2.442 -2.080 -4.883 1.00 0.00 O ATOM 414 CB VAL A 28 2.501 1.120 -4.855 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.217 1.099 -3.352 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.980 2.503 -5.303 1.00 0.00 C ATOM 0 H VAL A 28 2.732 -0.849 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 28 4.494 0.415 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 28 1.568 0.903 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.494 1.878 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.812 0.127 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.142 1.278 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.242 3.253 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.932 2.731 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.107 2.511 -6.386 1.00 0.00 H new ATOM 426 N LYS A 29 4.067 -1.463 -3.436 1.00 0.00 N ATOM 427 CA LYS A 29 3.964 -2.670 -2.634 1.00 0.00 C ATOM 428 C LYS A 29 2.531 -2.814 -2.117 1.00 0.00 C ATOM 429 O LYS A 29 1.929 -1.840 -1.667 1.00 0.00 O ATOM 430 CB LYS A 29 5.020 -2.669 -1.527 1.00 0.00 C ATOM 431 CG LYS A 29 5.500 -4.091 -1.225 1.00 0.00 C ATOM 432 CD LYS A 29 5.541 -4.347 0.283 1.00 0.00 C ATOM 433 CE LYS A 29 6.930 -4.050 0.852 1.00 0.00 C ATOM 434 NZ LYS A 29 6.829 -3.614 2.263 1.00 0.00 N ATOM 0 H LYS A 29 4.770 -0.797 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 29 4.173 -3.550 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.867 -2.052 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.605 -2.222 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.836 -4.812 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.492 -4.242 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.799 -3.723 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.275 -5.384 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.555 -4.940 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.414 -3.274 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.780 -3.416 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.249 -2.752 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.386 -4.367 2.828 1.00 0.00 H new ATOM 448 N CYS A 30 2.027 -4.036 -2.198 1.00 0.00 N ATOM 449 CA CYS A 30 0.676 -4.320 -1.743 1.00 0.00 C ATOM 450 C CYS A 30 0.577 -3.940 -0.264 1.00 0.00 C ATOM 451 O CYS A 30 -0.509 -3.647 0.234 1.00 0.00 O ATOM 452 CB CYS A 30 0.294 -5.782 -1.983 1.00 0.00 C ATOM 453 SG CYS A 30 0.982 -6.514 -3.513 1.00 0.00 S ATOM 0 H CYS A 30 2.529 -4.841 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.036 -3.728 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.628 -6.375 -1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.793 -5.858 -2.017 1.00 0.00 H new ATOM 458 N GLY A 31 1.726 -3.957 0.396 1.00 0.00 N ATOM 459 CA GLY A 31 1.782 -3.618 1.808 1.00 0.00 C ATOM 460 C GLY A 31 1.625 -2.110 2.016 1.00 0.00 C ATOM 461 O GLY A 31 1.562 -1.640 3.151 1.00 0.00 O ATOM 0 H GLY A 31 2.625 -4.200 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.994 -4.147 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.731 -3.950 2.228 1.00 0.00 H new ATOM 465 N ASP A 32 1.567 -1.394 0.903 1.00 0.00 N ATOM 466 CA ASP A 32 1.420 0.051 0.950 1.00 0.00 C ATOM 467 C ASP A 32 -0.058 0.402 1.136 1.00 0.00 C ATOM 468 O ASP A 32 -0.386 1.401 1.774 1.00 0.00 O ATOM 469 CB ASP A 32 1.899 0.696 -0.352 1.00 0.00 C ATOM 470 CG ASP A 32 2.343 2.154 -0.226 1.00 0.00 C ATOM 471 OD1 ASP A 32 3.502 2.360 0.194 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.514 3.030 -0.553 1.00 0.00 O ATOM 0 H ASP A 32 1.619 -1.787 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 32 2.020 0.425 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.731 0.111 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.095 0.639 -1.085 1.00 0.00 H new ATOM 477 N CYS A 33 -0.909 -0.439 0.567 1.00 0.00 N ATOM 478 CA CYS A 33 -2.344 -0.229 0.662 1.00 0.00 C ATOM 479 C CYS A 33 -2.922 -1.287 1.605 1.00 0.00 C ATOM 480 O CYS A 33 -3.680 -0.970 2.519 1.00 0.00 O ATOM 481 CB CYS A 33 -3.013 -0.263 -0.713 1.00 0.00 C ATOM 482 SG CYS A 33 -3.220 1.440 -1.351 1.00 0.00 S ATOM 0 H CYS A 33 -0.633 -1.267 0.039 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.543 0.764 1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.409 -0.849 -1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.984 -0.754 -0.642 1.00 0.00 H new ATOM 487 N HIS A 34 -2.540 -2.539 1.349 1.00 0.00 N ATOM 488 CA HIS A 34 -2.988 -3.680 2.139 1.00 0.00 C ATOM 489 C HIS A 34 -2.006 -3.928 3.299 1.00 0.00 C ATOM 490 O HIS A 34 -1.188 -4.843 3.239 1.00 0.00 O ATOM 491 CB HIS A 34 -3.182 -4.885 1.207 1.00 0.00 C ATOM 492 CG HIS A 34 -4.106 -4.690 0.027 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.436 -4.659 0.153 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.845 -4.516 -1.311 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.983 -4.474 -1.059 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.044 -4.379 -1.999 1.00 0.00 N ATOM 0 H HIS A 34 -1.910 -2.788 0.586 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.954 -3.487 2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.204 -5.182 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.560 -5.717 1.801 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.952 -4.760 1.027 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.862 -4.490 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.045 -4.411 -1.247 1.00 0.00 H new ATOM 504 N HIS A 35 -2.122 -3.093 4.332 1.00 0.00 N ATOM 505 CA HIS A 35 -1.276 -3.179 5.518 1.00 0.00 C ATOM 506 C HIS A 35 -1.618 -4.454 6.310 1.00 0.00 C ATOM 507 O HIS A 35 -2.697 -5.027 6.178 1.00 0.00 O ATOM 508 CB HIS A 35 -1.416 -1.878 6.323 1.00 0.00 C ATOM 509 CG HIS A 35 -2.706 -1.687 7.087 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.102 -2.522 8.052 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.680 -0.722 6.993 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.277 -2.095 8.540 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.679 -0.986 7.921 1.00 0.00 N ATOM 0 H HIS A 35 -2.807 -2.338 4.368 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.223 -3.270 5.252 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.590 -1.826 7.032 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.300 -1.039 5.637 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.594 -3.349 8.366 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.670 0.111 6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.825 -2.586 9.331 1.00 0.00 H new ATOM 521 N PRO A 36 -0.665 -4.883 7.141 1.00 0.00 N ATOM 522 CA PRO A 36 -0.782 -6.057 7.978 1.00 0.00 C ATOM 523 C PRO A 36 -1.898 -5.853 8.992 1.00 0.00 C ATOM 524 O PRO A 36 -1.914 -4.818 9.657 1.00 0.00 O ATOM 525 CB PRO A 36 0.573 -6.179 8.673 1.00 0.00 C ATOM 526 CG PRO A 36 1.522 -5.309 7.914 1.00 0.00 C ATOM 527 CD PRO A 36 0.615 -4.234 7.320 1.00 0.00 C ATOM 0 HA PRO A 36 -1.026 -6.957 7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.505 -5.862 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.915 -7.214 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.282 -4.879 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.046 -5.867 7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.532 -3.375 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.007 -3.866 6.372 1.00 0.00 H new ATOM 535 N VAL A 37 -2.796 -6.822 9.090 1.00 0.00 N ATOM 536 CA VAL A 37 -3.904 -6.724 10.026 1.00 0.00 C ATOM 537 C VAL A 37 -4.021 -8.033 10.809 1.00 0.00 C ATOM 538 O VAL A 37 -4.378 -9.067 10.246 1.00 0.00 O ATOM 539 CB VAL A 37 -5.188 -6.355 9.281 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.269 -5.879 10.254 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.915 -5.301 8.206 1.00 0.00 C ATOM 0 H VAL A 37 -2.779 -7.679 8.537 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.725 -5.928 10.749 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.556 -7.252 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.171 -5.623 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.494 -6.674 10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.913 -5.001 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.844 -5.057 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.511 -4.402 8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.195 -5.692 7.488 1.00 0.00 H new ATOM 551 N ASN A 38 -3.714 -7.947 12.095 1.00 0.00 N ATOM 552 CA ASN A 38 -3.781 -9.112 12.960 1.00 0.00 C ATOM 553 C ASN A 38 -2.635 -10.064 12.615 1.00 0.00 C ATOM 554 O ASN A 38 -2.818 -11.281 12.594 1.00 0.00 O ATOM 555 CB ASN A 38 -5.098 -9.867 12.766 1.00 0.00 C ATOM 556 CG ASN A 38 -5.767 -10.157 14.111 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.187 -11.266 14.399 1.00 0.00 O ATOM 558 ND2 ASN A 38 -5.842 -9.101 14.917 1.00 0.00 N ATOM 0 H ASN A 38 -3.418 -7.088 12.559 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.710 -8.770 13.993 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.770 -9.279 12.141 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.911 -10.803 12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.271 -9.192 15.838 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.471 -8.201 14.614 1.00 0.00 H new ATOM 565 N GLY A 39 -1.477 -9.476 12.354 1.00 0.00 N ATOM 566 CA GLY A 39 -0.301 -10.257 12.012 1.00 0.00 C ATOM 567 C GLY A 39 -0.589 -11.198 10.840 1.00 0.00 C ATOM 568 O GLY A 39 -0.212 -12.368 10.872 1.00 0.00 O ATOM 0 H GLY A 39 -1.328 -8.467 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.521 -9.589 11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.020 -10.836 12.878 1.00 0.00 H new ATOM 572 N LYS A 40 -1.255 -10.651 9.834 1.00 0.00 N ATOM 573 CA LYS A 40 -1.599 -11.427 8.655 1.00 0.00 C ATOM 574 C LYS A 40 -2.164 -10.493 7.582 1.00 0.00 C ATOM 575 O LYS A 40 -3.315 -10.069 7.666 1.00 0.00 O ATOM 576 CB LYS A 40 -2.538 -12.577 9.025 1.00 0.00 C ATOM 577 CG LYS A 40 -3.296 -13.083 7.796 1.00 0.00 C ATOM 578 CD LYS A 40 -4.403 -14.060 8.198 1.00 0.00 C ATOM 579 CE LYS A 40 -4.155 -15.446 7.598 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.626 -16.502 8.522 1.00 0.00 N ATOM 0 H LYS A 40 -1.566 -9.680 9.811 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.709 -11.895 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.964 -13.393 9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.247 -12.243 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.728 -12.239 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.603 -13.574 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.451 -14.133 9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.368 -13.681 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.672 -15.533 6.643 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.092 -15.577 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.450 -17.436 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.114 -16.428 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.645 -16.385 8.692 1.00 0.00 H new ATOM 594 N GLU A 41 -1.326 -10.201 6.597 1.00 0.00 N ATOM 595 CA GLU A 41 -1.727 -9.325 5.510 1.00 0.00 C ATOM 596 C GLU A 41 -3.216 -9.502 5.206 1.00 0.00 C ATOM 597 O GLU A 41 -3.681 -10.622 4.997 1.00 0.00 O ATOM 598 CB GLU A 41 -0.879 -9.578 4.261 1.00 0.00 C ATOM 599 CG GLU A 41 0.384 -8.714 4.272 1.00 0.00 C ATOM 600 CD GLU A 41 1.425 -9.254 3.289 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.099 -10.249 2.607 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.524 -8.659 3.244 1.00 0.00 O ATOM 0 H GLU A 41 -0.372 -10.556 6.530 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.560 -8.294 5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.603 -10.631 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.465 -9.360 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.129 -7.687 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.805 -8.691 5.277 1.00 0.00 H new ATOM 609 N ASP A 42 -3.922 -8.381 5.192 1.00 0.00 N ATOM 610 CA ASP A 42 -5.349 -8.399 4.918 1.00 0.00 C ATOM 611 C ASP A 42 -5.623 -7.648 3.613 1.00 0.00 C ATOM 612 O ASP A 42 -4.944 -6.687 3.258 1.00 0.00 O ATOM 613 CB ASP A 42 -6.133 -7.707 6.035 1.00 0.00 C ATOM 614 CG ASP A 42 -7.197 -8.574 6.711 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.337 -9.739 6.281 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.846 -8.052 7.643 1.00 0.00 O ATOM 0 H ASP A 42 -3.533 -7.454 5.366 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.665 -9.440 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.429 -7.364 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.616 -6.820 5.624 1.00 0.00 H new ATOM 621 N TYR A 43 -6.647 -8.117 2.897 1.00 0.00 N ATOM 622 CA TYR A 43 -7.034 -7.517 1.636 1.00 0.00 C ATOM 623 C TYR A 43 -8.544 -7.333 1.594 1.00 0.00 C ATOM 624 O TYR A 43 -9.097 -7.208 0.502 1.00 0.00 O ATOM 625 CB TYR A 43 -6.565 -8.405 0.488 1.00 0.00 C ATOM 626 CG TYR A 43 -5.095 -8.257 0.172 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.135 -8.631 1.120 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.694 -7.746 -1.067 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.773 -8.493 0.828 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.331 -7.608 -1.359 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.371 -7.982 -0.412 1.00 0.00 C ATOM 632 OH TYR A 43 -1.044 -7.847 -0.696 1.00 0.00 O ATOM 0 H TYR A 43 -7.220 -8.913 3.177 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.567 -6.537 1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.772 -9.446 0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.146 -8.169 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.445 -9.026 2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.435 -7.458 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.032 -8.781 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.021 -7.213 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.853 -8.254 -1.566 1.00 0.00 H new ATOM 642 N ARG A 44 -9.174 -7.319 2.760 1.00 0.00 N ATOM 643 CA ARG A 44 -10.615 -7.149 2.831 1.00 0.00 C ATOM 644 C ARG A 44 -10.978 -5.664 2.768 1.00 0.00 C ATOM 645 O ARG A 44 -10.108 -4.803 2.890 1.00 0.00 O ATOM 646 CB ARG A 44 -11.178 -7.751 4.120 1.00 0.00 C ATOM 647 CG ARG A 44 -10.271 -8.865 4.646 1.00 0.00 C ATOM 648 CD ARG A 44 -11.033 -9.787 5.601 1.00 0.00 C ATOM 649 NE ARG A 44 -10.111 -10.330 6.623 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.505 -10.798 7.826 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.811 -10.791 8.169 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.595 -11.260 8.663 1.00 0.00 N ATOM 0 H ARG A 44 -8.712 -7.423 3.663 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.053 -7.670 1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.279 -6.972 4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.177 -8.147 3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.879 -9.445 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.415 -8.429 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.841 -9.237 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.492 -10.603 5.043 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.115 -10.352 6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.508 -10.430 7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.101 -11.146 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.610 -11.260 8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.876 -11.617 9.576 1.00 0.00 H new ATOM 665 N LYS A 45 -12.264 -5.410 2.578 1.00 0.00 N ATOM 666 CA LYS A 45 -12.753 -4.044 2.498 1.00 0.00 C ATOM 667 C LYS A 45 -12.021 -3.183 3.530 1.00 0.00 C ATOM 668 O LYS A 45 -11.997 -3.514 4.714 1.00 0.00 O ATOM 669 CB LYS A 45 -14.276 -4.010 2.639 1.00 0.00 C ATOM 670 CG LYS A 45 -14.931 -5.082 1.766 1.00 0.00 C ATOM 671 CD LYS A 45 -16.196 -4.544 1.094 1.00 0.00 C ATOM 672 CE LYS A 45 -17.183 -5.675 0.798 1.00 0.00 C ATOM 673 NZ LYS A 45 -18.574 -5.222 1.025 1.00 0.00 N ATOM 0 H LYS A 45 -12.983 -6.127 2.477 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.537 -3.620 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.552 -4.167 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.649 -3.026 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.226 -5.418 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.180 -5.951 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.669 -3.804 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.931 -4.035 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.066 -6.007 -0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.965 -6.532 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.231 -6.002 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.686 -4.927 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.784 -4.418 0.399 1.00 0.00 H new ATOM 687 N CYS A 46 -11.441 -2.096 3.042 1.00 0.00 N ATOM 688 CA CYS A 46 -10.709 -1.186 3.907 1.00 0.00 C ATOM 689 C CYS A 46 -11.523 -0.982 5.187 1.00 0.00 C ATOM 690 O CYS A 46 -10.970 -0.983 6.285 1.00 0.00 O ATOM 691 CB CYS A 46 -10.406 0.139 3.206 1.00 0.00 C ATOM 692 SG CYS A 46 -9.004 0.082 2.030 1.00 0.00 S ATOM 0 H CYS A 46 -11.463 -1.825 2.059 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.740 -1.618 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.298 0.463 2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.197 0.895 3.963 1.00 0.00 H new ATOM 697 N GLY A 47 -12.824 -0.811 5.002 1.00 0.00 N ATOM 698 CA GLY A 47 -13.719 -0.606 6.127 1.00 0.00 C ATOM 699 C GLY A 47 -14.135 -1.941 6.748 1.00 0.00 C ATOM 700 O GLY A 47 -13.430 -2.480 7.600 1.00 0.00 O ATOM 0 H GLY A 47 -13.279 -0.810 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.228 0.011 6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.605 -0.063 5.797 1.00 0.00 H new ATOM 704 N THR A 48 -15.278 -2.436 6.297 1.00 0.00 N ATOM 705 CA THR A 48 -15.796 -3.698 6.797 1.00 0.00 C ATOM 706 C THR A 48 -15.929 -3.654 8.321 1.00 0.00 C ATOM 707 O THR A 48 -15.177 -2.949 8.993 1.00 0.00 O ATOM 708 CB THR A 48 -14.877 -4.817 6.300 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.710 -5.596 5.446 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.478 -5.785 7.416 1.00 0.00 C ATOM 0 H THR A 48 -15.860 -1.986 5.591 1.00 0.00 H new ATOM 0 HA THR A 48 -16.800 -3.890 6.419 1.00 0.00 H new ATOM 0 HB THR A 48 -13.980 -4.382 5.859 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.194 -6.343 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.826 -6.559 7.011 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.950 -5.240 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.372 -6.246 7.835 1.00 0.00 H new ATOM 718 N ALA A 49 -16.891 -4.415 8.821 1.00 0.00 N ATOM 719 CA ALA A 49 -17.132 -4.471 10.253 1.00 0.00 C ATOM 720 C ALA A 49 -15.944 -5.147 10.940 1.00 0.00 C ATOM 721 O ALA A 49 -15.597 -6.281 10.614 1.00 0.00 O ATOM 722 CB ALA A 49 -18.451 -5.199 10.521 1.00 0.00 C ATOM 0 H ALA A 49 -17.513 -4.998 8.260 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.224 -3.466 10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.632 -5.241 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.267 -4.663 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.395 -6.212 10.123 1.00 0.00 H new ATOM 728 N GLY A 50 -15.353 -4.422 11.879 1.00 0.00 N ATOM 729 CA GLY A 50 -14.211 -4.937 12.615 1.00 0.00 C ATOM 730 C GLY A 50 -12.976 -4.061 12.393 1.00 0.00 C ATOM 731 O GLY A 50 -11.943 -4.266 13.030 1.00 0.00 O ATOM 0 H GLY A 50 -15.644 -3.482 12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.447 -4.977 13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.999 -5.958 12.297 1.00 0.00 H new ATOM 735 N CYS A 51 -13.122 -3.105 11.488 1.00 0.00 N ATOM 736 CA CYS A 51 -12.032 -2.198 11.174 1.00 0.00 C ATOM 737 C CYS A 51 -12.607 -0.788 11.024 1.00 0.00 C ATOM 738 O CYS A 51 -13.492 -0.385 11.776 1.00 0.00 O ATOM 739 CB CYS A 51 -11.270 -2.639 9.923 1.00 0.00 C ATOM 740 SG CYS A 51 -11.085 -4.460 9.913 1.00 0.00 S ATOM 0 H CYS A 51 -13.980 -2.939 10.962 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.304 -2.208 11.985 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.803 -2.314 9.029 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.289 -2.165 9.899 1.00 0.00 H new ATOM 745 N HIS A 52 -12.077 -0.065 10.037 1.00 0.00 N ATOM 746 CA HIS A 52 -12.498 1.299 9.741 1.00 0.00 C ATOM 747 C HIS A 52 -13.996 1.316 9.383 1.00 0.00 C ATOM 748 O HIS A 52 -14.350 1.336 8.205 1.00 0.00 O ATOM 749 CB HIS A 52 -11.582 1.877 8.652 1.00 0.00 C ATOM 750 CG HIS A 52 -10.096 1.677 8.838 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.369 2.422 9.677 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.222 0.787 8.262 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.092 2.012 9.625 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.946 1.004 8.767 1.00 0.00 N ATOM 0 H HIS A 52 -11.342 -0.412 9.421 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.395 1.946 10.612 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.868 1.435 7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.775 2.947 8.578 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.726 3.178 10.261 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.486 0.037 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.288 2.443 10.203 1.00 0.00 H new ATOM 762 N ASP A 53 -14.826 1.309 10.416 1.00 0.00 N ATOM 763 CA ASP A 53 -16.265 1.324 10.220 1.00 0.00 C ATOM 764 C ASP A 53 -16.833 2.646 10.740 1.00 0.00 C ATOM 765 O ASP A 53 -17.998 2.715 11.129 1.00 0.00 O ATOM 766 CB ASP A 53 -16.938 0.185 10.990 1.00 0.00 C ATOM 767 CG ASP A 53 -17.201 0.472 12.469 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.218 0.804 13.166 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.379 0.352 12.870 1.00 0.00 O ATOM 0 H ASP A 53 -14.529 1.293 11.392 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.461 1.204 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.886 -0.050 10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.313 -0.704 10.914 1.00 0.00 H new ATOM 774 N SER A 54 -15.983 3.662 10.730 1.00 0.00 N ATOM 775 CA SER A 54 -16.385 4.979 11.196 1.00 0.00 C ATOM 776 C SER A 54 -16.632 5.903 10.002 1.00 0.00 C ATOM 777 O SER A 54 -15.733 6.133 9.194 1.00 0.00 O ATOM 778 CB SER A 54 -15.329 5.581 12.125 1.00 0.00 C ATOM 779 OG SER A 54 -15.481 6.991 12.262 1.00 0.00 O ATOM 0 H SER A 54 -15.018 3.600 10.407 1.00 0.00 H new ATOM 0 HA SER A 54 -17.310 4.874 11.763 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.399 5.112 13.106 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.335 5.359 11.736 1.00 0.00 H new ATOM 0 HG SER A 54 -14.789 7.338 12.864 1.00 0.00 H new ATOM 785 N MET A 55 -17.854 6.409 9.929 1.00 0.00 N ATOM 786 CA MET A 55 -18.230 7.304 8.847 1.00 0.00 C ATOM 787 C MET A 55 -18.963 8.535 9.384 1.00 0.00 C ATOM 788 O MET A 55 -20.103 8.799 9.003 1.00 0.00 O ATOM 789 CB MET A 55 -19.134 6.561 7.861 1.00 0.00 C ATOM 790 CG MET A 55 -18.529 5.211 7.473 1.00 0.00 C ATOM 791 SD MET A 55 -18.338 5.114 5.701 1.00 0.00 S ATOM 792 CE MET A 55 -18.102 3.355 5.510 1.00 0.00 C ATOM 0 H MET A 55 -18.597 6.217 10.601 1.00 0.00 H new ATOM 0 HA MET A 55 -17.323 7.636 8.343 1.00 0.00 H new ATOM 0 HB2 MET A 55 -20.117 6.408 8.307 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.280 7.168 6.968 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.562 5.084 7.959 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.170 4.402 7.823 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.966 3.119 4.455 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.219 3.044 6.068 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.976 2.827 5.890 1.00 0.00 H new ATOM 802 N ASP A 56 -18.279 9.257 10.260 1.00 0.00 N ATOM 803 CA ASP A 56 -18.850 10.454 10.852 1.00 0.00 C ATOM 804 C ASP A 56 -17.894 11.629 10.640 1.00 0.00 C ATOM 805 O ASP A 56 -16.766 11.442 10.187 1.00 0.00 O ATOM 806 CB ASP A 56 -19.057 10.278 12.358 1.00 0.00 C ATOM 807 CG ASP A 56 -19.777 11.436 13.052 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.528 12.142 12.345 1.00 0.00 O ATOM 809 OD2 ASP A 56 -19.560 11.589 14.273 1.00 0.00 O ATOM 0 H ASP A 56 -17.334 9.035 10.574 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.812 10.640 10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.625 9.363 12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.084 10.140 12.830 1.00 0.00 H new ATOM 814 N LYS A 57 -18.380 12.814 10.978 1.00 0.00 N ATOM 815 CA LYS A 57 -17.583 14.020 10.830 1.00 0.00 C ATOM 816 C LYS A 57 -17.205 14.550 12.215 1.00 0.00 C ATOM 817 O LYS A 57 -17.827 15.485 12.716 1.00 0.00 O ATOM 818 CB LYS A 57 -18.315 15.043 9.959 1.00 0.00 C ATOM 819 CG LYS A 57 -17.370 16.163 9.518 1.00 0.00 C ATOM 820 CD LYS A 57 -18.153 17.419 9.130 1.00 0.00 C ATOM 821 CE LYS A 57 -17.216 18.508 8.603 1.00 0.00 C ATOM 822 NZ LYS A 57 -16.422 19.088 9.709 1.00 0.00 N ATOM 0 H LYS A 57 -19.316 12.965 11.354 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.652 13.799 10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.732 14.548 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.152 15.466 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.676 16.397 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.772 15.827 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.892 17.170 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.700 17.793 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.549 18.089 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.797 19.291 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.841 19.871 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.063 19.445 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.803 18.356 10.113 1.00 0.00 H new ATOM 836 N LYS A 58 -16.188 13.929 12.794 1.00 0.00 N ATOM 837 CA LYS A 58 -15.720 14.326 14.111 1.00 0.00 C ATOM 838 C LYS A 58 -14.839 13.217 14.690 1.00 0.00 C ATOM 839 O LYS A 58 -13.614 13.328 14.686 1.00 0.00 O ATOM 840 CB LYS A 58 -16.901 14.704 15.007 1.00 0.00 C ATOM 841 CG LYS A 58 -17.064 16.223 15.088 1.00 0.00 C ATOM 842 CD LYS A 58 -16.332 16.789 16.306 1.00 0.00 C ATOM 843 CE LYS A 58 -16.691 18.260 16.527 1.00 0.00 C ATOM 844 NZ LYS A 58 -15.957 19.121 15.573 1.00 0.00 N ATOM 0 H LYS A 58 -15.675 13.153 12.375 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.102 15.221 14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.815 14.257 14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.748 14.297 16.007 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.675 16.683 14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.123 16.476 15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.592 16.210 17.192 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.256 16.691 16.166 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.765 18.401 16.402 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.448 18.550 17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.212 20.116 15.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.934 18.999 15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.209 18.854 14.600 1.00 0.00 H new ATOM 858 N ASP A 59 -15.497 12.175 15.175 1.00 0.00 N ATOM 859 CA ASP A 59 -14.788 11.047 15.756 1.00 0.00 C ATOM 860 C ASP A 59 -13.541 10.749 14.922 1.00 0.00 C ATOM 861 O ASP A 59 -13.641 10.448 13.734 1.00 0.00 O ATOM 862 CB ASP A 59 -15.663 9.792 15.764 1.00 0.00 C ATOM 863 CG ASP A 59 -14.951 8.511 16.203 1.00 0.00 C ATOM 864 OD1 ASP A 59 -13.900 8.209 15.598 1.00 0.00 O ATOM 865 OD2 ASP A 59 -15.474 7.862 17.135 1.00 0.00 O ATOM 0 H ASP A 59 -16.513 12.088 15.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.522 11.308 16.780 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.512 9.963 16.426 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.065 9.641 14.762 1.00 0.00 H new ATOM 870 N LYS A 60 -12.393 10.844 15.578 1.00 0.00 N ATOM 871 CA LYS A 60 -11.127 10.589 14.912 1.00 0.00 C ATOM 872 C LYS A 60 -10.691 9.149 15.189 1.00 0.00 C ATOM 873 O LYS A 60 -11.522 8.242 15.228 1.00 0.00 O ATOM 874 CB LYS A 60 -10.087 11.635 15.318 1.00 0.00 C ATOM 875 CG LYS A 60 -9.123 11.926 14.167 1.00 0.00 C ATOM 876 CD LYS A 60 -9.598 13.124 13.343 1.00 0.00 C ATOM 877 CE LYS A 60 -9.117 13.019 11.894 1.00 0.00 C ATOM 878 NZ LYS A 60 -7.754 13.579 11.759 1.00 0.00 N ATOM 0 H LYS A 60 -12.314 11.094 16.564 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.239 10.687 13.832 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.589 12.555 15.618 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.528 11.280 16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.127 12.125 14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.041 11.048 13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.686 13.177 13.366 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.225 14.047 13.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.121 11.976 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.803 13.554 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.443 13.500 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.760 14.580 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.100 13.051 12.371 1.00 0.00 H new ATOM 892 N SER A 61 -9.390 8.983 15.375 1.00 0.00 N ATOM 893 CA SER A 61 -8.834 7.668 15.646 1.00 0.00 C ATOM 894 C SER A 61 -8.533 6.946 14.332 1.00 0.00 C ATOM 895 O SER A 61 -8.873 7.438 13.257 1.00 0.00 O ATOM 896 CB SER A 61 -9.787 6.834 16.504 1.00 0.00 C ATOM 897 OG SER A 61 -10.543 7.642 17.403 1.00 0.00 O ATOM 0 H SER A 61 -8.704 9.738 15.343 1.00 0.00 H new ATOM 0 HA SER A 61 -7.906 7.797 16.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.466 6.279 15.857 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.215 6.099 17.071 1.00 0.00 H new ATOM 0 HG SER A 61 -11.393 7.891 16.983 1.00 0.00 H new ATOM 903 N ALA A 62 -7.897 5.791 14.461 1.00 0.00 N ATOM 904 CA ALA A 62 -7.546 4.995 13.297 1.00 0.00 C ATOM 905 C ALA A 62 -8.816 4.386 12.699 1.00 0.00 C ATOM 906 O ALA A 62 -8.805 3.907 11.566 1.00 0.00 O ATOM 907 CB ALA A 62 -6.521 3.932 13.695 1.00 0.00 C ATOM 0 H ALA A 62 -7.615 5.387 15.354 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.087 5.619 12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.258 3.335 12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.627 4.417 14.086 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.947 3.285 14.462 1.00 0.00 H new ATOM 913 N LYS A 63 -9.880 4.423 13.488 1.00 0.00 N ATOM 914 CA LYS A 63 -11.155 3.879 13.051 1.00 0.00 C ATOM 915 C LYS A 63 -11.675 4.700 11.869 1.00 0.00 C ATOM 916 O LYS A 63 -12.323 4.161 10.973 1.00 0.00 O ATOM 917 CB LYS A 63 -12.134 3.801 14.224 1.00 0.00 C ATOM 918 CG LYS A 63 -12.032 2.450 14.935 1.00 0.00 C ATOM 919 CD LYS A 63 -12.334 1.300 13.972 1.00 0.00 C ATOM 920 CE LYS A 63 -13.191 0.228 14.649 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.709 -1.124 14.290 1.00 0.00 N ATOM 0 H LYS A 63 -9.885 4.821 14.427 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.033 2.854 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.925 4.604 14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.152 3.950 13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.032 2.328 15.350 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.730 2.422 15.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.852 1.684 13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.400 0.858 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.158 0.357 15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.232 0.342 14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.952 -1.792 15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.159 -1.429 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.677 -1.103 14.165 1.00 0.00 H new ATOM 935 N GLY A 64 -11.374 5.989 11.906 1.00 0.00 N ATOM 936 CA GLY A 64 -11.803 6.889 10.849 1.00 0.00 C ATOM 937 C GLY A 64 -11.540 6.280 9.470 1.00 0.00 C ATOM 938 O GLY A 64 -10.418 5.919 9.120 1.00 0.00 O ATOM 0 H GLY A 64 -10.838 6.432 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.866 7.104 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.275 7.838 10.938 1.00 0.00 H new ATOM 942 N TYR A 65 -12.614 6.174 8.686 1.00 0.00 N ATOM 943 CA TYR A 65 -12.532 5.616 7.351 1.00 0.00 C ATOM 944 C TYR A 65 -11.819 6.593 6.427 1.00 0.00 C ATOM 945 O TYR A 65 -10.896 6.213 5.709 1.00 0.00 O ATOM 946 CB TYR A 65 -13.938 5.316 6.839 1.00 0.00 C ATOM 947 CG TYR A 65 -13.958 4.433 5.614 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.895 3.555 5.367 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.038 4.491 4.726 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.914 2.735 4.233 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.057 3.672 3.591 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.995 2.794 3.344 1.00 0.00 C ATOM 953 OH TYR A 65 -14.013 1.995 2.239 1.00 0.00 O ATOM 0 H TYR A 65 -13.550 6.471 8.961 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.962 4.687 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.510 4.836 7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.440 6.256 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.061 3.511 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.857 5.168 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.095 2.057 4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.891 3.717 2.906 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.261 2.527 1.454 1.00 0.00 H new ATOM 963 N TYR A 66 -12.249 7.857 6.446 1.00 0.00 N ATOM 964 CA TYR A 66 -11.651 8.879 5.610 1.00 0.00 C ATOM 965 C TYR A 66 -10.343 9.351 6.228 1.00 0.00 C ATOM 966 O TYR A 66 -9.613 10.097 5.577 1.00 0.00 O ATOM 967 CB TYR A 66 -12.627 10.042 5.455 1.00 0.00 C ATOM 968 CG TYR A 66 -12.702 10.933 6.673 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.604 11.726 7.027 1.00 0.00 C ATOM 970 CD2 TYR A 66 -13.868 10.965 7.446 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.673 12.552 8.156 1.00 0.00 C ATOM 972 CE2 TYR A 66 -13.937 11.790 8.575 1.00 0.00 C ATOM 973 CZ TYR A 66 -12.839 12.583 8.930 1.00 0.00 C ATOM 974 OH TYR A 66 -12.907 13.387 10.030 1.00 0.00 O ATOM 0 H TYR A 66 -13.012 8.189 7.036 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.436 8.468 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -12.332 10.641 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.620 9.646 5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.704 11.701 6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -14.715 10.353 7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.827 13.165 8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -14.837 11.815 9.172 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.786 13.290 10.453 1.00 0.00 H new ATOM 984 N HIS A 67 -10.074 8.918 7.451 1.00 0.00 N ATOM 985 CA HIS A 67 -8.852 9.309 8.132 1.00 0.00 C ATOM 986 C HIS A 67 -7.738 8.314 7.799 1.00 0.00 C ATOM 987 O HIS A 67 -6.577 8.540 8.136 1.00 0.00 O ATOM 988 CB HIS A 67 -9.089 9.451 9.637 1.00 0.00 C ATOM 989 CG HIS A 67 -7.841 9.294 10.473 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.041 10.364 10.833 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.266 8.183 11.015 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.032 9.906 11.559 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.173 8.553 11.671 1.00 0.00 N ATOM 0 H HIS A 67 -10.682 8.300 7.988 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.534 10.290 7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.526 10.430 9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.820 8.706 9.951 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.201 11.340 10.582 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.637 7.173 10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.237 10.499 11.987 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.131 7.234 7.140 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.181 6.203 6.758 1.00 0.00 C ATOM 1003 C VAL A 68 -7.019 6.204 5.236 1.00 0.00 C ATOM 1004 O VAL A 68 -6.595 5.208 4.653 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.628 4.848 7.311 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.601 4.844 8.840 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.015 4.472 6.786 1.00 0.00 C ATOM 0 H VAL A 68 -9.095 7.050 6.861 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.201 6.407 7.190 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.922 4.094 6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.923 3.870 9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.587 5.045 9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.273 5.614 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.309 3.505 7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.737 5.229 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.989 4.414 5.698 1.00 0.00 H new ATOM 1017 N MET A 69 -7.365 7.334 4.637 1.00 0.00 N ATOM 1018 CA MET A 69 -7.264 7.478 3.195 1.00 0.00 C ATOM 1019 C MET A 69 -7.212 8.953 2.793 1.00 0.00 C ATOM 1020 O MET A 69 -7.631 9.324 1.699 1.00 0.00 O ATOM 1021 CB MET A 69 -8.469 6.809 2.529 1.00 0.00 C ATOM 1022 CG MET A 69 -9.583 6.550 3.545 1.00 0.00 C ATOM 1023 SD MET A 69 -10.840 5.510 2.821 1.00 0.00 S ATOM 1024 CE MET A 69 -10.309 3.917 3.426 1.00 0.00 C ATOM 0 H MET A 69 -7.716 8.159 5.124 1.00 0.00 H new ATOM 0 HA MET A 69 -6.342 6.999 2.865 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.844 7.444 1.726 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.161 5.868 2.074 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.172 6.072 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.021 7.495 3.865 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.713 3.132 2.787 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.220 3.869 3.416 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.669 3.776 4.445 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.690 9.769 3.710 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.557 11.207 3.507 1.00 0.00 C ATOM 1036 C HIS A 70 -5.308 11.724 4.243 1.00 0.00 C ATOM 1037 O HIS A 70 -4.297 12.023 3.610 1.00 0.00 O ATOM 1038 CB HIS A 70 -7.867 11.891 3.927 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.077 11.632 3.059 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -9.868 10.568 3.227 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.606 12.340 2.007 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.852 10.611 2.315 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.738 11.684 1.535 1.00 0.00 N ATOM 0 H HIS A 70 -6.348 9.448 4.615 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.401 11.449 2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.104 11.577 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.694 12.967 3.958 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.744 9.842 3.933 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.206 13.261 1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.634 9.872 2.226 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.422 11.811 5.560 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.318 12.283 6.378 1.00 0.00 C ATOM 1053 C ASP A 71 -3.073 11.445 6.079 1.00 0.00 C ATOM 1054 O ASP A 71 -3.179 10.325 5.580 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.636 12.143 7.868 1.00 0.00 C ATOM 1056 CG ASP A 71 -3.673 12.874 8.806 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -3.029 13.831 8.325 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -3.602 12.458 9.983 1.00 0.00 O ATOM 0 H ASP A 71 -6.263 11.562 6.081 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.150 13.334 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.645 12.515 8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.637 11.084 8.126 1.00 0.00 H new ATOM 1063 N LYS A 72 -1.922 12.019 6.397 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.659 11.338 6.169 1.00 0.00 C ATOM 1065 C LYS A 72 -0.013 11.006 7.516 1.00 0.00 C ATOM 1066 O LYS A 72 0.645 9.976 7.656 1.00 0.00 O ATOM 1067 CB LYS A 72 0.237 12.166 5.245 1.00 0.00 C ATOM 1068 CG LYS A 72 0.924 13.296 6.015 1.00 0.00 C ATOM 1069 CD LYS A 72 1.135 14.519 5.120 1.00 0.00 C ATOM 1070 CE LYS A 72 1.507 15.748 5.952 1.00 0.00 C ATOM 1071 NZ LYS A 72 0.291 16.394 6.495 1.00 0.00 N ATOM 0 H LYS A 72 -1.838 12.948 6.810 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.824 10.393 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.989 11.522 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.359 12.584 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.319 13.573 6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.885 12.950 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.923 14.313 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.226 14.721 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.166 15.455 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.059 16.458 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.562 17.226 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.324 16.691 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.220 15.719 7.099 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.223 11.898 8.473 1.00 0.00 N ATOM 1086 CA ASN A 73 0.330 11.713 9.803 1.00 0.00 C ATOM 1087 C ASN A 73 0.044 10.287 10.276 1.00 0.00 C ATOM 1088 O ASN A 73 0.777 9.743 11.101 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.306 12.680 10.804 1.00 0.00 C ATOM 1090 CG ASN A 73 0.704 13.731 11.269 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.793 13.862 10.735 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.283 14.470 12.292 1.00 0.00 N ATOM 0 H ASN A 73 -0.769 12.751 8.353 1.00 0.00 H new ATOM 0 HA ASN A 73 1.402 11.902 9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.163 13.172 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.680 12.125 11.664 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.884 15.199 12.676 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.641 14.308 12.692 1.00 0.00 H new ATOM 1099 N THR A 74 -1.025 9.721 9.734 1.00 0.00 N ATOM 1100 CA THR A 74 -1.417 8.368 10.090 1.00 0.00 C ATOM 1101 C THR A 74 -0.194 7.449 10.123 1.00 0.00 C ATOM 1102 O THR A 74 0.867 7.804 9.611 1.00 0.00 O ATOM 1103 CB THR A 74 -2.493 7.913 9.103 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.947 8.227 7.824 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.762 8.764 9.186 1.00 0.00 C ATOM 0 H THR A 74 -1.632 10.175 9.051 1.00 0.00 H new ATOM 0 HA THR A 74 -1.839 8.330 11.094 1.00 0.00 H new ATOM 0 HB THR A 74 -2.743 6.870 9.295 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.622 7.407 7.397 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.493 8.399 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.179 8.698 10.191 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.519 9.803 8.962 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.383 6.286 10.729 1.00 0.00 N ATOM 1114 CA LYS A 75 0.691 5.314 10.835 1.00 0.00 C ATOM 1115 C LYS A 75 1.110 4.868 9.432 1.00 0.00 C ATOM 1116 O LYS A 75 2.297 4.693 9.161 1.00 0.00 O ATOM 1117 CB LYS A 75 0.280 4.159 11.750 1.00 0.00 C ATOM 1118 CG LYS A 75 1.459 3.218 12.009 1.00 0.00 C ATOM 1119 CD LYS A 75 2.240 3.647 13.252 1.00 0.00 C ATOM 1120 CE LYS A 75 3.471 4.471 12.869 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.854 5.376 13.976 1.00 0.00 N ATOM 0 H LYS A 75 -1.265 5.995 11.152 1.00 0.00 H new ATOM 0 HA LYS A 75 1.567 5.764 11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.089 4.554 12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.540 3.604 11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.094 2.199 12.138 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.121 3.212 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.595 4.233 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.549 2.766 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.301 3.806 12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.262 5.053 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.691 5.928 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.066 6.022 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.074 4.814 14.823 1.00 0.00 H new ATOM 1135 N PHE A 76 0.112 4.699 8.578 1.00 0.00 N ATOM 1136 CA PHE A 76 0.362 4.277 7.210 1.00 0.00 C ATOM 1137 C PHE A 76 0.078 5.413 6.225 1.00 0.00 C ATOM 1138 O PHE A 76 -0.491 6.437 6.600 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.591 3.115 6.919 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.546 1.997 7.962 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.646 1.448 8.319 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.697 1.551 8.531 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.688 0.410 9.287 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.655 0.513 9.499 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.463 -0.035 9.856 1.00 0.00 C ATOM 0 H PHE A 76 -0.871 4.846 8.806 1.00 0.00 H new ATOM 0 HA PHE A 76 1.406 3.986 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.609 3.500 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.349 2.696 5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.561 1.802 7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.644 1.986 8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.635 -0.026 9.571 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.569 0.159 9.951 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.431 -0.824 10.592 1.00 0.00 H new ATOM 1155 N LYS A 77 0.487 5.194 4.984 1.00 0.00 N ATOM 1156 CA LYS A 77 0.284 6.186 3.943 1.00 0.00 C ATOM 1157 C LYS A 77 -1.202 6.245 3.583 1.00 0.00 C ATOM 1158 O LYS A 77 -1.943 5.294 3.831 1.00 0.00 O ATOM 1159 CB LYS A 77 1.195 5.903 2.747 1.00 0.00 C ATOM 1160 CG LYS A 77 2.596 5.497 3.210 1.00 0.00 C ATOM 1161 CD LYS A 77 3.668 6.340 2.516 1.00 0.00 C ATOM 1162 CE LYS A 77 4.833 6.635 3.463 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.700 7.991 4.041 1.00 0.00 N ATOM 0 H LYS A 77 0.958 4.343 4.676 1.00 0.00 H new ATOM 0 HA LYS A 77 0.566 7.176 4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.765 5.108 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.259 6.790 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.675 5.619 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.762 4.441 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.035 5.814 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.231 7.276 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.857 5.894 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.777 6.554 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.499 8.175 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.700 8.696 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.808 8.056 4.572 1.00 0.00 H new ATOM 1177 N SER A 78 -1.594 7.370 3.003 1.00 0.00 N ATOM 1178 CA SER A 78 -2.978 7.564 2.606 1.00 0.00 C ATOM 1179 C SER A 78 -3.064 7.774 1.093 1.00 0.00 C ATOM 1180 O SER A 78 -2.063 7.652 0.388 1.00 0.00 O ATOM 1181 CB SER A 78 -3.601 8.752 3.342 1.00 0.00 C ATOM 1182 OG SER A 78 -2.865 9.955 3.133 1.00 0.00 O ATOM 0 H SER A 78 -0.977 8.156 2.799 1.00 0.00 H new ATOM 0 HA SER A 78 -3.539 6.669 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.627 8.891 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.645 8.535 4.409 1.00 0.00 H new ATOM 0 HG SER A 78 -3.111 10.612 3.817 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.269 8.084 0.638 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.499 8.312 -0.779 1.00 0.00 C ATOM 1190 C CYS A 79 -4.024 9.725 -1.122 1.00 0.00 C ATOM 1191 O CYS A 79 -3.404 9.940 -2.162 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.966 8.095 -1.156 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.595 6.404 -0.853 1.00 0.00 S ATOM 0 H CYS A 79 -5.097 8.183 1.226 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.931 7.588 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.579 8.801 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.094 8.331 -2.212 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.332 10.652 -0.227 1.00 0.00 N ATOM 1199 CA VAL A 80 -3.945 12.039 -0.422 1.00 0.00 C ATOM 1200 C VAL A 80 -2.471 12.210 -0.046 1.00 0.00 C ATOM 1201 O VAL A 80 -1.752 12.983 -0.676 1.00 0.00 O ATOM 1202 CB VAL A 80 -4.875 12.959 0.372 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.364 14.401 0.356 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.308 12.879 -0.158 1.00 0.00 C ATOM 0 H VAL A 80 -4.845 10.470 0.635 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.049 12.321 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.881 12.617 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.043 15.034 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.370 14.440 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.314 14.758 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.949 13.542 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.326 13.183 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.672 11.855 -0.071 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.066 11.476 0.980 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.692 11.536 1.447 1.00 0.00 C ATOM 1216 C GLY A 81 0.289 11.351 0.288 1.00 0.00 C ATOM 1217 O GLY A 81 0.974 12.294 -0.107 1.00 0.00 O ATOM 0 H GLY A 81 -2.666 10.836 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.511 12.495 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.525 10.763 2.197 1.00 0.00 H new ATOM 1221 N CYS A 82 0.328 10.130 -0.224 1.00 0.00 N ATOM 1222 CA CYS A 82 1.214 9.810 -1.330 1.00 0.00 C ATOM 1223 C CYS A 82 1.112 10.930 -2.367 1.00 0.00 C ATOM 1224 O CYS A 82 2.123 11.460 -2.824 1.00 0.00 O ATOM 1225 CB CYS A 82 0.892 8.442 -1.935 1.00 0.00 C ATOM 1226 SG CYS A 82 2.395 7.724 -2.693 1.00 0.00 S ATOM 0 H CYS A 82 -0.240 9.350 0.107 1.00 0.00 H new ATOM 0 HA CYS A 82 2.240 9.743 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.510 7.774 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.108 8.543 -2.686 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.131 11.265 -2.715 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.426 12.311 -3.688 1.00 0.00 C ATOM 1233 C HIS A 83 0.200 13.641 -3.230 1.00 0.00 C ATOM 1234 O HIS A 83 0.631 14.439 -4.060 1.00 0.00 O ATOM 1235 CB HIS A 83 -1.945 12.370 -3.909 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.551 11.281 -4.763 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.617 11.486 -5.542 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.201 9.962 -4.934 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -3.920 10.341 -6.174 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.076 9.368 -5.835 1.00 0.00 N ATOM 0 H HIS A 83 -0.961 10.816 -2.328 1.00 0.00 H new ATOM 0 HA HIS A 83 0.023 12.092 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.431 12.348 -2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.185 13.331 -4.363 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.119 12.369 -5.640 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.376 9.466 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.741 10.224 -6.866 1.00 0.00 H new ATOM 1248 N VAL A 84 0.228 13.832 -1.920 1.00 0.00 N ATOM 1249 CA VAL A 84 0.793 15.045 -1.352 1.00 0.00 C ATOM 1250 C VAL A 84 2.313 15.026 -1.529 1.00 0.00 C ATOM 1251 O VAL A 84 2.932 16.072 -1.717 1.00 0.00 O ATOM 1252 CB VAL A 84 0.363 15.188 0.109 1.00 0.00 C ATOM 1253 CG1 VAL A 84 1.041 16.393 0.764 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.159 15.285 0.226 1.00 0.00 C ATOM 0 H VAL A 84 -0.131 13.167 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 84 0.416 15.924 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 84 0.683 14.292 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.718 16.472 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.123 16.265 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.765 17.301 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.438 15.386 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.512 16.155 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.614 14.384 -0.185 1.00 0.00 H new ATOM 1264 N GLU A 85 2.869 13.825 -1.463 1.00 0.00 N ATOM 1265 CA GLU A 85 4.305 13.656 -1.614 1.00 0.00 C ATOM 1266 C GLU A 85 4.676 13.566 -3.096 1.00 0.00 C ATOM 1267 O GLU A 85 5.854 13.490 -3.440 1.00 0.00 O ATOM 1268 CB GLU A 85 4.795 12.425 -0.850 1.00 0.00 C ATOM 1269 CG GLU A 85 5.561 12.831 0.411 1.00 0.00 C ATOM 1270 CD GLU A 85 6.736 13.748 0.067 1.00 0.00 C ATOM 1271 OE1 GLU A 85 7.612 13.286 -0.696 1.00 0.00 O ATOM 1272 OE2 GLU A 85 6.732 14.890 0.574 1.00 0.00 O ATOM 0 H GLU A 85 2.352 12.960 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 85 4.801 14.528 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.945 11.799 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.439 11.826 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.888 13.340 1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.927 11.940 0.921 1.00 0.00 H new ATOM 1279 N VAL A 86 3.648 13.578 -3.932 1.00 0.00 N ATOM 1280 CA VAL A 86 3.852 13.498 -5.369 1.00 0.00 C ATOM 1281 C VAL A 86 3.424 14.818 -6.014 1.00 0.00 C ATOM 1282 O VAL A 86 4.226 15.481 -6.669 1.00 0.00 O ATOM 1283 CB VAL A 86 3.109 12.287 -5.936 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.227 12.236 -7.461 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.614 10.988 -5.303 1.00 0.00 C ATOM 0 H VAL A 86 2.672 13.642 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 86 4.908 13.351 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 86 2.054 12.394 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.690 11.366 -7.839 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.797 13.141 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.278 12.164 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.069 10.143 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.678 10.873 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.455 11.022 -4.225 1.00 0.00 H new ATOM 1295 N ALA A 87 2.161 15.159 -5.805 1.00 0.00 N ATOM 1296 CA ALA A 87 1.617 16.388 -6.358 1.00 0.00 C ATOM 1297 C ALA A 87 2.229 17.586 -5.629 1.00 0.00 C ATOM 1298 O ALA A 87 1.515 18.367 -5.003 1.00 0.00 O ATOM 1299 CB ALA A 87 0.090 16.362 -6.257 1.00 0.00 C ATOM 0 H ALA A 87 1.499 14.606 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 87 1.873 16.479 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.318 17.284 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.297 15.510 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.204 16.274 -5.211 1.00 0.00 H new ATOM 1305 N GLY A 88 3.546 17.692 -5.735 1.00 0.00 N ATOM 1306 CA GLY A 88 4.262 18.781 -5.093 1.00 0.00 C ATOM 1307 C GLY A 88 5.236 19.446 -6.068 1.00 0.00 C ATOM 1308 O GLY A 88 6.188 20.103 -5.648 1.00 0.00 O ATOM 0 H GLY A 88 4.135 17.042 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.551 19.520 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.808 18.403 -4.229 1.00 0.00 H new ATOM 1312 N ALA A 89 4.965 19.252 -7.350 1.00 0.00 N ATOM 1313 CA ALA A 89 5.806 19.825 -8.388 1.00 0.00 C ATOM 1314 C ALA A 89 5.001 20.861 -9.175 1.00 0.00 C ATOM 1315 O ALA A 89 5.567 21.806 -9.722 1.00 0.00 O ATOM 1316 CB ALA A 89 6.348 18.707 -9.280 1.00 0.00 C ATOM 0 H ALA A 89 4.175 18.706 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 89 6.663 20.337 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.979 19.136 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.936 18.014 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.516 18.173 -9.740 1.00 0.00 H new ATOM 1322 N ASP A 90 3.694 20.649 -9.208 1.00 0.00 N ATOM 1323 CA ASP A 90 2.806 21.553 -9.919 1.00 0.00 C ATOM 1324 C ASP A 90 1.735 22.070 -8.957 1.00 0.00 C ATOM 1325 O ASP A 90 1.511 21.485 -7.899 1.00 0.00 O ATOM 1326 CB ASP A 90 2.101 20.837 -11.073 1.00 0.00 C ATOM 1327 CG ASP A 90 1.469 21.761 -12.116 1.00 0.00 C ATOM 1328 OD1 ASP A 90 2.230 22.244 -12.982 1.00 0.00 O ATOM 1329 OD2 ASP A 90 0.238 21.963 -12.024 1.00 0.00 O ATOM 0 H ASP A 90 3.228 19.864 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 90 3.405 22.373 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.821 20.188 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.324 20.193 -10.661 1.00 0.00 H new ATOM 1334 N ALA A 91 1.101 23.161 -9.360 1.00 0.00 N ATOM 1335 CA ALA A 91 0.058 23.764 -8.547 1.00 0.00 C ATOM 1336 C ALA A 91 -1.281 23.093 -8.863 1.00 0.00 C ATOM 1337 O ALA A 91 -1.831 22.375 -8.030 1.00 0.00 O ATOM 1338 CB ALA A 91 0.026 25.274 -8.794 1.00 0.00 C ATOM 0 H ALA A 91 1.289 23.643 -10.239 1.00 0.00 H new ATOM 0 HA ALA A 91 0.262 23.611 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.756 25.726 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.990 25.707 -8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.179 25.466 -9.847 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.765 23.351 -10.069 1.00 0.00 N ATOM 1345 CA ALA A 92 -3.029 22.781 -10.505 1.00 0.00 C ATOM 1346 C ALA A 92 -3.079 21.303 -10.113 1.00 0.00 C ATOM 1347 O ALA A 92 -4.076 20.836 -9.565 1.00 0.00 O ATOM 1348 CB ALA A 92 -3.191 22.991 -12.012 1.00 0.00 C ATOM 0 H ALA A 92 -1.305 23.947 -10.758 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.865 23.280 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.139 22.564 -12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.178 24.058 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.371 22.501 -12.538 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.991 20.608 -10.410 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.898 19.193 -10.095 1.00 0.00 C ATOM 1356 C LYS A 93 -2.204 18.983 -8.611 1.00 0.00 C ATOM 1357 O LYS A 93 -2.799 17.976 -8.232 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.541 18.635 -10.528 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.629 17.134 -10.811 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.224 16.871 -12.196 1.00 0.00 C ATOM 1361 CE LYS A 93 -0.230 17.242 -13.299 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.144 16.856 -12.909 1.00 0.00 N ATOM 0 H LYS A 93 -1.166 20.999 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.642 18.629 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.197 19.157 -11.421 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.197 18.819 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.364 16.690 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.243 16.652 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.496 15.819 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.140 17.449 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.505 16.742 -14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.273 18.314 -13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.749 16.826 -13.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.523 17.553 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.127 15.917 -12.462 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.782 19.952 -7.811 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.003 19.886 -6.376 1.00 0.00 C ATOM 1378 C LYS A 94 -3.479 20.158 -6.079 1.00 0.00 C ATOM 1379 O LYS A 94 -3.899 20.126 -4.923 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.044 20.827 -5.643 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.717 22.167 -5.338 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.165 22.236 -3.877 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.083 23.668 -3.345 1.00 0.00 C ATOM 1384 NZ LYS A 94 -3.419 24.139 -2.916 1.00 0.00 N ATOM 0 H LYS A 94 -1.289 20.786 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.781 18.887 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.712 20.363 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.155 20.993 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.024 22.982 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.578 22.303 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.188 21.870 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.539 21.582 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.389 23.711 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.689 24.328 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.345 25.113 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.071 24.116 -3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.780 23.519 -2.163 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.225 20.420 -7.142 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.645 20.698 -7.009 1.00 0.00 C ATOM 1400 C LYS A 95 -6.442 19.624 -7.753 1.00 0.00 C ATOM 1401 O LYS A 95 -7.667 19.698 -7.830 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.957 22.124 -7.468 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.094 22.730 -6.642 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.545 23.605 -5.514 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.509 24.748 -5.188 1.00 0.00 C ATOM 1406 NZ LYS A 95 -8.524 24.306 -4.206 1.00 0.00 N ATOM 0 H LYS A 95 -3.873 20.446 -8.099 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.946 20.652 -5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.065 22.743 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.232 22.118 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.740 23.325 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.709 21.933 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.382 22.997 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.577 24.013 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.954 25.597 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.000 25.088 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.170 25.094 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.065 23.510 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.051 24.003 -3.331 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.714 18.652 -8.281 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.338 17.564 -9.015 1.00 0.00 C ATOM 1422 C ASP A 96 -6.059 16.243 -8.296 1.00 0.00 C ATOM 1423 O ASP A 96 -6.847 15.303 -8.389 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.770 17.460 -10.432 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.613 18.793 -11.165 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.081 19.808 -10.605 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.029 18.768 -12.270 1.00 0.00 O ATOM 0 H ASP A 96 -4.698 18.595 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.408 17.763 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.796 16.973 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.420 16.813 -11.021 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.936 16.213 -7.594 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.543 15.023 -6.859 1.00 0.00 C ATOM 1434 C LEU A 97 -4.976 15.165 -5.398 1.00 0.00 C ATOM 1435 O LEU A 97 -5.511 14.225 -4.812 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.047 14.754 -7.034 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.526 14.772 -8.472 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.060 14.337 -8.530 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.412 13.925 -9.387 1.00 0.00 C ATOM 0 H LEU A 97 -4.285 16.995 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.050 14.144 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.495 15.497 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.820 13.781 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.572 15.797 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.715 14.359 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.455 15.017 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.965 13.325 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.019 13.955 -10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.422 12.894 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.427 14.321 -9.379 1.00 0.00 H new ATOM 1451 N THR A 98 -4.728 16.347 -4.853 1.00 0.00 N ATOM 1452 CA THR A 98 -5.085 16.623 -3.472 1.00 0.00 C ATOM 1453 C THR A 98 -6.288 17.567 -3.411 1.00 0.00 C ATOM 1454 O THR A 98 -6.715 17.964 -2.329 1.00 0.00 O ATOM 1455 CB THR A 98 -3.845 17.173 -2.764 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.584 18.406 -3.430 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.596 16.332 -3.034 1.00 0.00 C ATOM 0 H THR A 98 -4.284 17.124 -5.343 1.00 0.00 H new ATOM 0 HA THR A 98 -5.397 15.715 -2.955 1.00 0.00 H new ATOM 0 HB THR A 98 -4.029 17.216 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.222 18.522 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.745 16.765 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.760 15.314 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.392 16.317 -4.105 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.800 17.897 -4.588 1.00 0.00 N ATOM 1466 CA GLY A 99 -7.946 18.786 -4.682 1.00 0.00 C ATOM 1467 C GLY A 99 -9.210 18.110 -4.150 1.00 0.00 C ATOM 1468 O GLY A 99 -9.316 16.884 -4.164 1.00 0.00 O ATOM 0 H GLY A 99 -6.443 17.565 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.751 19.697 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.097 19.082 -5.720 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.139 18.937 -3.693 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.392 18.434 -3.158 1.00 0.00 C ATOM 1474 C CYS A 100 -12.410 18.369 -4.298 1.00 0.00 C ATOM 1475 O CYS A 100 -13.092 17.359 -4.469 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.894 19.290 -1.993 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.864 19.211 -0.482 1.00 0.00 S ATOM 0 H CYS A 100 -10.048 19.953 -3.682 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.241 17.435 -2.750 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.953 20.328 -2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.908 18.978 -1.741 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.481 19.458 -5.048 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.404 19.537 -6.168 1.00 0.00 C ATOM 1484 C LYS A 101 -12.617 19.473 -7.478 1.00 0.00 C ATOM 1485 O LYS A 101 -11.507 19.995 -7.566 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.291 20.778 -6.044 1.00 0.00 C ATOM 1487 CG LYS A 101 -13.569 22.022 -6.564 1.00 0.00 C ATOM 1488 CD LYS A 101 -12.833 22.743 -5.433 1.00 0.00 C ATOM 1489 CE LYS A 101 -13.651 23.925 -4.911 1.00 0.00 C ATOM 1490 NZ LYS A 101 -13.059 24.455 -3.663 1.00 0.00 N ATOM 0 H LYS A 101 -11.914 20.294 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.084 18.685 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.213 20.628 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.572 20.926 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.859 21.737 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.289 22.699 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.637 22.045 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.866 23.096 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.687 24.711 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.679 23.611 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.627 25.257 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.047 23.708 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.086 24.773 -3.848 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.223 18.827 -8.464 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.593 18.687 -9.765 1.00 0.00 C ATOM 1506 C LYS A 102 -11.408 17.725 -9.653 1.00 0.00 C ATOM 1507 O LYS A 102 -10.644 17.562 -10.602 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.219 20.059 -10.330 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.976 20.342 -11.628 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.314 21.829 -11.753 1.00 0.00 C ATOM 1511 CE LYS A 102 -13.801 22.165 -13.164 1.00 0.00 C ATOM 1512 NZ LYS A 102 -15.026 22.993 -13.106 1.00 0.00 N ATOM 0 H LYS A 102 -14.144 18.395 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.291 18.252 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.446 20.833 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.146 20.100 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.373 20.030 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.893 19.754 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.083 22.093 -11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.434 22.427 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.020 22.698 -13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.002 21.246 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.343 23.212 -14.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.774 22.472 -12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.823 23.878 -12.599 1.00 0.00 H new ATOM 1526 N SER A 103 -11.294 17.111 -8.484 1.00 0.00 N ATOM 1527 CA SER A 103 -10.216 16.169 -8.235 1.00 0.00 C ATOM 1528 C SER A 103 -10.556 14.811 -8.851 1.00 0.00 C ATOM 1529 O SER A 103 -11.727 14.452 -8.965 1.00 0.00 O ATOM 1530 CB SER A 103 -9.949 16.021 -6.736 1.00 0.00 C ATOM 1531 OG SER A 103 -9.084 14.925 -6.454 1.00 0.00 O ATOM 0 H SER A 103 -11.931 17.248 -7.699 1.00 0.00 H new ATOM 0 HA SER A 103 -9.309 16.555 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.505 16.941 -6.354 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.894 15.881 -6.211 1.00 0.00 H new ATOM 0 HG SER A 103 -8.299 14.969 -7.039 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.510 14.092 -9.233 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.683 12.780 -9.834 1.00 0.00 C ATOM 1539 C LYS A 104 -10.520 11.903 -8.902 1.00 0.00 C ATOM 1540 O LYS A 104 -11.425 11.201 -9.351 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.326 12.174 -10.196 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.061 12.278 -11.699 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.505 13.656 -12.064 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.138 13.533 -12.740 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.297 13.201 -14.174 1.00 0.00 N ATOM 0 H LYS A 104 -8.540 14.393 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.231 12.860 -10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.537 12.688 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.298 11.128 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.354 11.505 -12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.985 12.098 -12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.200 14.168 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.417 14.266 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.589 14.469 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.549 12.761 -12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.360 13.121 -14.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.802 12.297 -14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.841 13.952 -14.646 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.189 11.971 -7.621 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.899 11.191 -6.622 1.00 0.00 C ATOM 1561 C CYS A 105 -12.329 11.725 -6.523 1.00 0.00 C ATOM 1562 O CYS A 105 -13.291 10.995 -6.755 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.184 11.221 -5.269 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.402 10.872 -5.494 1.00 0.00 S ATOM 0 H CYS A 105 -9.438 12.555 -7.252 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.923 10.144 -6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.315 12.196 -4.801 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.626 10.483 -4.599 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.430 13.008 -6.176 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.710 13.691 -6.032 1.00 0.00 C ATOM 1571 C HIS A 106 -13.984 14.553 -7.279 1.00 0.00 C ATOM 1572 O HIS A 106 -14.094 15.773 -7.175 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.710 14.475 -4.711 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.572 13.666 -3.441 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.515 12.816 -3.023 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.564 13.607 -2.509 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.111 12.250 -1.876 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.912 12.703 -1.513 1.00 0.00 N ATOM 0 H HIS A 106 -11.623 13.602 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.536 12.982 -5.975 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.895 15.198 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.638 15.044 -4.653 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.398 12.628 -3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.646 14.174 -2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.683 11.522 -1.320 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.085 13.884 -8.418 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.343 14.575 -9.670 1.00 0.00 C ATOM 1588 C GLU A 107 -15.847 14.626 -9.948 1.00 0.00 C ATOM 1589 O GLU A 107 -16.652 14.248 -9.098 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.594 13.910 -10.827 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.881 14.953 -11.690 1.00 0.00 C ATOM 1592 CD GLU A 107 -12.783 14.488 -13.144 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -13.711 13.768 -13.573 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -11.783 14.862 -13.794 1.00 0.00 O ATOM 0 H GLU A 107 -13.993 12.871 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 107 -13.975 15.597 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.867 13.200 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.294 13.343 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.420 15.899 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.882 15.135 -11.295 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.243 -4.145 -3.874 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.701 -4.535 -3.573 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.918 -7.492 -4.387 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.911 -3.661 -4.333 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.681 -0.731 -3.208 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.553 -5.674 -3.989 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.922 -5.667 -3.785 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.441 -7.014 -3.824 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.395 -7.836 -4.049 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.218 -7.007 -4.153 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.406 -9.332 -4.176 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.885 -7.384 -3.641 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.164 -8.186 -2.374 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.172 -9.681 -2.662 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.420 -10.397 -1.966 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.929 -10.080 -3.573 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.746 -5.324 -4.276 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.779 -6.696 -4.454 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.453 -7.199 -4.723 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.617 -6.139 -4.709 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.417 -4.970 -4.431 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.114 -8.640 -4.968 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.132 -6.130 -4.933 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.319 -6.955 -6.136 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.067 -2.494 -3.859 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.697 -2.491 -4.051 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.160 -1.172 -3.809 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.197 -0.377 -3.472 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.386 -1.195 -3.502 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.710 -0.801 -3.923 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.168 1.083 -3.124 1.00 0.00 C HETATM 1633 CBC HEC A 108 -1.921 1.813 -3.615 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.863 -2.876 -3.508 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.821 -1.529 -3.193 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.139 -1.055 -2.842 1.00 0.00 C HETATM 1637 C3D HEC A 108 -8.978 -2.107 -2.942 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.189 -3.243 -3.356 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.467 0.355 -2.445 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.457 -2.138 -2.682 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.829 -2.059 -1.204 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.339 -2.005 -1.022 1.00 0.00 C HETATM 1643 O1D HEC A 108 -12.767 -1.445 0.010 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.038 -2.526 -1.918 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -7.900 0.623 -1.554 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.207 1.032 -3.259 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.533 0.435 -2.234 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.125 -1.401 -3.226 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.365 -0.988 -4.940 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.585 0.256 -3.686 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.394 -9.233 -4.097 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.659 -8.999 -5.841 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.043 -8.737 -5.144 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.788 -9.773 -3.255 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.046 -9.622 -5.009 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.392 -9.689 -4.356 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.427 -2.925 -0.678 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.374 -1.175 -0.758 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.035 1.359 -3.171 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -1.861 1.740 -4.701 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -1.975 2.862 -3.324 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.021 -7.994 -5.997 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.145 -6.563 -7.041 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.403 -6.898 -6.230 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.406 -7.961 -1.623 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -11.125 -7.888 -1.956 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -10.926 -1.307 -3.209 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.870 -3.055 -3.102 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.483 -6.473 -3.621 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.214 -7.962 -4.505 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.800 0.327 -2.976 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.840 -3.523 -4.482 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.795 -8.566 -4.525 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.784 -4.657 -3.575 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.986 -2.431 -1.690 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.845 -11.052 -3.666 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.342 0.085 8.231 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.618 1.712 10.802 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.486 2.497 6.075 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.807 -1.774 5.776 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.247 -2.384 10.613 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.247 1.727 8.417 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.665 2.292 9.539 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.104 3.583 9.217 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.343 3.803 7.906 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.054 2.651 7.405 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.962 5.001 7.087 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.395 4.479 10.190 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.267 5.598 10.751 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.543 6.357 11.854 1.00 0.00 C HETATM 1691 O1A HEC A 109 -2.599 5.766 12.423 1.00 0.00 O HETATM 1692 O2A HEC A 109 -3.947 7.512 12.108 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.620 0.323 6.348 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.142 1.373 5.583 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.422 1.143 4.186 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.065 -0.041 4.100 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.191 -0.554 5.443 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.047 2.074 3.070 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.571 -0.730 2.866 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.509 -0.937 1.791 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.366 -1.702 8.234 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.076 -2.188 7.150 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.890 -3.313 7.548 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.676 -3.511 8.866 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.728 -2.511 9.298 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.790 -4.088 6.631 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.285 -4.557 9.754 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.027 -5.989 9.292 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.009 -0.273 10.294 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.458 -1.331 11.066 1.00 0.00 C HETATM 1711 C2D HEC A 109 -5.990 -1.193 12.425 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.261 -0.059 12.481 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.270 0.517 11.157 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.286 -2.158 13.537 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.558 0.530 13.669 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.190 -0.085 13.948 1.00 0.00 C HETATM 1717 CGD HEC A 109 -3.008 -0.368 15.433 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.439 -1.437 15.741 1.00 0.00 O HETATM 1719 O2D HEC A 109 -3.443 0.490 16.231 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.364 -2.220 13.688 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -5.899 -3.143 13.277 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.811 -1.812 14.455 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.541 -3.420 6.208 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.200 -4.526 5.826 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.284 -4.881 7.191 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.525 3.041 3.227 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -4.965 2.203 3.052 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.378 1.655 2.120 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.427 5.892 7.508 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.878 5.118 7.096 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.304 4.864 6.061 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.082 -1.011 13.382 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.407 0.591 13.605 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.444 -6.130 8.295 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.953 -6.175 9.265 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.499 -6.686 9.985 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.113 0.030 1.480 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.700 -1.548 2.191 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -6.954 -1.441 0.933 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.540 6.286 9.951 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.194 5.179 11.142 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.438 1.602 13.513 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.188 0.405 14.550 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.019 3.876 11.017 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.528 4.920 9.697 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.510 -3.164 11.327 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.098 -2.444 4.967 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.293 3.316 5.381 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.035 2.219 11.571 1.00 0.00 H new HETATM 0 H2D HEC A 109 -3.272 0.198 17.151 1.00 0.00 H new HETATM 0 H2A HEC A 109 -4.905 7.574 11.911 1.00 0.00 H new HETATM 1752 FE HEC A 110 -2.975 7.492 -6.358 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.741 8.621 -9.714 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.487 7.745 -6.728 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.422 6.116 -3.311 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.376 7.438 -6.163 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.340 8.043 -7.927 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.024 8.518 -9.188 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.224 8.898 -9.895 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.265 8.656 -9.070 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.719 8.124 -7.844 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.725 8.882 -9.334 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.260 9.454 -11.289 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.535 8.410 -12.367 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.852 8.781 -13.676 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.837 9.992 -13.984 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.358 7.847 -14.343 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.629 7.080 -5.247 1.00 0.00 N HETATM 1769 C1B HEC A 110 -5.971 7.156 -5.578 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.775 6.534 -4.553 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.929 6.081 -3.604 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.591 6.419 -4.032 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.273 6.432 -4.580 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.266 5.360 -2.332 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.237 4.197 -2.517 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.769 7.022 -4.996 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.078 6.516 -3.745 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.870 6.184 -3.027 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.168 6.486 -3.835 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.387 7.008 -5.062 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.825 5.611 -1.640 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.634 6.326 -3.555 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.972 5.120 -2.684 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.506 7.947 -7.675 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.157 7.840 -7.383 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.635 8.206 -8.534 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.226 8.535 -9.520 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.560 8.375 -8.990 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.135 8.207 -8.579 1.00 0.00 C HETATM 1790 CAD HEC A 110 0.095 8.985 -10.915 1.00 0.00 C HETATM 1791 CBD HEC A 110 0.279 10.493 -11.054 1.00 0.00 C HETATM 1792 CGD HEC A 110 1.434 10.986 -10.194 1.00 0.00 C HETATM 1793 O1D HEC A 110 1.153 11.766 -9.259 1.00 0.00 O HETATM 1794 O2D HEC A 110 2.577 10.574 -10.490 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.521 8.895 -7.827 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.506 7.202 -8.376 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.469 8.524 -9.567 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.303 6.302 -0.945 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.352 4.657 -1.623 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.213 5.458 -1.343 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.705 7.432 -4.613 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.584 5.874 -5.463 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.619 5.916 -3.684 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -7.898 9.938 -9.539 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.035 8.290 -10.195 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.303 8.582 -8.460 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.466 10.745 -12.098 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.639 11.003 -10.762 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.470 5.214 -1.721 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.638 4.208 -3.180 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.050 5.075 -2.528 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.173 4.568 -2.934 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.802 3.464 -3.196 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.430 3.728 -1.552 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.181 7.435 -12.032 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.610 8.322 -12.526 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 1.006 8.486 -11.246 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.705 8.664 -11.582 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.028 10.226 -11.341 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.306 9.938 -11.501 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.460 7.457 -6.052 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.519 5.555 -2.382 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.561 7.925 -6.767 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.643 8.913 -10.760 1.00 0.00 H new HETATM 0 H2D HEC A 110 3.250 11.128 -10.043 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.168 8.159 -15.252 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.910 12.259 0.018 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.038 9.820 1.220 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.519 14.626 1.819 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.506 14.557 -0.940 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.354 9.804 -1.965 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.471 12.221 1.226 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.196 11.128 1.668 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.152 11.533 2.671 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.011 12.865 2.839 1.00 0.00 C HETATM 1836 C4A HEC A 111 -13.965 13.297 1.942 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.772 13.765 3.768 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.107 10.610 3.370 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.123 10.766 4.887 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.448 11.342 5.365 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.411 12.457 5.931 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.473 10.659 5.156 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.538 14.167 0.422 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.404 15.019 1.086 1.00 0.00 C HETATM 1845 C2B HEC A 111 -11.987 16.391 0.914 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.875 16.375 0.150 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.592 14.993 -0.159 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.692 17.581 1.496 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.057 17.544 -0.315 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.771 17.756 0.478 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.175 12.139 -1.159 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.325 13.184 -1.479 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.379 12.768 -2.487 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.651 11.478 -2.779 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.768 11.083 -1.955 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.308 13.642 -3.072 1.00 0.00 C HETATM 1857 CAC HEC A 111 -7.952 10.587 -3.764 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.431 10.715 -3.747 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.177 10.237 -0.360 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.374 9.396 -1.112 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.743 8.018 -0.888 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.764 8.020 -0.005 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.038 9.398 0.326 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.085 6.837 -1.538 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.505 6.839 0.553 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.438 6.162 -0.447 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.228 5.042 0.214 1.00 0.00 C HETATM 1868 O1D HEC A 111 -14.723 4.511 1.227 1.00 0.00 O HETATM 1869 O2D HEC A 111 -16.323 4.737 -0.306 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.189 6.913 -2.620 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.027 6.820 -1.276 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.560 5.919 -1.191 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.766 14.506 -3.553 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.640 13.979 -2.279 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.739 13.076 -3.809 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.714 17.619 1.118 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.710 17.498 2.583 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.165 18.492 1.210 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -16.834 13.725 3.525 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.623 13.436 4.796 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.413 14.788 3.658 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.125 6.898 -0.865 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -13.857 5.761 -1.277 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.149 11.741 -3.986 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.055 10.457 -2.757 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.001 10.039 -4.486 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.014 17.931 1.526 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.142 16.870 0.394 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.237 18.619 0.081 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.953 9.797 5.357 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.306 11.418 5.197 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.782 6.107 0.913 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.087 7.163 1.416 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.112 10.785 2.986 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -15.847 9.580 3.124 1.00 0.00 H new HETATM 0 HHD HEC A 111 -9.983 9.082 -2.692 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.731 15.289 -1.169 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.087 15.401 2.334 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.738 9.070 1.588 1.00 0.00 H new HETATM 0 H2D HEC A 111 -16.319 4.995 -1.251 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.211 11.000 5.704 1.00 0.00 H new