USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 908 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 202 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 203 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 204 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD NoAdj-H: A 202 HEC HAC : A 202 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC HAB : A 202 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 202 HEC H2D : A 202 HEC O2D : A 202 HEC CGD :(short bond) USER MOD NoAdj-H: A 202 HEC H2A : A 202 HEC O2A : A 202 HEC CGA :(short bond) USER MOD NoAdj-H: A 203 HEC HAC : A 203 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC HAB : A 203 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 203 HEC H2D : A 203 HEC O2D : A 203 HEC CGD :(short bond) USER MOD NoAdj-H: A 203 HEC H2A : A 203 HEC O2A : A 203 HEC CGA :(short bond) USER MOD NoAdj-H: A 204 HEC HAC : A 204 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC HAB : A 204 HEC CAB : A 100 CYS SG :(H bumps) USER MOD NoAdj-H: A 204 HEC H2D : A 204 HEC O2D : A 204 HEC CGD :(short bond) USER MOD NoAdj-H: A 204 HEC H2A : A 204 HEC O2A : A 204 HEC CGA :(short bond) USER MOD Set 1.1: A 44 GLN : amide:sc= -3.39! C(o=-3.1!,f=-9.4!) USER MOD Set 1.2: A 48 THR OG1 : rot 161:sc= 0.277 USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -8.74! C(o=-15!,f=-13!) USER MOD Set 2.2: A 23 SER OG : rot -39:sc= -2.67! USER MOD Set 2.3: A 24 THR OG1 : rot 91:sc= -1.76! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -179:sc= -12! (180deg=-12.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 45:sc= -4.4! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0.00345! F(o=-1.5,f=0.0035!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 152:sc= -1.73! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.55! C(o=-2.9!,f=-1.6!) USER MOD Single : A 55 MET CE :methyl 162:sc= -2.63! (180deg=-3.48!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0.379 (180deg=0.365) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 90:sc= -2.19! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -17.3! C(o=-17!,f=-28!) USER MOD Single : A 69 MET CE :methyl -176:sc= -2.47 (180deg=-2.69) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 55:sc= 0.562 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 -111:sc= -5.59! USER MOD Single : A 86 THR OG1 : rot 93:sc= 0.202 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 19:sc= 0.565 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -144:sc= 0.727 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 101:sc= 0.0741 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.289 14.965 1.669 1.00 0.00 N ATOM 2 CA ALA A 1 19.483 13.725 2.475 1.00 0.00 C ATOM 3 C ALA A 1 18.300 13.521 3.425 1.00 0.00 C ATOM 4 O ALA A 1 18.299 14.020 4.532 1.00 0.00 O ATOM 5 CB ALA A 1 20.770 13.963 3.264 1.00 0.00 C ATOM 0 H1 ALA A 1 20.098 15.093 1.028 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.415 14.883 1.111 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.218 15.785 2.305 1.00 0.00 H new ATOM 0 HA ALA A 1 19.546 12.833 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.983 13.092 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.596 14.126 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.650 14.841 3.899 1.00 0.00 H new ATOM 13 N PRO A 2 17.328 12.788 2.955 1.00 0.00 N ATOM 14 CA PRO A 2 16.120 12.508 3.768 1.00 0.00 C ATOM 15 C PRO A 2 16.438 11.508 4.879 1.00 0.00 C ATOM 16 O PRO A 2 17.034 10.476 4.646 1.00 0.00 O ATOM 17 CB PRO A 2 15.145 11.897 2.768 1.00 0.00 C ATOM 18 CG PRO A 2 16.006 11.324 1.688 1.00 0.00 C ATOM 19 CD PRO A 2 17.263 12.154 1.633 1.00 0.00 C ATOM 0 HA PRO A 2 15.726 13.398 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.532 11.126 3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.463 12.649 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.243 10.281 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.487 11.347 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.141 11.537 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.217 12.896 0.836 1.00 0.00 H new ATOM 27 N LYS A 3 16.033 11.798 6.084 1.00 0.00 N ATOM 28 CA LYS A 3 16.303 10.850 7.198 1.00 0.00 C ATOM 29 C LYS A 3 15.098 9.942 7.408 1.00 0.00 C ATOM 30 O LYS A 3 14.229 10.213 8.213 1.00 0.00 O ATOM 31 CB LYS A 3 16.520 11.708 8.428 1.00 0.00 C ATOM 32 CG LYS A 3 17.917 12.329 8.390 1.00 0.00 C ATOM 33 CD LYS A 3 18.701 11.896 9.629 1.00 0.00 C ATOM 34 CE LYS A 3 19.871 12.856 9.857 1.00 0.00 C ATOM 35 NZ LYS A 3 19.889 13.097 11.327 1.00 0.00 N ATOM 0 H LYS A 3 15.529 12.646 6.344 1.00 0.00 H new ATOM 0 HA LYS A 3 17.166 10.218 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.765 12.493 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.405 11.104 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.441 12.016 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.843 13.416 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 3 18.048 11.889 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.072 10.879 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.811 12.421 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.732 13.786 9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.666 13.747 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.984 13.517 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.030 12.195 11.825 1.00 0.00 H new ATOM 49 N ALA A 4 15.046 8.871 6.686 1.00 0.00 N ATOM 50 CA ALA A 4 13.902 7.925 6.826 1.00 0.00 C ATOM 51 C ALA A 4 13.530 7.772 8.302 1.00 0.00 C ATOM 52 O ALA A 4 14.391 7.666 9.152 1.00 0.00 O ATOM 53 CB ALA A 4 14.407 6.599 6.258 1.00 0.00 C ATOM 0 H ALA A 4 15.748 8.601 5.997 1.00 0.00 H new ATOM 0 HA ALA A 4 13.010 8.273 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.618 5.850 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.689 6.734 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.274 6.266 6.828 1.00 0.00 H new ATOM 59 N PRO A 5 12.251 7.768 8.554 1.00 0.00 N ATOM 60 CA PRO A 5 11.755 7.629 9.937 1.00 0.00 C ATOM 61 C PRO A 5 11.869 6.183 10.410 1.00 0.00 C ATOM 62 O PRO A 5 11.966 5.263 9.623 1.00 0.00 O ATOM 63 CB PRO A 5 10.303 8.087 9.851 1.00 0.00 C ATOM 64 CG PRO A 5 9.901 7.903 8.418 1.00 0.00 C ATOM 65 CD PRO A 5 11.162 7.887 7.583 1.00 0.00 C ATOM 0 HA PRO A 5 12.326 8.213 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.668 7.500 10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.203 9.129 10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.348 6.972 8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.242 8.711 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.163 7.051 6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.257 8.798 6.992 1.00 0.00 H new ATOM 73 N ALA A 6 11.873 5.985 11.695 1.00 0.00 N ATOM 74 CA ALA A 6 11.997 4.608 12.237 1.00 0.00 C ATOM 75 C ALA A 6 10.786 3.769 11.843 1.00 0.00 C ATOM 76 O ALA A 6 9.883 4.229 11.172 1.00 0.00 O ATOM 77 CB ALA A 6 12.057 4.784 13.754 1.00 0.00 C ATOM 0 H ALA A 6 11.795 6.721 12.397 1.00 0.00 H new ATOM 0 HA ALA A 6 12.876 4.092 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.149 3.808 14.230 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.919 5.398 14.015 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.146 5.272 14.100 1.00 0.00 H new ATOM 83 N ASP A 7 10.762 2.541 12.264 1.00 0.00 N ATOM 84 CA ASP A 7 9.618 1.655 11.931 1.00 0.00 C ATOM 85 C ASP A 7 8.411 2.023 12.792 1.00 0.00 C ATOM 86 O ASP A 7 8.462 2.931 13.597 1.00 0.00 O ATOM 87 CB ASP A 7 10.102 0.249 12.278 1.00 0.00 C ATOM 88 CG ASP A 7 11.084 -0.232 11.207 1.00 0.00 C ATOM 89 OD1 ASP A 7 10.787 -0.055 10.037 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.116 -0.767 11.576 1.00 0.00 O ATOM 0 H ASP A 7 11.492 2.108 12.830 1.00 0.00 H new ATOM 0 HA ASP A 7 9.313 1.740 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.585 0.250 13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.254 -0.433 12.342 1.00 0.00 H new ATOM 95 N GLY A 8 7.333 1.315 12.638 1.00 0.00 N ATOM 96 CA GLY A 8 6.125 1.607 13.455 1.00 0.00 C ATOM 97 C GLY A 8 5.351 2.785 12.864 1.00 0.00 C ATOM 98 O GLY A 8 4.465 3.329 13.493 1.00 0.00 O ATOM 0 H GLY A 8 7.234 0.543 11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.484 0.726 13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.418 1.834 14.480 1.00 0.00 H new ATOM 102 N LEU A 9 5.657 3.181 11.660 1.00 0.00 N ATOM 103 CA LEU A 9 4.905 4.316 11.055 1.00 0.00 C ATOM 104 C LEU A 9 3.481 3.863 10.771 1.00 0.00 C ATOM 105 O LEU A 9 3.257 2.895 10.074 1.00 0.00 O ATOM 106 CB LEU A 9 5.623 4.661 9.753 1.00 0.00 C ATOM 107 CG LEU A 9 5.752 6.182 9.642 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.016 6.524 8.854 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.536 6.763 8.912 1.00 0.00 C ATOM 0 H LEU A 9 6.386 2.774 11.074 1.00 0.00 H new ATOM 0 HA LEU A 9 4.864 5.183 11.714 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.609 4.197 9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.068 4.267 8.901 1.00 0.00 H new ATOM 0 HG LEU A 9 5.807 6.608 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.112 7.607 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.887 6.120 9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.952 6.089 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.639 7.846 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.474 6.336 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.629 6.521 9.466 1.00 0.00 H new ATOM 121 N LYS A 10 2.517 4.536 11.317 1.00 0.00 N ATOM 122 CA LYS A 10 1.111 4.111 11.084 1.00 0.00 C ATOM 123 C LYS A 10 0.391 5.071 10.142 1.00 0.00 C ATOM 124 O LYS A 10 0.157 6.220 10.460 1.00 0.00 O ATOM 125 CB LYS A 10 0.455 4.126 12.461 1.00 0.00 C ATOM 126 CG LYS A 10 0.342 2.694 12.987 1.00 0.00 C ATOM 127 CD LYS A 10 -0.753 2.624 14.052 1.00 0.00 C ATOM 128 CE LYS A 10 -0.686 1.272 14.767 1.00 0.00 C ATOM 129 NZ LYS A 10 -1.509 1.444 15.996 1.00 0.00 N ATOM 0 H LYS A 10 2.636 5.357 11.911 1.00 0.00 H new ATOM 0 HA LYS A 10 1.065 3.128 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.044 4.732 13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.533 4.582 12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.111 2.012 12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.295 2.375 13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.628 3.434 14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.732 2.755 13.591 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.079 0.473 14.138 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.342 1.007 15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.511 0.557 16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.108 2.206 16.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.484 1.689 15.729 1.00 0.00 H new ATOM 143 N MET A 11 0.013 4.590 8.995 1.00 0.00 N ATOM 144 CA MET A 11 -0.729 5.450 8.032 1.00 0.00 C ATOM 145 C MET A 11 -2.217 5.347 8.346 1.00 0.00 C ATOM 146 O MET A 11 -2.861 4.377 8.013 1.00 0.00 O ATOM 147 CB MET A 11 -0.424 4.885 6.638 1.00 0.00 C ATOM 148 CG MET A 11 -0.420 3.358 6.676 1.00 0.00 C ATOM 149 SD MET A 11 1.288 2.761 6.722 1.00 0.00 S ATOM 150 CE MET A 11 1.623 2.908 4.950 1.00 0.00 C ATOM 0 H MET A 11 0.185 3.635 8.680 1.00 0.00 H new ATOM 0 HA MET A 11 -0.440 6.499 8.090 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.169 5.236 5.924 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.544 5.250 6.294 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.964 3.004 7.552 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.932 2.960 5.800 1.00 0.00 H new ATOM 0 HE1 MET A 11 2.638 2.569 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.914 2.295 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.519 3.949 4.645 1.00 0.00 H new ATOM 160 N ASP A 12 -2.759 6.326 9.011 1.00 0.00 N ATOM 161 CA ASP A 12 -4.208 6.263 9.371 1.00 0.00 C ATOM 162 C ASP A 12 -5.024 7.223 8.512 1.00 0.00 C ATOM 163 O ASP A 12 -6.135 7.583 8.846 1.00 0.00 O ATOM 164 CB ASP A 12 -4.272 6.676 10.837 1.00 0.00 C ATOM 165 CG ASP A 12 -3.338 7.862 11.087 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.136 7.653 11.093 1.00 0.00 O ATOM 167 OD2 ASP A 12 -3.841 8.958 11.269 1.00 0.00 O ATOM 0 H ASP A 12 -2.268 7.164 9.321 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.622 5.269 9.205 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.294 6.945 11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.987 5.838 11.473 1.00 0.00 H new ATOM 172 N LYS A 13 -4.486 7.632 7.407 1.00 0.00 N ATOM 173 CA LYS A 13 -5.229 8.561 6.517 1.00 0.00 C ATOM 174 C LYS A 13 -6.642 8.030 6.266 1.00 0.00 C ATOM 175 O LYS A 13 -7.573 8.783 6.054 1.00 0.00 O ATOM 176 CB LYS A 13 -4.422 8.568 5.226 1.00 0.00 C ATOM 177 CG LYS A 13 -3.188 9.452 5.408 1.00 0.00 C ATOM 178 CD LYS A 13 -3.625 10.899 5.636 1.00 0.00 C ATOM 179 CE LYS A 13 -2.400 11.815 5.607 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.186 12.213 7.026 1.00 0.00 N ATOM 0 H LYS A 13 -3.559 7.363 7.077 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.339 9.558 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.122 7.553 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.033 8.941 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.598 9.101 6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.549 9.389 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.336 11.201 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.136 10.989 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.529 11.297 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.572 12.686 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.361 12.843 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.029 12.710 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.018 11.364 7.603 1.00 0.00 H new ATOM 194 N THR A 14 -6.805 6.737 6.289 1.00 0.00 N ATOM 195 CA THR A 14 -8.159 6.148 6.052 1.00 0.00 C ATOM 196 C THR A 14 -8.650 5.410 7.301 1.00 0.00 C ATOM 197 O THR A 14 -7.940 5.282 8.279 1.00 0.00 O ATOM 198 CB THR A 14 -7.977 5.168 4.891 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.836 4.359 5.129 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.792 5.946 3.590 1.00 0.00 C ATOM 0 H THR A 14 -6.062 6.060 6.461 1.00 0.00 H new ATOM 0 HA THR A 14 -8.900 6.915 5.825 1.00 0.00 H new ATOM 0 HB THR A 14 -8.860 4.534 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.840 4.053 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.662 5.247 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.671 6.565 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.911 6.582 3.669 1.00 0.00 H new ATOM 208 N LYS A 15 -9.860 4.921 7.270 1.00 0.00 N ATOM 209 CA LYS A 15 -10.403 4.187 8.450 1.00 0.00 C ATOM 210 C LYS A 15 -9.544 2.954 8.734 1.00 0.00 C ATOM 211 O LYS A 15 -9.504 2.454 9.840 1.00 0.00 O ATOM 212 CB LYS A 15 -11.818 3.773 8.043 1.00 0.00 C ATOM 213 CG LYS A 15 -12.828 4.759 8.633 1.00 0.00 C ATOM 214 CD LYS A 15 -13.657 5.378 7.505 1.00 0.00 C ATOM 215 CE LYS A 15 -14.554 4.305 6.883 1.00 0.00 C ATOM 216 NZ LYS A 15 -15.481 5.051 5.987 1.00 0.00 N ATOM 0 H LYS A 15 -10.497 4.998 6.477 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.403 4.795 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.904 3.754 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.029 2.764 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.481 4.247 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.308 5.540 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.265 6.195 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.999 5.802 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.968 3.575 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.102 3.756 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.129 4.382 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.031 5.734 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.932 5.559 5.264 1.00 0.00 H new ATOM 230 N GLN A 16 -8.852 2.468 7.742 1.00 0.00 N ATOM 231 CA GLN A 16 -7.987 1.273 7.950 1.00 0.00 C ATOM 232 C GLN A 16 -6.521 1.705 8.016 1.00 0.00 C ATOM 233 O GLN A 16 -5.808 1.635 7.035 1.00 0.00 O ATOM 234 CB GLN A 16 -8.234 0.385 6.730 1.00 0.00 C ATOM 235 CG GLN A 16 -9.351 -0.611 7.042 1.00 0.00 C ATOM 236 CD GLN A 16 -9.136 -1.890 6.230 1.00 0.00 C ATOM 237 OE1 GLN A 16 -9.033 -2.967 6.786 1.00 0.00 O ATOM 238 NE2 GLN A 16 -9.064 -1.818 4.929 1.00 0.00 N ATOM 0 H GLN A 16 -8.848 2.847 6.795 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.212 0.750 8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.508 0.997 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.321 -0.148 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.360 -0.841 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.320 -0.174 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.150 -0.915 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.921 -2.665 4.378 1.00 0.00 H new ATOM 247 N PRO A 17 -6.124 2.148 9.178 1.00 0.00 N ATOM 248 CA PRO A 17 -4.729 2.610 9.386 1.00 0.00 C ATOM 249 C PRO A 17 -3.744 1.445 9.273 1.00 0.00 C ATOM 250 O PRO A 17 -3.968 0.372 9.796 1.00 0.00 O ATOM 251 CB PRO A 17 -4.748 3.186 10.801 1.00 0.00 C ATOM 252 CG PRO A 17 -5.894 2.501 11.471 1.00 0.00 C ATOM 253 CD PRO A 17 -6.925 2.254 10.402 1.00 0.00 C ATOM 0 HA PRO A 17 -4.406 3.338 8.641 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.810 2.991 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.886 4.267 10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.574 1.564 11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.303 3.120 12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.491 1.342 10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.645 3.070 10.342 1.00 0.00 H new ATOM 261 N VAL A 18 -2.658 1.656 8.585 1.00 0.00 N ATOM 262 CA VAL A 18 -1.650 0.575 8.418 1.00 0.00 C ATOM 263 C VAL A 18 -0.305 1.002 9.012 1.00 0.00 C ATOM 264 O VAL A 18 -0.024 2.174 9.166 1.00 0.00 O ATOM 265 CB VAL A 18 -1.531 0.401 6.907 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.268 -0.392 6.586 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.755 -0.351 6.380 1.00 0.00 C ATOM 0 H VAL A 18 -2.424 2.537 8.128 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.938 -0.346 8.924 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.476 1.380 6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.181 -0.517 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.604 0.145 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.322 -1.371 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.669 -0.475 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.812 -1.331 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.657 0.216 6.609 1.00 0.00 H new ATOM 277 N VAL A 19 0.533 0.059 9.340 1.00 0.00 N ATOM 278 CA VAL A 19 1.864 0.405 9.913 1.00 0.00 C ATOM 279 C VAL A 19 2.961 0.121 8.882 1.00 0.00 C ATOM 280 O VAL A 19 3.070 -0.977 8.373 1.00 0.00 O ATOM 281 CB VAL A 19 2.021 -0.509 11.128 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.420 -0.336 11.722 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.972 -0.145 12.179 1.00 0.00 C ATOM 0 H VAL A 19 0.353 -0.940 9.236 1.00 0.00 H new ATOM 0 HA VAL A 19 1.941 1.458 10.185 1.00 0.00 H new ATOM 0 HB VAL A 19 1.884 -1.546 10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.531 -0.988 12.588 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.168 -0.597 10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.560 0.701 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.084 -0.797 13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.108 0.892 12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.025 -0.271 11.757 1.00 0.00 H new ATOM 293 N PHE A 20 3.776 1.093 8.566 1.00 0.00 N ATOM 294 CA PHE A 20 4.855 0.848 7.566 1.00 0.00 C ATOM 295 C PHE A 20 6.220 0.808 8.248 1.00 0.00 C ATOM 296 O PHE A 20 6.678 1.787 8.805 1.00 0.00 O ATOM 297 CB PHE A 20 4.795 2.016 6.580 1.00 0.00 C ATOM 298 CG PHE A 20 5.863 1.818 5.531 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.804 0.710 4.678 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.917 2.732 5.415 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.798 0.517 3.711 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.909 2.538 4.449 1.00 0.00 C ATOM 303 CZ PHE A 20 7.850 1.432 3.596 1.00 0.00 C ATOM 0 H PHE A 20 3.742 2.036 8.953 1.00 0.00 H new ATOM 0 HA PHE A 20 4.715 -0.109 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.811 2.067 6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.949 2.960 7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.992 0.004 4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.964 3.588 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.753 -0.339 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.722 3.244 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.616 1.284 2.849 1.00 0.00 H new ATOM 313 N ASN A 21 6.880 -0.314 8.196 1.00 0.00 N ATOM 314 CA ASN A 21 8.219 -0.422 8.824 1.00 0.00 C ATOM 315 C ASN A 21 9.296 -0.143 7.773 1.00 0.00 C ATOM 316 O ASN A 21 9.664 -1.010 7.006 1.00 0.00 O ATOM 317 CB ASN A 21 8.297 -1.868 9.299 1.00 0.00 C ATOM 318 CG ASN A 21 8.488 -1.910 10.815 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.503 -1.554 11.594 1.00 0.00 O flip ATOM 320 ND2 ASN A 21 9.542 -2.274 11.297 1.00 0.00 N flip ATOM 0 H ASN A 21 6.545 -1.164 7.742 1.00 0.00 H new ATOM 0 HA ASN A 21 8.370 0.286 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.386 -2.400 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.125 -2.378 8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.312 -2.552 10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.657 -2.301 12.310 1.00 0.00 H new ATOM 327 N HIS A 22 9.798 1.060 7.721 1.00 0.00 N ATOM 328 CA HIS A 22 10.842 1.380 6.705 1.00 0.00 C ATOM 329 C HIS A 22 11.939 0.314 6.735 1.00 0.00 C ATOM 330 O HIS A 22 12.518 -0.021 5.723 1.00 0.00 O ATOM 331 CB HIS A 22 11.406 2.738 7.122 1.00 0.00 C ATOM 332 CG HIS A 22 10.598 3.847 6.497 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.774 4.669 7.251 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.507 4.311 5.204 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.237 5.580 6.420 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.651 5.409 5.164 1.00 0.00 N ATOM 0 H HIS A 22 9.533 1.831 8.334 1.00 0.00 H new ATOM 0 HA HIS A 22 10.440 1.404 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.387 2.831 8.208 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.448 2.818 6.813 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.606 4.596 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.020 3.889 4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.554 6.356 6.732 1.00 0.00 H new ATOM 344 N SER A 23 12.224 -0.230 7.889 1.00 0.00 N ATOM 345 CA SER A 23 13.277 -1.280 7.974 1.00 0.00 C ATOM 346 C SER A 23 13.014 -2.363 6.927 1.00 0.00 C ATOM 347 O SER A 23 13.913 -2.823 6.253 1.00 0.00 O ATOM 348 CB SER A 23 13.156 -1.856 9.384 1.00 0.00 C ATOM 349 OG SER A 23 11.791 -2.141 9.658 1.00 0.00 O ATOM 0 H SER A 23 11.774 0.008 8.773 1.00 0.00 H new ATOM 0 HA SER A 23 14.275 -0.884 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.754 -2.763 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.545 -1.146 10.114 1.00 0.00 H new ATOM 0 HG SER A 23 11.227 -1.435 9.278 1.00 0.00 H new ATOM 355 N THR A 24 11.781 -2.765 6.779 1.00 0.00 N ATOM 356 CA THR A 24 11.456 -3.809 5.767 1.00 0.00 C ATOM 357 C THR A 24 11.603 -3.225 4.362 1.00 0.00 C ATOM 358 O THR A 24 11.570 -3.931 3.374 1.00 0.00 O ATOM 359 CB THR A 24 10.000 -4.195 6.039 1.00 0.00 C ATOM 360 OG1 THR A 24 9.603 -3.676 7.300 1.00 0.00 O ATOM 361 CG2 THR A 24 9.867 -5.718 6.048 1.00 0.00 C ATOM 0 H THR A 24 10.986 -2.416 7.314 1.00 0.00 H new ATOM 0 HA THR A 24 12.118 -4.672 5.832 1.00 0.00 H new ATOM 0 HB THR A 24 9.362 -3.782 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.223 -2.781 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.830 -5.992 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.172 -6.116 5.080 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.504 -6.134 6.829 1.00 0.00 H new ATOM 369 N HIS A 25 11.756 -1.933 4.271 1.00 0.00 N ATOM 370 CA HIS A 25 11.894 -1.288 2.945 1.00 0.00 C ATOM 371 C HIS A 25 13.243 -0.575 2.835 1.00 0.00 C ATOM 372 O HIS A 25 13.615 -0.090 1.785 1.00 0.00 O ATOM 373 CB HIS A 25 10.737 -0.301 2.907 1.00 0.00 C ATOM 374 CG HIS A 25 9.465 -1.061 3.145 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.994 -1.329 4.421 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.577 -1.655 2.285 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.871 -2.057 4.293 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.574 -2.286 3.013 1.00 0.00 N ATOM 0 H HIS A 25 11.791 -1.296 5.067 1.00 0.00 H new ATOM 0 HA HIS A 25 11.865 -1.994 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.868 0.468 3.668 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.702 0.207 1.943 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.421 -1.029 5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.646 -1.636 1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.281 -2.413 5.125 1.00 0.00 H new ATOM 386 N LYS A 26 13.986 -0.518 3.907 1.00 0.00 N ATOM 387 CA LYS A 26 15.314 0.151 3.850 1.00 0.00 C ATOM 388 C LYS A 26 16.112 -0.411 2.673 1.00 0.00 C ATOM 389 O LYS A 26 16.986 0.238 2.130 1.00 0.00 O ATOM 390 CB LYS A 26 15.991 -0.190 5.179 1.00 0.00 C ATOM 391 CG LYS A 26 16.452 -1.649 5.160 1.00 0.00 C ATOM 392 CD LYS A 26 17.224 -1.958 6.444 1.00 0.00 C ATOM 393 CE LYS A 26 18.621 -1.340 6.362 1.00 0.00 C ATOM 394 NZ LYS A 26 19.104 -1.294 7.770 1.00 0.00 N ATOM 0 H LYS A 26 13.731 -0.905 4.816 1.00 0.00 H new ATOM 0 HA LYS A 26 15.239 1.229 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.843 0.469 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.298 -0.028 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.591 -2.312 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.084 -1.830 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.689 -1.561 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.300 -3.036 6.585 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.282 -1.940 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.587 -0.343 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.058 -0.881 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.459 -0.710 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.133 -2.258 8.159 1.00 0.00 H new ATOM 408 N ALA A 27 15.807 -1.614 2.270 1.00 0.00 N ATOM 409 CA ALA A 27 16.531 -2.228 1.122 1.00 0.00 C ATOM 410 C ALA A 27 15.740 -1.997 -0.168 1.00 0.00 C ATOM 411 O ALA A 27 16.150 -2.394 -1.241 1.00 0.00 O ATOM 412 CB ALA A 27 16.603 -3.720 1.449 1.00 0.00 C ATOM 0 H ALA A 27 15.085 -2.200 2.688 1.00 0.00 H new ATOM 0 HA ALA A 27 17.523 -1.800 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.124 -4.243 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.142 -3.862 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.594 -4.120 1.547 1.00 0.00 H new ATOM 418 N VAL A 28 14.610 -1.348 -0.070 1.00 0.00 N ATOM 419 CA VAL A 28 13.794 -1.081 -1.287 1.00 0.00 C ATOM 420 C VAL A 28 14.277 0.201 -1.949 1.00 0.00 C ATOM 421 O VAL A 28 15.139 0.889 -1.438 1.00 0.00 O ATOM 422 CB VAL A 28 12.361 -0.911 -0.783 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.473 -0.390 -1.914 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.824 -2.259 -0.304 1.00 0.00 C ATOM 0 H VAL A 28 14.218 -0.992 0.802 1.00 0.00 H new ATOM 0 HA VAL A 28 13.869 -1.882 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 28 12.355 -0.199 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.453 -0.271 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.850 0.573 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.482 -1.100 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.802 -2.137 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.836 -2.970 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.451 -2.633 0.505 1.00 0.00 H new ATOM 434 N LYS A 29 13.732 0.534 -3.077 1.00 0.00 N ATOM 435 CA LYS A 29 14.170 1.778 -3.753 1.00 0.00 C ATOM 436 C LYS A 29 13.452 2.978 -3.158 1.00 0.00 C ATOM 437 O LYS A 29 12.284 3.206 -3.400 1.00 0.00 O ATOM 438 CB LYS A 29 13.788 1.620 -5.214 1.00 0.00 C ATOM 439 CG LYS A 29 15.059 1.490 -6.048 1.00 0.00 C ATOM 440 CD LYS A 29 15.330 0.012 -6.340 1.00 0.00 C ATOM 441 CE LYS A 29 14.535 -0.419 -7.575 1.00 0.00 C ATOM 442 NZ LYS A 29 14.017 -1.776 -7.244 1.00 0.00 N ATOM 0 H LYS A 29 13.006 0.003 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 29 15.241 1.940 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.159 0.739 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.206 2.480 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.952 2.042 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.903 1.927 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.395 -0.147 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.047 -0.597 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.720 0.275 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.167 -0.443 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.460 -2.140 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.815 -2.416 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.414 -1.721 -6.399 1.00 0.00 H new ATOM 456 N CYS A 30 14.149 3.751 -2.395 1.00 0.00 N ATOM 457 CA CYS A 30 13.517 4.957 -1.792 1.00 0.00 C ATOM 458 C CYS A 30 12.830 5.751 -2.901 1.00 0.00 C ATOM 459 O CYS A 30 11.925 6.525 -2.664 1.00 0.00 O ATOM 460 CB CYS A 30 14.666 5.763 -1.182 1.00 0.00 C ATOM 461 SG CYS A 30 14.971 5.196 0.511 1.00 0.00 S ATOM 0 H CYS A 30 15.130 3.607 -2.157 1.00 0.00 H new ATOM 0 HA CYS A 30 12.769 4.713 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.567 5.645 -1.784 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.420 6.825 -1.182 1.00 0.00 H new ATOM 466 N GLY A 31 13.259 5.547 -4.117 1.00 0.00 N ATOM 467 CA GLY A 31 12.641 6.266 -5.263 1.00 0.00 C ATOM 468 C GLY A 31 11.478 5.437 -5.806 1.00 0.00 C ATOM 469 O GLY A 31 10.756 5.863 -6.683 1.00 0.00 O ATOM 0 H GLY A 31 14.015 4.909 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.287 7.247 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.381 6.433 -6.045 1.00 0.00 H new ATOM 473 N ASP A 32 11.277 4.258 -5.284 1.00 0.00 N ATOM 474 CA ASP A 32 10.143 3.425 -5.767 1.00 0.00 C ATOM 475 C ASP A 32 8.860 3.932 -5.123 1.00 0.00 C ATOM 476 O ASP A 32 7.885 4.226 -5.783 1.00 0.00 O ATOM 477 CB ASP A 32 10.453 2.015 -5.286 1.00 0.00 C ATOM 478 CG ASP A 32 9.410 1.055 -5.841 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.440 0.798 -7.033 1.00 0.00 O ATOM 480 OD2 ASP A 32 8.594 0.594 -5.061 1.00 0.00 O ATOM 0 H ASP A 32 11.846 3.839 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 32 10.018 3.459 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.449 1.717 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.452 1.981 -4.197 1.00 0.00 H new ATOM 485 N CYS A 33 8.874 4.059 -3.827 1.00 0.00 N ATOM 486 CA CYS A 33 7.675 4.576 -3.116 1.00 0.00 C ATOM 487 C CYS A 33 7.647 6.100 -3.254 1.00 0.00 C ATOM 488 O CYS A 33 6.696 6.673 -3.745 1.00 0.00 O ATOM 489 CB CYS A 33 7.873 4.159 -1.660 1.00 0.00 C ATOM 490 SG CYS A 33 7.961 2.354 -1.561 1.00 0.00 S ATOM 0 H CYS A 33 9.666 3.826 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 33 6.734 4.192 -3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.787 4.601 -1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.050 4.528 -1.049 1.00 0.00 H new ATOM 495 N HIS A 34 8.704 6.757 -2.854 1.00 0.00 N ATOM 496 CA HIS A 34 8.760 8.239 -2.995 1.00 0.00 C ATOM 497 C HIS A 34 9.319 8.584 -4.375 1.00 0.00 C ATOM 498 O HIS A 34 10.210 9.399 -4.502 1.00 0.00 O ATOM 499 CB HIS A 34 9.731 8.721 -1.917 1.00 0.00 C ATOM 500 CG HIS A 34 9.177 8.449 -0.544 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.028 9.064 -0.067 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.629 7.658 0.482 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.836 8.641 1.196 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.785 7.785 1.578 1.00 0.00 N ATOM 0 H HIS A 34 9.530 6.330 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 34 7.779 8.701 -2.890 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.691 8.218 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.914 9.789 -2.036 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.437 9.718 -0.580 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.508 7.032 0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.015 8.956 1.823 1.00 0.00 H new ATOM 512 N HIS A 35 8.823 7.952 -5.405 1.00 0.00 N ATOM 513 CA HIS A 35 9.347 8.230 -6.775 1.00 0.00 C ATOM 514 C HIS A 35 9.721 9.706 -6.920 1.00 0.00 C ATOM 515 O HIS A 35 9.260 10.545 -6.171 1.00 0.00 O ATOM 516 CB HIS A 35 8.215 7.853 -7.730 1.00 0.00 C ATOM 517 CG HIS A 35 6.908 8.343 -7.195 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.503 9.639 -7.396 1.00 0.00 N ATOM 519 CD2 HIS A 35 5.898 7.730 -6.489 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.295 9.782 -6.828 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.876 8.646 -6.261 1.00 0.00 N ATOM 0 H HIS A 35 8.079 7.256 -5.358 1.00 0.00 H new ATOM 0 HA HIS A 35 10.252 7.661 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.399 8.285 -8.714 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.182 6.771 -7.858 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.026 10.363 -7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.899 6.700 -6.163 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.730 10.703 -6.829 1.00 0.00 H new ATOM 529 N PRO A 36 10.565 9.966 -7.879 1.00 0.00 N ATOM 530 CA PRO A 36 11.044 11.348 -8.128 1.00 0.00 C ATOM 531 C PRO A 36 9.915 12.248 -8.628 1.00 0.00 C ATOM 532 O PRO A 36 9.550 12.226 -9.788 1.00 0.00 O ATOM 533 CB PRO A 36 12.122 11.166 -9.195 1.00 0.00 C ATOM 534 CG PRO A 36 11.771 9.883 -9.874 1.00 0.00 C ATOM 535 CD PRO A 36 11.144 9.006 -8.824 1.00 0.00 C ATOM 0 HA PRO A 36 11.418 11.833 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.127 11.998 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.116 11.119 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.080 10.056 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.658 9.411 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.383 8.352 -9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.883 8.365 -8.343 1.00 0.00 H new ATOM 543 N VAL A 37 9.374 13.053 -7.759 1.00 0.00 N ATOM 544 CA VAL A 37 8.283 13.978 -8.167 1.00 0.00 C ATOM 545 C VAL A 37 8.861 15.380 -8.347 1.00 0.00 C ATOM 546 O VAL A 37 9.836 15.741 -7.721 1.00 0.00 O ATOM 547 CB VAL A 37 7.281 13.948 -7.013 1.00 0.00 C ATOM 548 CG1 VAL A 37 6.367 15.173 -7.097 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.437 12.675 -7.105 1.00 0.00 C ATOM 0 H VAL A 37 9.643 13.110 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 37 7.812 13.693 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 37 7.819 13.961 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.653 15.151 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.968 16.080 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.829 15.161 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.722 12.652 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.900 12.662 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.087 11.802 -7.045 1.00 0.00 H new ATOM 559 N ASN A 38 8.270 16.178 -9.186 1.00 0.00 N ATOM 560 CA ASN A 38 8.800 17.554 -9.382 1.00 0.00 C ATOM 561 C ASN A 38 10.319 17.515 -9.578 1.00 0.00 C ATOM 562 O ASN A 38 11.020 18.444 -9.231 1.00 0.00 O ATOM 563 CB ASN A 38 8.466 18.262 -8.079 1.00 0.00 C ATOM 564 CG ASN A 38 8.552 19.776 -8.273 1.00 0.00 C ATOM 565 OD1 ASN A 38 7.582 20.532 -7.838 1.00 0.00 O flip ATOM 566 ND2 ASN A 38 9.512 20.277 -8.826 1.00 0.00 N flip ATOM 0 H ASN A 38 7.448 15.941 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 38 8.378 18.047 -10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.464 17.985 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.156 17.947 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.270 19.686 -9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.559 21.288 -8.950 1.00 0.00 H new ATOM 573 N GLY A 39 10.840 16.444 -10.113 1.00 0.00 N ATOM 574 CA GLY A 39 12.310 16.355 -10.303 1.00 0.00 C ATOM 575 C GLY A 39 12.947 15.847 -9.011 1.00 0.00 C ATOM 576 O GLY A 39 14.125 15.549 -8.964 1.00 0.00 O ATOM 0 H GLY A 39 10.310 15.630 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.543 15.682 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.716 17.332 -10.564 1.00 0.00 H new ATOM 580 N LYS A 40 12.180 15.746 -7.954 1.00 0.00 N ATOM 581 CA LYS A 40 12.757 15.256 -6.666 1.00 0.00 C ATOM 582 C LYS A 40 11.821 14.236 -6.009 1.00 0.00 C ATOM 583 O LYS A 40 10.618 14.401 -5.999 1.00 0.00 O ATOM 584 CB LYS A 40 12.885 16.503 -5.792 1.00 0.00 C ATOM 585 CG LYS A 40 11.533 17.215 -5.716 1.00 0.00 C ATOM 586 CD LYS A 40 11.345 17.809 -4.319 1.00 0.00 C ATOM 587 CE LYS A 40 12.483 18.788 -4.022 1.00 0.00 C ATOM 588 NZ LYS A 40 12.263 19.215 -2.612 1.00 0.00 N ATOM 0 H LYS A 40 11.187 15.980 -7.927 1.00 0.00 H new ATOM 0 HA LYS A 40 13.714 14.755 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.219 16.226 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.638 17.174 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.483 18.003 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.728 16.514 -5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.385 18.321 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.331 17.014 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.456 18.312 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.459 19.640 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.005 19.889 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.332 19.671 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.298 18.384 -1.988 1.00 0.00 H new ATOM 602 N GLU A 41 12.365 13.184 -5.453 1.00 0.00 N ATOM 603 CA GLU A 41 11.501 12.162 -4.792 1.00 0.00 C ATOM 604 C GLU A 41 10.904 12.730 -3.508 1.00 0.00 C ATOM 605 O GLU A 41 11.602 12.954 -2.541 1.00 0.00 O ATOM 606 CB GLU A 41 12.427 10.995 -4.447 1.00 0.00 C ATOM 607 CG GLU A 41 12.810 10.239 -5.720 1.00 0.00 C ATOM 608 CD GLU A 41 14.150 9.531 -5.507 1.00 0.00 C ATOM 609 OE1 GLU A 41 15.154 10.221 -5.423 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.150 8.315 -5.433 1.00 0.00 O ATOM 0 H GLU A 41 13.366 12.989 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 41 10.679 11.857 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.324 11.366 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.931 10.321 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.038 9.512 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.881 10.931 -6.559 1.00 0.00 H new ATOM 617 N ASP A 42 9.623 12.949 -3.476 1.00 0.00 N ATOM 618 CA ASP A 42 9.014 13.480 -2.230 1.00 0.00 C ATOM 619 C ASP A 42 9.091 12.413 -1.143 1.00 0.00 C ATOM 620 O ASP A 42 8.294 11.497 -1.095 1.00 0.00 O ATOM 621 CB ASP A 42 7.564 13.788 -2.573 1.00 0.00 C ATOM 622 CG ASP A 42 7.507 14.978 -3.532 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.371 15.065 -4.389 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.602 15.783 -3.393 1.00 0.00 O ATOM 0 H ASP A 42 8.977 12.786 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 42 9.527 14.370 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.095 12.917 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.004 14.012 -1.665 1.00 0.00 H new ATOM 629 N TYR A 43 10.054 12.520 -0.280 1.00 0.00 N ATOM 630 CA TYR A 43 10.202 11.508 0.802 1.00 0.00 C ATOM 631 C TYR A 43 9.257 11.834 1.963 1.00 0.00 C ATOM 632 O TYR A 43 9.671 11.935 3.100 1.00 0.00 O ATOM 633 CB TYR A 43 11.659 11.616 1.255 1.00 0.00 C ATOM 634 CG TYR A 43 12.577 11.258 0.110 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.828 9.914 -0.198 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.183 12.271 -0.644 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.682 9.586 -1.257 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.036 11.942 -1.703 1.00 0.00 C ATOM 639 CZ TYR A 43 14.285 10.599 -2.010 1.00 0.00 C ATOM 640 OH TYR A 43 15.126 10.275 -3.055 1.00 0.00 O ATOM 0 H TYR A 43 10.749 13.266 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 43 9.955 10.503 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.869 12.629 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.838 10.950 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.362 9.131 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.992 13.307 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.876 8.550 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.502 12.724 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 43 15.106 10.990 -3.725 1.00 0.00 H new ATOM 650 N GLN A 44 7.993 12.006 1.685 1.00 0.00 N ATOM 651 CA GLN A 44 7.030 12.332 2.778 1.00 0.00 C ATOM 652 C GLN A 44 5.895 11.307 2.814 1.00 0.00 C ATOM 653 O GLN A 44 5.777 10.465 1.948 1.00 0.00 O ATOM 654 CB GLN A 44 6.490 13.721 2.433 1.00 0.00 C ATOM 655 CG GLN A 44 6.144 13.781 0.944 1.00 0.00 C ATOM 656 CD GLN A 44 5.511 15.136 0.621 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.330 15.219 0.349 1.00 0.00 O ATOM 658 NE2 GLN A 44 6.253 16.210 0.639 1.00 0.00 N ATOM 0 H GLN A 44 7.586 11.935 0.752 1.00 0.00 H new ATOM 0 HA GLN A 44 7.503 12.311 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.605 13.937 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.232 14.482 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.043 13.636 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.456 12.976 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.245 16.141 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.841 17.118 0.425 1.00 0.00 H new ATOM 667 N LYS A 45 5.060 11.371 3.815 1.00 0.00 N ATOM 668 CA LYS A 45 3.941 10.395 3.910 1.00 0.00 C ATOM 669 C LYS A 45 3.236 10.262 2.562 1.00 0.00 C ATOM 670 O LYS A 45 2.872 11.238 1.935 1.00 0.00 O ATOM 671 CB LYS A 45 2.996 10.970 4.963 1.00 0.00 C ATOM 672 CG LYS A 45 3.354 10.398 6.336 1.00 0.00 C ATOM 673 CD LYS A 45 2.536 11.111 7.415 1.00 0.00 C ATOM 674 CE LYS A 45 2.623 10.325 8.725 1.00 0.00 C ATOM 675 NZ LYS A 45 1.214 9.973 9.057 1.00 0.00 N ATOM 0 H LYS A 45 5.105 12.056 4.569 1.00 0.00 H new ATOM 0 HA LYS A 45 4.287 9.398 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.071 12.057 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.964 10.725 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.152 9.327 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.419 10.526 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.911 12.124 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.496 11.199 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.236 9.431 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.077 10.923 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.191 9.432 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.656 10.843 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.810 9.398 8.290 1.00 0.00 H new ATOM 689 N CYS A 46 3.047 9.056 2.114 1.00 0.00 N ATOM 690 CA CYS A 46 2.373 8.833 0.805 1.00 0.00 C ATOM 691 C CYS A 46 1.146 9.735 0.665 1.00 0.00 C ATOM 692 O CYS A 46 0.890 10.294 -0.384 1.00 0.00 O ATOM 693 CB CYS A 46 1.960 7.364 0.837 1.00 0.00 C ATOM 694 SG CYS A 46 3.439 6.324 0.971 1.00 0.00 S ATOM 0 H CYS A 46 3.332 8.207 2.601 1.00 0.00 H new ATOM 0 HA CYS A 46 3.021 9.066 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.295 7.180 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.405 7.111 -0.067 1.00 0.00 H new ATOM 699 N ALA A 47 0.383 9.874 1.709 1.00 0.00 N ATOM 700 CA ALA A 47 -0.837 10.730 1.634 1.00 0.00 C ATOM 701 C ALA A 47 -0.594 12.086 2.296 1.00 0.00 C ATOM 702 O ALA A 47 -1.282 12.465 3.223 1.00 0.00 O ATOM 703 CB ALA A 47 -1.898 9.963 2.405 1.00 0.00 C ATOM 0 H ALA A 47 0.549 9.433 2.614 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.127 10.929 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.831 10.526 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.057 8.992 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.568 9.820 3.434 1.00 0.00 H new ATOM 709 N THR A 48 0.373 12.817 1.831 1.00 0.00 N ATOM 710 CA THR A 48 0.653 14.150 2.436 1.00 0.00 C ATOM 711 C THR A 48 -0.621 15.006 2.445 1.00 0.00 C ATOM 712 O THR A 48 -1.718 14.504 2.306 1.00 0.00 O ATOM 713 CB THR A 48 1.728 14.783 1.552 1.00 0.00 C ATOM 714 OG1 THR A 48 2.558 13.763 1.015 1.00 0.00 O ATOM 715 CG2 THR A 48 2.575 15.745 2.386 1.00 0.00 C ATOM 0 H THR A 48 0.984 12.553 1.058 1.00 0.00 H new ATOM 0 HA THR A 48 0.986 14.068 3.471 1.00 0.00 H new ATOM 0 HB THR A 48 1.253 15.332 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.038 14.109 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.341 16.196 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.938 16.527 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.051 15.198 3.200 1.00 0.00 H new ATOM 723 N ALA A 49 -0.485 16.294 2.613 1.00 0.00 N ATOM 724 CA ALA A 49 -1.691 17.177 2.637 1.00 0.00 C ATOM 725 C ALA A 49 -2.206 17.424 1.216 1.00 0.00 C ATOM 726 O ALA A 49 -3.276 17.965 1.017 1.00 0.00 O ATOM 727 CB ALA A 49 -1.212 18.484 3.268 1.00 0.00 C ATOM 0 H ALA A 49 0.407 16.774 2.735 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.514 16.730 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.042 19.188 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.838 18.287 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.414 18.910 2.660 1.00 0.00 H new ATOM 733 N GLY A 50 -1.455 17.025 0.230 1.00 0.00 N ATOM 734 CA GLY A 50 -1.895 17.221 -1.183 1.00 0.00 C ATOM 735 C GLY A 50 -1.352 16.061 -2.006 1.00 0.00 C ATOM 736 O GLY A 50 -1.251 16.121 -3.215 1.00 0.00 O ATOM 0 H GLY A 50 -0.549 16.569 0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.983 17.255 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.524 18.170 -1.570 1.00 0.00 H new ATOM 740 N CYS A 51 -0.986 15.009 -1.334 1.00 0.00 N ATOM 741 CA CYS A 51 -0.424 13.824 -2.007 1.00 0.00 C ATOM 742 C CYS A 51 -1.524 12.756 -2.162 1.00 0.00 C ATOM 743 O CYS A 51 -2.610 13.054 -2.619 1.00 0.00 O ATOM 744 CB CYS A 51 0.673 13.420 -1.027 1.00 0.00 C ATOM 745 SG CYS A 51 2.280 13.937 -1.680 1.00 0.00 S ATOM 0 H CYS A 51 -1.058 14.926 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.044 13.980 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.497 13.882 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.660 12.341 -0.874 1.00 0.00 H new ATOM 750 N HIS A 52 -1.279 11.528 -1.786 1.00 0.00 N ATOM 751 CA HIS A 52 -2.345 10.494 -1.920 1.00 0.00 C ATOM 752 C HIS A 52 -3.338 10.645 -0.766 1.00 0.00 C ATOM 753 O HIS A 52 -3.625 9.704 -0.054 1.00 0.00 O ATOM 754 CB HIS A 52 -1.620 9.149 -1.819 1.00 0.00 C ATOM 755 CG HIS A 52 -0.787 8.916 -3.041 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.360 8.711 -4.272 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.569 8.836 -3.236 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.367 8.517 -5.160 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.832 8.589 -4.577 1.00 0.00 N ATOM 0 H HIS A 52 -0.396 11.199 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.899 10.583 -2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.988 9.134 -0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.346 8.344 -1.706 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.359 8.707 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.317 8.948 -2.465 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.521 8.327 -6.212 1.00 0.00 H new ATOM 767 N ASP A 53 -3.847 11.830 -0.562 1.00 0.00 N ATOM 768 CA ASP A 53 -4.801 12.050 0.561 1.00 0.00 C ATOM 769 C ASP A 53 -6.254 11.991 0.081 1.00 0.00 C ATOM 770 O ASP A 53 -7.139 12.535 0.711 1.00 0.00 O ATOM 771 CB ASP A 53 -4.471 13.449 1.085 1.00 0.00 C ATOM 772 CG ASP A 53 -4.747 14.481 -0.010 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.904 14.816 -0.203 1.00 0.00 O ATOM 774 OD2 ASP A 53 -3.796 14.919 -0.637 1.00 0.00 O ATOM 0 H ASP A 53 -3.643 12.655 -1.125 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.703 11.281 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.072 13.670 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.426 13.498 1.390 1.00 0.00 H new ATOM 779 N ASN A 54 -6.523 11.334 -1.015 1.00 0.00 N ATOM 780 CA ASN A 54 -7.934 11.259 -1.487 1.00 0.00 C ATOM 781 C ASN A 54 -8.681 10.184 -0.692 1.00 0.00 C ATOM 782 O ASN A 54 -8.488 9.002 -0.894 1.00 0.00 O ATOM 783 CB ASN A 54 -7.854 10.884 -2.966 1.00 0.00 C ATOM 784 CG ASN A 54 -8.856 11.725 -3.756 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.783 11.127 -4.448 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.794 12.938 -3.743 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.837 10.852 -1.596 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.470 12.198 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.845 11.053 -3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.070 9.823 -3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.068 13.406 -3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.468 13.489 -4.274 1.00 0.00 H new ATOM 793 N MET A 55 -9.523 10.588 0.221 1.00 0.00 N ATOM 794 CA MET A 55 -10.272 9.594 1.039 1.00 0.00 C ATOM 795 C MET A 55 -11.459 9.036 0.251 1.00 0.00 C ATOM 796 O MET A 55 -12.301 8.344 0.787 1.00 0.00 O ATOM 797 CB MET A 55 -10.758 10.378 2.256 1.00 0.00 C ATOM 798 CG MET A 55 -9.583 11.135 2.879 1.00 0.00 C ATOM 799 SD MET A 55 -9.377 10.617 4.601 1.00 0.00 S ATOM 800 CE MET A 55 -7.620 11.022 4.752 1.00 0.00 C ATOM 0 H MET A 55 -9.724 11.565 0.435 1.00 0.00 H new ATOM 0 HA MET A 55 -9.654 8.741 1.318 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.540 11.078 1.962 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.196 9.699 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.670 10.938 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.761 12.209 2.830 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.351 11.086 5.806 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.025 10.245 4.272 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.424 11.979 4.268 1.00 0.00 H new ATOM 810 N ASP A 56 -11.532 9.326 -1.019 1.00 0.00 N ATOM 811 CA ASP A 56 -12.663 8.803 -1.834 1.00 0.00 C ATOM 812 C ASP A 56 -12.395 7.348 -2.221 1.00 0.00 C ATOM 813 O ASP A 56 -13.274 6.642 -2.675 1.00 0.00 O ATOM 814 CB ASP A 56 -12.701 9.692 -3.078 1.00 0.00 C ATOM 815 CG ASP A 56 -14.134 9.762 -3.612 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.973 9.044 -3.095 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.365 10.533 -4.528 1.00 0.00 O ATOM 0 H ASP A 56 -10.859 9.901 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.610 8.823 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.343 10.692 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.035 9.293 -3.844 1.00 0.00 H new ATOM 822 N LYS A 57 -11.183 6.892 -2.041 1.00 0.00 N ATOM 823 CA LYS A 57 -10.857 5.483 -2.394 1.00 0.00 C ATOM 824 C LYS A 57 -11.454 5.126 -3.758 1.00 0.00 C ATOM 825 O LYS A 57 -11.681 3.972 -4.064 1.00 0.00 O ATOM 826 CB LYS A 57 -11.494 4.643 -1.288 1.00 0.00 C ATOM 827 CG LYS A 57 -11.145 5.243 0.073 1.00 0.00 C ATOM 828 CD LYS A 57 -12.424 5.431 0.891 1.00 0.00 C ATOM 829 CE LYS A 57 -13.158 4.093 1.007 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.590 4.456 1.197 1.00 0.00 N ATOM 0 H LYS A 57 -10.407 7.436 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.783 5.312 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.576 4.613 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.137 3.615 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.454 4.589 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.641 6.200 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.181 5.812 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.067 6.171 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.020 3.488 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.784 3.509 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.159 3.590 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.692 5.026 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.920 5.006 0.378 1.00 0.00 H new ATOM 844 N LYS A 58 -11.713 6.109 -4.580 1.00 0.00 N ATOM 845 CA LYS A 58 -12.299 5.824 -5.922 1.00 0.00 C ATOM 846 C LYS A 58 -11.585 6.641 -7.005 1.00 0.00 C ATOM 847 O LYS A 58 -11.839 6.480 -8.182 1.00 0.00 O ATOM 848 CB LYS A 58 -13.764 6.253 -5.813 1.00 0.00 C ATOM 849 CG LYS A 58 -14.459 5.440 -4.719 1.00 0.00 C ATOM 850 CD LYS A 58 -15.196 4.258 -5.352 1.00 0.00 C ATOM 851 CE LYS A 58 -16.401 3.884 -4.484 1.00 0.00 C ATOM 852 NZ LYS A 58 -16.251 2.424 -4.228 1.00 0.00 N ATOM 0 H LYS A 58 -11.544 7.095 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.196 4.775 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.825 7.317 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.269 6.103 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.726 5.081 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.161 6.070 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.526 4.518 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.524 3.405 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.408 4.450 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.339 4.101 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.041 2.092 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.255 1.911 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.353 2.249 -3.734 1.00 0.00 H new ATOM 866 N ASP A 59 -10.696 7.518 -6.621 1.00 0.00 N ATOM 867 CA ASP A 59 -9.977 8.340 -7.638 1.00 0.00 C ATOM 868 C ASP A 59 -9.164 7.440 -8.570 1.00 0.00 C ATOM 869 O ASP A 59 -8.946 7.757 -9.722 1.00 0.00 O ATOM 870 CB ASP A 59 -9.054 9.252 -6.832 1.00 0.00 C ATOM 871 CG ASP A 59 -8.097 9.979 -7.778 1.00 0.00 C ATOM 872 OD1 ASP A 59 -8.574 10.553 -8.743 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.904 9.947 -7.524 1.00 0.00 O ATOM 0 H ASP A 59 -10.437 7.700 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.662 8.908 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.643 9.975 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.489 8.666 -6.107 1.00 0.00 H new ATOM 878 N LYS A 60 -8.712 6.319 -8.080 1.00 0.00 N ATOM 879 CA LYS A 60 -7.912 5.399 -8.939 1.00 0.00 C ATOM 880 C LYS A 60 -6.899 6.197 -9.766 1.00 0.00 C ATOM 881 O LYS A 60 -6.506 5.792 -10.842 1.00 0.00 O ATOM 882 CB LYS A 60 -8.935 4.722 -9.851 1.00 0.00 C ATOM 883 CG LYS A 60 -8.839 3.203 -9.687 1.00 0.00 C ATOM 884 CD LYS A 60 -7.692 2.669 -10.545 1.00 0.00 C ATOM 885 CE LYS A 60 -8.051 2.813 -12.026 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.821 3.353 -12.668 1.00 0.00 N ATOM 0 H LYS A 60 -8.861 6.000 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.345 4.675 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.940 5.062 -9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.752 4.999 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.673 2.949 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.778 2.735 -9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.775 3.217 -10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.502 1.623 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.334 1.854 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.897 3.487 -12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.014 3.559 -13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.532 4.227 -12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.057 2.651 -12.600 1.00 0.00 H new ATOM 900 N SER A 61 -6.474 7.328 -9.272 1.00 0.00 N ATOM 901 CA SER A 61 -5.487 8.150 -10.030 1.00 0.00 C ATOM 902 C SER A 61 -4.157 8.213 -9.274 1.00 0.00 C ATOM 903 O SER A 61 -3.900 7.428 -8.383 1.00 0.00 O ATOM 904 CB SER A 61 -6.117 9.539 -10.122 1.00 0.00 C ATOM 905 OG SER A 61 -5.981 10.027 -11.450 1.00 0.00 O ATOM 0 H SER A 61 -6.767 7.719 -8.377 1.00 0.00 H new ATOM 0 HA SER A 61 -5.272 7.733 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.170 9.493 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.632 10.218 -9.421 1.00 0.00 H new ATOM 0 HG SER A 61 -6.385 10.917 -11.514 1.00 0.00 H new ATOM 911 N ALA A 62 -3.310 9.142 -9.623 1.00 0.00 N ATOM 912 CA ALA A 62 -1.997 9.255 -8.925 1.00 0.00 C ATOM 913 C ALA A 62 -2.133 10.122 -7.669 1.00 0.00 C ATOM 914 O ALA A 62 -1.153 10.524 -7.073 1.00 0.00 O ATOM 915 CB ALA A 62 -1.067 9.925 -9.937 1.00 0.00 C ATOM 0 H ALA A 62 -3.470 9.828 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.620 8.285 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.077 10.044 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.995 9.305 -10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.465 10.904 -10.205 1.00 0.00 H new ATOM 921 N LYS A 63 -3.339 10.419 -7.264 1.00 0.00 N ATOM 922 CA LYS A 63 -3.529 11.262 -6.048 1.00 0.00 C ATOM 923 C LYS A 63 -4.424 10.545 -5.036 1.00 0.00 C ATOM 924 O LYS A 63 -4.632 11.018 -3.936 1.00 0.00 O ATOM 925 CB LYS A 63 -4.210 12.535 -6.550 1.00 0.00 C ATOM 926 CG LYS A 63 -3.651 13.745 -5.799 1.00 0.00 C ATOM 927 CD LYS A 63 -4.672 14.219 -4.763 1.00 0.00 C ATOM 928 CE LYS A 63 -4.364 15.665 -4.365 1.00 0.00 C ATOM 929 NZ LYS A 63 -5.428 16.478 -5.015 1.00 0.00 N ATOM 0 H LYS A 63 -4.199 10.115 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.585 11.472 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.044 12.650 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.287 12.467 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.715 13.481 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.427 14.550 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.680 14.150 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.640 13.574 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.379 15.788 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.373 15.966 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.284 17.483 -4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.385 16.346 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.359 16.174 -4.666 1.00 0.00 H new ATOM 943 N GLY A 64 -4.953 9.410 -5.394 1.00 0.00 N ATOM 944 CA GLY A 64 -5.829 8.673 -4.450 1.00 0.00 C ATOM 945 C GLY A 64 -4.964 7.911 -3.453 1.00 0.00 C ATOM 946 O GLY A 64 -3.831 7.570 -3.725 1.00 0.00 O ATOM 0 H GLY A 64 -4.815 8.962 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.484 9.368 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.471 7.981 -4.996 1.00 0.00 H new ATOM 950 N TYR A 65 -5.492 7.649 -2.297 1.00 0.00 N ATOM 951 CA TYR A 65 -4.707 6.915 -1.267 1.00 0.00 C ATOM 952 C TYR A 65 -4.968 5.413 -1.354 1.00 0.00 C ATOM 953 O TYR A 65 -4.189 4.614 -0.881 1.00 0.00 O ATOM 954 CB TYR A 65 -5.208 7.449 0.070 1.00 0.00 C ATOM 955 CG TYR A 65 -4.204 7.106 1.141 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.855 7.430 0.961 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.619 6.460 2.309 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.920 7.107 1.951 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.684 6.137 3.299 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.334 6.462 3.121 1.00 0.00 C ATOM 961 OH TYR A 65 -1.412 6.144 4.096 1.00 0.00 O ATOM 0 H TYR A 65 -6.437 7.911 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.635 7.061 -1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.347 8.529 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.178 7.014 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.535 7.929 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.661 6.210 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.878 7.356 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.004 5.637 4.201 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.335 6.889 4.728 1.00 0.00 H new ATOM 971 N TYR A 66 -6.061 5.019 -1.940 1.00 0.00 N ATOM 972 CA TYR A 66 -6.360 3.570 -2.034 1.00 0.00 C ATOM 973 C TYR A 66 -5.940 3.032 -3.406 1.00 0.00 C ATOM 974 O TYR A 66 -6.011 1.849 -3.669 1.00 0.00 O ATOM 975 CB TYR A 66 -7.872 3.486 -1.842 1.00 0.00 C ATOM 976 CG TYR A 66 -8.388 2.222 -2.470 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.541 2.157 -3.854 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.701 1.119 -1.672 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.015 0.982 -4.451 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.173 -0.057 -2.262 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.331 -0.127 -3.654 1.00 0.00 C ATOM 982 OH TYR A 66 -9.798 -1.287 -4.238 1.00 0.00 O ATOM 0 H TYR A 66 -6.757 5.637 -2.356 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.823 2.974 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.116 3.503 -0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.355 4.352 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.294 3.012 -4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.578 1.175 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.137 0.931 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.416 -0.911 -1.647 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.967 -1.958 -3.544 1.00 0.00 H new ATOM 992 N HIS A 67 -5.494 3.889 -4.281 1.00 0.00 N ATOM 993 CA HIS A 67 -5.061 3.418 -5.628 1.00 0.00 C ATOM 994 C HIS A 67 -3.569 3.084 -5.611 1.00 0.00 C ATOM 995 O HIS A 67 -3.175 1.943 -5.747 1.00 0.00 O ATOM 996 CB HIS A 67 -5.331 4.591 -6.570 1.00 0.00 C ATOM 997 CG HIS A 67 -4.575 4.374 -7.849 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.999 3.471 -8.809 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.404 4.908 -8.327 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.095 3.482 -9.804 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.103 4.343 -9.562 1.00 0.00 N ATOM 0 H HIS A 67 -5.410 4.893 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.591 2.517 -5.938 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.399 4.673 -6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.022 5.527 -6.104 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.844 2.901 -8.769 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.808 5.653 -7.821 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.163 2.869 -10.691 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.736 4.072 -5.448 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.267 3.820 -5.429 1.00 0.00 C ATOM 1011 C ALA A 68 -0.917 2.692 -4.450 1.00 0.00 C ATOM 1012 O ALA A 68 0.180 2.177 -4.457 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.648 5.137 -4.962 1.00 0.00 C ATOM 0 H ALA A 68 -3.009 5.047 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.897 3.510 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.436 5.035 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.912 5.931 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.027 5.386 -3.971 1.00 0.00 H new ATOM 1019 N MET A 69 -1.825 2.318 -3.592 1.00 0.00 N ATOM 1020 CA MET A 69 -1.515 1.238 -2.613 1.00 0.00 C ATOM 1021 C MET A 69 -2.020 -0.125 -3.091 1.00 0.00 C ATOM 1022 O MET A 69 -1.333 -1.119 -2.967 1.00 0.00 O ATOM 1023 CB MET A 69 -2.230 1.662 -1.339 1.00 0.00 C ATOM 1024 CG MET A 69 -1.657 2.997 -0.866 1.00 0.00 C ATOM 1025 SD MET A 69 -0.739 2.756 0.674 1.00 0.00 S ATOM 1026 CE MET A 69 0.619 3.892 0.300 1.00 0.00 C ATOM 0 H MET A 69 -2.764 2.711 -3.526 1.00 0.00 H new ATOM 0 HA MET A 69 -0.441 1.118 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.300 1.756 -1.522 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.104 0.904 -0.566 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.001 3.413 -1.630 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.462 3.715 -0.712 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.359 3.850 1.099 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.086 3.603 -0.642 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.231 4.907 0.217 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.208 -0.199 -3.619 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.722 -1.518 -4.075 1.00 0.00 C ATOM 1038 C HIS A 70 -3.514 -1.691 -5.581 1.00 0.00 C ATOM 1039 O HIS A 70 -3.568 -2.787 -6.102 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.210 -1.491 -3.746 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.401 -1.068 -2.320 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.798 0.212 -1.981 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.271 -1.747 -1.138 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.898 0.266 -0.643 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.588 -0.902 -0.080 1.00 0.00 N ATOM 0 H HIS A 70 -3.841 0.590 -3.754 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.204 -2.346 -3.592 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.728 -0.802 -4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.646 -2.477 -3.905 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.982 0.977 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.969 -2.779 -1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.193 1.146 -0.091 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.292 -0.619 -6.286 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.099 -0.723 -7.758 1.00 0.00 C ATOM 1055 C ASP A 71 -1.657 -1.116 -8.093 1.00 0.00 C ATOM 1056 O ASP A 71 -0.718 -0.442 -7.721 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.412 0.676 -8.278 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.924 0.900 -8.243 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.487 0.834 -7.163 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.493 1.135 -9.296 1.00 0.00 O ATOM 0 H ASP A 71 -3.236 0.326 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.733 -1.487 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.907 1.425 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.039 0.790 -9.296 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.477 -2.202 -8.798 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.097 -2.635 -9.161 1.00 0.00 C ATOM 1067 C LYS A 72 0.356 -1.931 -10.440 1.00 0.00 C ATOM 1068 O LYS A 72 1.467 -1.447 -10.535 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.197 -4.147 -9.381 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.047 -4.430 -10.622 1.00 0.00 C ATOM 1071 CD LYS A 72 -1.293 -5.934 -10.740 1.00 0.00 C ATOM 1072 CE LYS A 72 -0.808 -6.427 -12.105 1.00 0.00 C ATOM 1073 NZ LYS A 72 -0.954 -7.909 -12.053 1.00 0.00 N ATOM 0 H LYS A 72 -2.225 -2.807 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 72 0.631 -2.387 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.799 -4.573 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.641 -4.623 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.997 -3.900 -10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.540 -4.063 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.769 -6.462 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.355 -6.150 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.402 -6.000 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.228 -6.138 -12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.641 -8.321 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.372 -8.288 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.951 -8.154 -11.889 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.499 -1.860 -11.421 1.00 0.00 N ATOM 1088 CA GLY A 73 -0.123 -1.175 -12.691 1.00 0.00 C ATOM 1089 C GLY A 73 -0.085 0.332 -12.446 1.00 0.00 C ATOM 1090 O GLY A 73 -0.787 1.095 -13.080 1.00 0.00 O ATOM 0 H GLY A 73 -1.443 -2.247 -11.399 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.850 -1.526 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.843 -1.412 -13.475 1.00 0.00 H new ATOM 1094 N THR A 74 0.721 0.763 -11.516 1.00 0.00 N ATOM 1095 CA THR A 74 0.802 2.217 -11.204 1.00 0.00 C ATOM 1096 C THR A 74 2.142 2.796 -11.660 1.00 0.00 C ATOM 1097 O THR A 74 3.093 2.075 -11.888 1.00 0.00 O ATOM 1098 CB THR A 74 0.706 2.281 -9.681 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.376 1.159 -9.122 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.761 2.264 -9.251 1.00 0.00 C ATOM 0 H THR A 74 1.330 0.167 -10.956 1.00 0.00 H new ATOM 0 HA THR A 74 0.022 2.788 -11.707 1.00 0.00 H new ATOM 0 HB THR A 74 1.171 3.202 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.296 1.127 -9.458 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.822 2.310 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.276 3.124 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.233 1.346 -9.602 1.00 0.00 H new ATOM 1108 N LYS A 75 2.227 4.095 -11.777 1.00 0.00 N ATOM 1109 CA LYS A 75 3.514 4.722 -12.196 1.00 0.00 C ATOM 1110 C LYS A 75 4.675 3.978 -11.530 1.00 0.00 C ATOM 1111 O LYS A 75 5.750 3.851 -12.081 1.00 0.00 O ATOM 1112 CB LYS A 75 3.434 6.163 -11.679 1.00 0.00 C ATOM 1113 CG LYS A 75 4.217 7.092 -12.610 1.00 0.00 C ATOM 1114 CD LYS A 75 3.730 6.907 -14.049 1.00 0.00 C ATOM 1115 CE LYS A 75 4.865 6.345 -14.908 1.00 0.00 C ATOM 1116 NZ LYS A 75 5.494 7.537 -15.543 1.00 0.00 N ATOM 0 H LYS A 75 1.463 4.747 -11.601 1.00 0.00 H new ATOM 0 HA LYS A 75 3.674 4.687 -13.274 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.393 6.482 -11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.839 6.220 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.084 8.129 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.283 6.874 -12.545 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.876 6.231 -14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.392 7.861 -14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.584 5.795 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.486 5.652 -15.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.282 7.232 -16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.787 8.037 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.852 8.176 -14.804 1.00 0.00 H new ATOM 1130 N PHE A 76 4.448 3.476 -10.347 1.00 0.00 N ATOM 1131 CA PHE A 76 5.513 2.719 -9.624 1.00 0.00 C ATOM 1132 C PHE A 76 4.916 1.471 -8.986 1.00 0.00 C ATOM 1133 O PHE A 76 3.727 1.237 -9.073 1.00 0.00 O ATOM 1134 CB PHE A 76 6.010 3.666 -8.537 1.00 0.00 C ATOM 1135 CG PHE A 76 6.465 4.947 -9.176 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.676 4.996 -9.874 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.660 6.087 -9.084 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.082 6.189 -10.479 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.064 7.277 -9.690 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.273 7.329 -10.387 1.00 0.00 C ATOM 0 H PHE A 76 3.564 3.558 -9.845 1.00 0.00 H new ATOM 0 HA PHE A 76 6.315 2.401 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.215 3.865 -7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.831 3.208 -7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.296 4.114 -9.945 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.726 6.046 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.018 6.232 -11.016 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.442 8.157 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.585 8.250 -10.856 1.00 0.00 H new ATOM 1150 N LYS A 77 5.708 0.676 -8.320 1.00 0.00 N ATOM 1151 CA LYS A 77 5.122 -0.518 -7.674 1.00 0.00 C ATOM 1152 C LYS A 77 4.441 -0.079 -6.382 1.00 0.00 C ATOM 1153 O LYS A 77 5.053 0.465 -5.484 1.00 0.00 O ATOM 1154 CB LYS A 77 6.272 -1.482 -7.410 1.00 0.00 C ATOM 1155 CG LYS A 77 7.296 -0.844 -6.481 1.00 0.00 C ATOM 1156 CD LYS A 77 8.611 -1.623 -6.573 1.00 0.00 C ATOM 1157 CE LYS A 77 9.164 -1.524 -7.997 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.332 -2.936 -8.442 1.00 0.00 N ATOM 0 H LYS A 77 6.713 0.802 -8.200 1.00 0.00 H new ATOM 0 HA LYS A 77 4.373 -1.010 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.890 -2.401 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.747 -1.758 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.456 0.198 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.927 -0.849 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.334 -1.223 -5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.447 -2.667 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.479 -0.983 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.113 -0.988 -8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.708 -2.952 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.994 -3.424 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.411 -3.419 -8.420 1.00 0.00 H new ATOM 1172 N SER A 78 3.166 -0.277 -6.321 1.00 0.00 N ATOM 1173 CA SER A 78 2.374 0.155 -5.134 1.00 0.00 C ATOM 1174 C SER A 78 2.541 -0.811 -3.962 1.00 0.00 C ATOM 1175 O SER A 78 3.037 -1.910 -4.108 1.00 0.00 O ATOM 1176 CB SER A 78 0.928 0.128 -5.620 1.00 0.00 C ATOM 1177 OG SER A 78 0.071 -0.148 -4.522 1.00 0.00 O ATOM 0 H SER A 78 2.620 -0.729 -7.055 1.00 0.00 H new ATOM 0 HA SER A 78 2.694 1.132 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.665 1.085 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.805 -0.632 -6.392 1.00 0.00 H new ATOM 0 HG SER A 78 -0.327 -1.037 -4.633 1.00 0.00 H new ATOM 1183 N CYS A 79 2.113 -0.402 -2.797 1.00 0.00 N ATOM 1184 CA CYS A 79 2.224 -1.283 -1.603 1.00 0.00 C ATOM 1185 C CYS A 79 1.743 -2.690 -1.963 1.00 0.00 C ATOM 1186 O CYS A 79 2.414 -3.671 -1.717 1.00 0.00 O ATOM 1187 CB CYS A 79 1.309 -0.641 -0.560 1.00 0.00 C ATOM 1188 SG CYS A 79 1.805 1.084 -0.297 1.00 0.00 S ATOM 0 H CYS A 79 1.690 0.509 -2.623 1.00 0.00 H new ATOM 0 HA CYS A 79 3.246 -1.379 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.272 -0.685 -0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.366 -1.194 0.378 1.00 0.00 H new ATOM 1193 N VAL A 80 0.590 -2.788 -2.563 1.00 0.00 N ATOM 1194 CA VAL A 80 0.063 -4.125 -2.967 1.00 0.00 C ATOM 1195 C VAL A 80 0.688 -4.534 -4.304 1.00 0.00 C ATOM 1196 O VAL A 80 0.857 -5.704 -4.591 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.445 -3.927 -3.112 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.044 -5.091 -3.903 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.095 -3.866 -1.721 1.00 0.00 C ATOM 0 H VAL A 80 -0.013 -1.998 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 80 0.296 -4.909 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.634 -2.993 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.120 -4.947 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.588 -5.131 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.852 -6.026 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.171 -3.725 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.902 -4.797 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.674 -3.033 -1.159 1.00 0.00 H new ATOM 1209 N GLY A 81 1.040 -3.575 -5.119 1.00 0.00 N ATOM 1210 CA GLY A 81 1.663 -3.899 -6.433 1.00 0.00 C ATOM 1211 C GLY A 81 3.046 -4.507 -6.193 1.00 0.00 C ATOM 1212 O GLY A 81 3.442 -5.454 -6.845 1.00 0.00 O ATOM 0 H GLY A 81 0.922 -2.580 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.035 -4.598 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.748 -2.999 -7.041 1.00 0.00 H new ATOM 1216 N CYS A 82 3.776 -3.981 -5.247 1.00 0.00 N ATOM 1217 CA CYS A 82 5.124 -4.540 -4.946 1.00 0.00 C ATOM 1218 C CYS A 82 4.955 -5.768 -4.061 1.00 0.00 C ATOM 1219 O CYS A 82 5.791 -6.649 -4.019 1.00 0.00 O ATOM 1220 CB CYS A 82 5.861 -3.438 -4.183 1.00 0.00 C ATOM 1221 SG CYS A 82 7.645 -3.741 -4.255 1.00 0.00 S ATOM 0 H CYS A 82 3.497 -3.188 -4.670 1.00 0.00 H new ATOM 0 HA CYS A 82 5.669 -4.835 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.629 -2.465 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.527 -3.414 -3.146 1.00 0.00 H new ATOM 1226 N HIS A 83 3.866 -5.818 -3.353 1.00 0.00 N ATOM 1227 CA HIS A 83 3.599 -6.968 -2.456 1.00 0.00 C ATOM 1228 C HIS A 83 3.233 -8.204 -3.286 1.00 0.00 C ATOM 1229 O HIS A 83 3.891 -9.224 -3.213 1.00 0.00 O ATOM 1230 CB HIS A 83 2.438 -6.490 -1.586 1.00 0.00 C ATOM 1231 CG HIS A 83 2.997 -5.770 -0.391 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.295 -5.640 0.796 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.199 -5.139 -0.186 1.00 0.00 C ATOM 1234 CE1 HIS A 83 3.073 -4.960 1.655 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.243 -4.630 1.108 1.00 0.00 N ATOM 0 H HIS A 83 3.141 -5.101 -3.359 1.00 0.00 H new ATOM 0 HA HIS A 83 4.457 -7.264 -1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.786 -5.827 -2.156 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.831 -7.337 -1.267 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.358 -5.996 0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.989 -5.051 -0.917 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.785 -4.711 2.666 1.00 0.00 H new ATOM 1243 N LEU A 84 2.209 -8.123 -4.092 1.00 0.00 N ATOM 1244 CA LEU A 84 1.835 -9.286 -4.935 1.00 0.00 C ATOM 1245 C LEU A 84 3.060 -9.778 -5.708 1.00 0.00 C ATOM 1246 O LEU A 84 3.190 -10.948 -6.011 1.00 0.00 O ATOM 1247 CB LEU A 84 0.782 -8.730 -5.888 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.453 -9.625 -5.854 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.675 -8.825 -6.307 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.246 -10.819 -6.788 1.00 0.00 C ATOM 0 H LEU A 84 1.617 -7.299 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 84 1.464 -10.133 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.516 -7.713 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.182 -8.681 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.612 -9.985 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.558 -9.464 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.823 -7.977 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.517 -8.463 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.129 -11.458 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.085 -10.462 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.624 -11.389 -6.462 1.00 0.00 H new ATOM 1262 N GLU A 85 3.963 -8.890 -6.024 1.00 0.00 N ATOM 1263 CA GLU A 85 5.186 -9.297 -6.772 1.00 0.00 C ATOM 1264 C GLU A 85 6.258 -9.786 -5.792 1.00 0.00 C ATOM 1265 O GLU A 85 6.811 -10.856 -5.947 1.00 0.00 O ATOM 1266 CB GLU A 85 5.653 -8.032 -7.491 1.00 0.00 C ATOM 1267 CG GLU A 85 4.667 -7.683 -8.608 1.00 0.00 C ATOM 1268 CD GLU A 85 5.059 -6.345 -9.235 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.008 -5.744 -8.758 1.00 0.00 O ATOM 1270 OE2 GLU A 85 4.404 -5.943 -10.184 1.00 0.00 O ATOM 0 H GLU A 85 3.906 -7.898 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 85 4.994 -10.111 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.725 -7.205 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.649 -8.184 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.668 -8.466 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.654 -7.627 -8.209 1.00 0.00 H new ATOM 1277 N THR A 86 6.550 -9.011 -4.783 1.00 0.00 N ATOM 1278 CA THR A 86 7.580 -9.437 -3.793 1.00 0.00 C ATOM 1279 C THR A 86 7.172 -10.773 -3.166 1.00 0.00 C ATOM 1280 O THR A 86 7.970 -11.453 -2.553 1.00 0.00 O ATOM 1281 CB THR A 86 7.606 -8.325 -2.738 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.452 -7.274 -3.187 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.137 -8.878 -1.414 1.00 0.00 C ATOM 0 H THR A 86 6.121 -8.104 -4.602 1.00 0.00 H new ATOM 0 HA THR A 86 8.561 -9.582 -4.245 1.00 0.00 H new ATOM 0 HB THR A 86 6.596 -7.945 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.918 -6.606 -3.666 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.153 -8.083 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.489 -9.685 -1.071 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.147 -9.261 -1.559 1.00 0.00 H new ATOM 1291 N ALA A 87 5.934 -11.153 -3.320 1.00 0.00 N ATOM 1292 CA ALA A 87 5.469 -12.444 -2.739 1.00 0.00 C ATOM 1293 C ALA A 87 5.590 -13.559 -3.779 1.00 0.00 C ATOM 1294 O ALA A 87 5.872 -14.697 -3.458 1.00 0.00 O ATOM 1295 CB ALA A 87 4.005 -12.207 -2.369 1.00 0.00 C ATOM 0 H ALA A 87 5.223 -10.624 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 87 6.060 -12.749 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.588 -13.115 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.939 -11.394 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.442 -11.943 -3.264 1.00 0.00 H new ATOM 1301 N GLY A 88 5.379 -13.238 -5.024 1.00 0.00 N ATOM 1302 CA GLY A 88 5.481 -14.271 -6.091 1.00 0.00 C ATOM 1303 C GLY A 88 4.501 -15.407 -5.798 1.00 0.00 C ATOM 1304 O GLY A 88 3.403 -15.187 -5.328 1.00 0.00 O ATOM 0 H GLY A 88 5.139 -12.302 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.261 -13.828 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.499 -14.658 -6.141 1.00 0.00 H new ATOM 1308 N ALA A 89 4.889 -16.620 -6.075 1.00 0.00 N ATOM 1309 CA ALA A 89 3.980 -17.772 -5.814 1.00 0.00 C ATOM 1310 C ALA A 89 4.110 -18.232 -4.363 1.00 0.00 C ATOM 1311 O ALA A 89 4.263 -19.404 -4.083 1.00 0.00 O ATOM 1312 CB ALA A 89 4.456 -18.867 -6.759 1.00 0.00 C ATOM 0 H ALA A 89 5.797 -16.864 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 89 2.933 -17.515 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.836 -19.754 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.379 -18.518 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.494 -19.114 -6.536 1.00 0.00 H new ATOM 1318 N ASP A 90 4.048 -17.320 -3.440 1.00 0.00 N ATOM 1319 CA ASP A 90 4.162 -17.698 -2.009 1.00 0.00 C ATOM 1320 C ASP A 90 2.876 -17.321 -1.283 1.00 0.00 C ATOM 1321 O ASP A 90 2.785 -16.301 -0.631 1.00 0.00 O ATOM 1322 CB ASP A 90 5.345 -16.897 -1.480 1.00 0.00 C ATOM 1323 CG ASP A 90 5.519 -17.164 0.016 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.616 -17.735 0.605 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.552 -16.793 0.548 1.00 0.00 O ATOM 0 H ASP A 90 3.923 -16.323 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 90 4.312 -18.768 -1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.253 -17.173 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.183 -15.833 -1.653 1.00 0.00 H new ATOM 1330 N ALA A 91 1.879 -18.143 -1.408 1.00 0.00 N ATOM 1331 CA ALA A 91 0.572 -17.858 -0.744 1.00 0.00 C ATOM 1332 C ALA A 91 0.803 -17.249 0.641 1.00 0.00 C ATOM 1333 O ALA A 91 -0.006 -16.491 1.137 1.00 0.00 O ATOM 1334 CB ALA A 91 -0.116 -19.218 -0.625 1.00 0.00 C ATOM 0 H ALA A 91 1.908 -19.009 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.030 -17.145 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.087 -19.094 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.254 -19.644 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.502 -19.887 -0.026 1.00 0.00 H new ATOM 1340 N ALA A 92 1.910 -17.555 1.257 1.00 0.00 N ATOM 1341 CA ALA A 92 2.199 -16.971 2.596 1.00 0.00 C ATOM 1342 C ALA A 92 2.603 -15.515 2.409 1.00 0.00 C ATOM 1343 O ALA A 92 2.199 -14.639 3.147 1.00 0.00 O ATOM 1344 CB ALA A 92 3.364 -17.793 3.153 1.00 0.00 C ATOM 0 H ALA A 92 2.626 -18.183 0.892 1.00 0.00 H new ATOM 0 HA ALA A 92 1.344 -16.999 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.633 -17.419 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.068 -18.839 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.222 -17.707 2.486 1.00 0.00 H new ATOM 1350 N LYS A 93 3.386 -15.255 1.404 1.00 0.00 N ATOM 1351 CA LYS A 93 3.811 -13.864 1.125 1.00 0.00 C ATOM 1352 C LYS A 93 2.664 -13.113 0.449 1.00 0.00 C ATOM 1353 O LYS A 93 2.566 -11.905 0.526 1.00 0.00 O ATOM 1354 CB LYS A 93 4.993 -14.014 0.174 1.00 0.00 C ATOM 1355 CG LYS A 93 6.294 -13.983 0.972 1.00 0.00 C ATOM 1356 CD LYS A 93 7.484 -13.961 0.013 1.00 0.00 C ATOM 1357 CE LYS A 93 8.772 -14.248 0.788 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.440 -15.343 0.031 1.00 0.00 N ATOM 0 H LYS A 93 3.752 -15.955 0.759 1.00 0.00 H new ATOM 0 HA LYS A 93 4.079 -13.306 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.914 -14.951 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.986 -13.210 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.317 -13.104 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.354 -14.856 1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.346 -14.705 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.551 -12.990 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.405 -13.363 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.557 -14.550 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.332 -15.596 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.816 -16.175 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.638 -15.024 -0.939 1.00 0.00 H new ATOM 1372 N LYS A 94 1.787 -13.825 -0.204 1.00 0.00 N ATOM 1373 CA LYS A 94 0.638 -13.152 -0.873 1.00 0.00 C ATOM 1374 C LYS A 94 -0.406 -12.761 0.174 1.00 0.00 C ATOM 1375 O LYS A 94 -1.176 -11.840 -0.011 1.00 0.00 O ATOM 1376 CB LYS A 94 0.072 -14.189 -1.844 1.00 0.00 C ATOM 1377 CG LYS A 94 0.239 -13.687 -3.280 1.00 0.00 C ATOM 1378 CD LYS A 94 -1.059 -13.917 -4.055 1.00 0.00 C ATOM 1379 CE LYS A 94 -0.731 -14.417 -5.464 1.00 0.00 C ATOM 1380 NZ LYS A 94 -2.006 -14.993 -5.975 1.00 0.00 N ATOM 0 H LYS A 94 1.816 -14.840 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 94 0.932 -12.240 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.588 -15.141 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.982 -14.367 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.491 -12.627 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.063 -14.210 -3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.681 -14.645 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.631 -12.991 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.382 -13.604 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.060 -15.166 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.861 -15.357 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.310 -15.769 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.739 -14.255 -5.991 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.426 -13.452 1.282 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.407 -13.120 2.353 1.00 0.00 C ATOM 1396 C LYS A 95 -0.809 -12.066 3.287 1.00 0.00 C ATOM 1397 O LYS A 95 -1.512 -11.364 3.983 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.638 -14.436 3.098 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.493 -14.683 4.085 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.967 -14.367 5.505 1.00 0.00 C ATOM 1401 CE LYS A 95 0.207 -14.504 6.478 1.00 0.00 C ATOM 1402 NZ LYS A 95 0.215 -15.941 6.873 1.00 0.00 N ATOM 0 H LYS A 95 0.196 -14.233 1.491 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.338 -12.711 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.588 -14.401 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.702 -15.260 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.162 -15.720 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.363 -14.059 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.372 -13.356 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.771 -15.045 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.147 -14.219 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.078 -13.857 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.994 -16.113 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.689 -16.181 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.346 -16.533 6.028 1.00 0.00 H new ATOM 1416 N GLU A 96 0.490 -11.955 3.297 1.00 0.00 N ATOM 1417 CA GLU A 96 1.156 -10.951 4.173 1.00 0.00 C ATOM 1418 C GLU A 96 1.368 -9.654 3.399 1.00 0.00 C ATOM 1419 O GLU A 96 1.146 -8.567 3.893 1.00 0.00 O ATOM 1420 CB GLU A 96 2.496 -11.590 4.528 1.00 0.00 C ATOM 1421 CG GLU A 96 3.392 -11.640 3.300 1.00 0.00 C ATOM 1422 CD GLU A 96 4.770 -12.174 3.703 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.814 -13.170 4.405 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.755 -11.577 3.303 1.00 0.00 O ATOM 0 H GLU A 96 1.123 -12.521 2.732 1.00 0.00 H new ATOM 0 HA GLU A 96 0.571 -10.702 5.059 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.982 -11.019 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.337 -12.597 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.949 -12.281 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.487 -10.646 2.864 1.00 0.00 H new ATOM 1431 N LEU A 97 1.806 -9.774 2.185 1.00 0.00 N ATOM 1432 CA LEU A 97 2.051 -8.571 1.344 1.00 0.00 C ATOM 1433 C LEU A 97 0.740 -8.035 0.766 1.00 0.00 C ATOM 1434 O LEU A 97 0.312 -6.944 1.085 1.00 0.00 O ATOM 1435 CB LEU A 97 2.971 -9.067 0.234 1.00 0.00 C ATOM 1436 CG LEU A 97 4.223 -9.682 0.858 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.309 -9.792 -0.203 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.718 -8.792 2.003 1.00 0.00 C ATOM 0 H LEU A 97 2.009 -10.664 1.730 1.00 0.00 H new ATOM 0 HA LEU A 97 2.489 -7.750 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.455 -9.806 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.245 -8.242 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 97 3.987 -10.672 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.205 -10.230 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.958 -10.425 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.543 -8.800 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.611 -9.233 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.956 -7.801 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.940 -8.708 2.761 1.00 0.00 H new ATOM 1450 N THR A 98 0.103 -8.782 -0.086 1.00 0.00 N ATOM 1451 CA THR A 98 -1.174 -8.296 -0.687 1.00 0.00 C ATOM 1452 C THR A 98 -2.370 -8.657 0.193 1.00 0.00 C ATOM 1453 O THR A 98 -3.451 -8.125 0.031 1.00 0.00 O ATOM 1454 CB THR A 98 -1.273 -9.006 -2.031 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.117 -10.406 -1.840 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.175 -8.488 -2.958 1.00 0.00 C ATOM 0 H THR A 98 0.406 -9.706 -0.394 1.00 0.00 H new ATOM 0 HA THR A 98 -1.182 -7.211 -0.789 1.00 0.00 H new ATOM 0 HB THR A 98 -2.248 -8.810 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.278 -10.628 -0.899 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.243 -8.994 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.297 -7.415 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.800 -8.685 -2.513 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.195 -9.552 1.122 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.334 -9.931 1.999 1.00 0.00 C ATOM 1466 C GLY A 99 -3.996 -8.664 2.538 1.00 0.00 C ATOM 1467 O GLY A 99 -3.358 -7.815 3.126 1.00 0.00 O ATOM 0 H GLY A 99 -1.317 -10.035 1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.058 -10.524 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.983 -10.551 2.824 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.269 -8.522 2.330 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.967 -7.304 2.826 1.00 0.00 C ATOM 1473 C CYS A 100 -6.414 -7.478 4.272 1.00 0.00 C ATOM 1474 O CYS A 100 -6.025 -6.741 5.143 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.204 -7.124 1.951 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.013 -7.985 0.362 1.00 0.00 S ATOM 0 H CYS A 100 -5.859 -9.194 1.839 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.297 -6.445 2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.081 -7.507 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.377 -6.062 1.774 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.265 -8.421 4.525 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.763 -8.600 5.918 1.00 0.00 C ATOM 1483 C LYS A 101 -6.989 -9.695 6.660 1.00 0.00 C ATOM 1484 O LYS A 101 -7.444 -10.212 7.661 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.227 -9.000 5.760 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.081 -8.221 6.763 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.513 -8.761 6.744 1.00 0.00 C ATOM 1488 CE LYS A 101 -12.336 -8.062 7.827 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.706 -8.631 7.695 1.00 0.00 N ATOM 0 H LYS A 101 -7.639 -9.075 3.837 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.635 -7.691 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.563 -8.795 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.342 -10.072 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.660 -8.313 7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.078 -7.160 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.963 -8.594 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.509 -9.838 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.924 -8.250 8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.341 -6.982 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.331 -8.200 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.075 -8.431 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.670 -9.660 7.844 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.831 -10.052 6.188 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.046 -11.112 6.886 1.00 0.00 C ATOM 1505 C GLY A 102 -3.575 -11.014 6.486 1.00 0.00 C ATOM 1506 O GLY A 102 -2.919 -12.009 6.249 1.00 0.00 O ATOM 0 H GLY A 102 -5.393 -9.661 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.147 -11.001 7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.438 -12.096 6.629 1.00 0.00 H new ATOM 1510 N SER A 103 -3.051 -9.823 6.393 1.00 0.00 N ATOM 1511 CA SER A 103 -1.633 -9.665 5.993 1.00 0.00 C ATOM 1512 C SER A 103 -0.850 -8.862 7.030 1.00 0.00 C ATOM 1513 O SER A 103 -1.145 -8.878 8.208 1.00 0.00 O ATOM 1514 CB SER A 103 -1.709 -8.899 4.686 1.00 0.00 C ATOM 1515 OG SER A 103 -1.996 -7.534 4.956 1.00 0.00 O ATOM 0 H SER A 103 -3.549 -8.952 6.578 1.00 0.00 H new ATOM 0 HA SER A 103 -1.121 -10.623 5.903 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.766 -8.984 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.482 -9.325 4.046 1.00 0.00 H new ATOM 0 HG SER A 103 -2.580 -7.178 4.255 1.00 0.00 H new ATOM 1521 N LYS A 104 0.147 -8.152 6.583 1.00 0.00 N ATOM 1522 CA LYS A 104 0.970 -7.327 7.503 1.00 0.00 C ATOM 1523 C LYS A 104 0.537 -5.879 7.375 1.00 0.00 C ATOM 1524 O LYS A 104 0.698 -5.070 8.269 1.00 0.00 O ATOM 1525 CB LYS A 104 2.389 -7.482 6.974 1.00 0.00 C ATOM 1526 CG LYS A 104 2.816 -8.948 7.065 1.00 0.00 C ATOM 1527 CD LYS A 104 3.863 -9.108 8.169 1.00 0.00 C ATOM 1528 CE LYS A 104 4.651 -10.401 7.942 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.053 -11.384 8.887 1.00 0.00 N ATOM 0 H LYS A 104 0.429 -8.109 5.604 1.00 0.00 H new ATOM 0 HA LYS A 104 0.878 -7.622 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.441 -7.142 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.072 -6.858 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.951 -9.577 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.226 -9.278 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.539 -8.253 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.378 -9.132 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.564 -10.741 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.713 -10.257 8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.540 -12.298 8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.157 -11.036 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.043 -11.506 8.669 1.00 0.00 H new ATOM 1543 N CYS A 105 0.008 -5.560 6.238 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.435 -4.178 5.965 1.00 0.00 C ATOM 1545 C CYS A 105 -1.795 -3.909 6.616 1.00 0.00 C ATOM 1546 O CYS A 105 -2.145 -2.781 6.903 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.543 -4.143 4.445 1.00 0.00 C ATOM 1548 SG CYS A 105 0.263 -2.651 3.809 1.00 0.00 S ATOM 0 H CYS A 105 -0.139 -6.214 5.469 1.00 0.00 H new ATOM 0 HA CYS A 105 0.241 -3.421 6.363 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.076 -5.030 4.017 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.591 -4.158 4.145 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.564 -4.936 6.852 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.901 -4.738 7.485 1.00 0.00 C ATOM 1555 C HIS A 106 -4.015 -5.586 8.755 1.00 0.00 C ATOM 1556 O HIS A 106 -4.706 -6.586 8.785 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.907 -5.208 6.435 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.288 -4.053 5.550 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.353 -2.755 6.031 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.578 -3.972 4.203 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.656 -1.951 4.999 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.795 -2.634 3.860 1.00 0.00 N ATOM 0 H HIS A 106 -2.326 -5.904 6.635 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.071 -3.702 7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.476 -6.011 5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.794 -5.614 6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.198 -2.463 6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.629 -4.809 3.522 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.773 -0.880 5.080 1.00 0.00 H new ATOM 1570 N SER A 107 -3.342 -5.197 9.803 1.00 0.00 N ATOM 1571 CA SER A 107 -3.414 -5.982 11.069 1.00 0.00 C ATOM 1572 C SER A 107 -4.650 -5.572 11.875 1.00 0.00 C ATOM 1573 O SER A 107 -4.932 -6.229 12.864 1.00 0.00 O ATOM 1574 CB SER A 107 -2.137 -5.628 11.829 1.00 0.00 C ATOM 1575 OG SER A 107 -1.159 -5.159 10.910 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.291 -4.609 11.490 1.00 0.00 O ATOM 0 H SER A 107 -2.746 -4.370 9.838 1.00 0.00 H new ATOM 0 HA SER A 107 -3.495 -7.054 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.346 -4.864 12.578 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.763 -6.502 12.362 1.00 0.00 H new ATOM 0 HG SER A 107 -1.123 -4.180 10.942 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.224 6.618 3.373 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.685 8.089 5.043 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.326 8.990 4.549 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.771 5.170 1.704 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.119 4.259 2.262 1.00 0.00 C HETATM 1588 NA HEC A 201 9.035 8.191 4.485 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.907 8.644 5.126 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.167 9.719 6.015 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.467 9.962 5.940 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.010 9.053 4.939 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.154 10.851 6.951 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.175 10.422 6.923 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.669 11.699 6.253 1.00 0.00 C HETATM 1596 CGA HEC A 201 7.574 12.871 6.635 1.00 0.00 C HETATM 1597 O1A HEC A 201 7.803 13.719 5.788 1.00 0.00 O HETATM 1598 O2A HEC A 201 8.023 12.901 7.769 1.00 0.00 O HETATM 1599 NB HEC A 201 11.112 6.993 3.172 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.845 8.021 3.728 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.235 7.950 3.339 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.352 6.888 2.520 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.042 6.298 2.429 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.356 8.872 3.787 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.607 6.401 1.811 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.680 5.888 2.772 1.00 0.00 C HETATM 1607 NC HEC A 201 9.418 5.039 2.271 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.547 4.571 1.638 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.269 3.419 0.821 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.951 3.198 0.952 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.434 4.181 1.864 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.264 2.632 -0.016 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.108 2.173 0.233 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.631 0.738 0.308 1.00 0.00 C HETATM 1615 ND HEC A 201 7.335 6.258 3.601 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.606 5.207 3.111 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.242 5.256 3.601 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.130 6.390 4.313 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.418 6.978 4.323 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.182 4.183 3.487 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.923 6.989 5.011 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.254 5.954 5.913 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.284 6.656 6.864 1.00 0.00 C HETATM 1624 O1D HEC A 201 1.766 7.695 6.491 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.075 6.142 7.951 1.00 0.00 O HETATM 0 HMD3 HEC A 201 3.994 3.968 2.435 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.526 3.277 3.986 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.262 4.529 3.957 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.716 3.290 -0.759 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.042 2.226 0.630 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.749 1.815 -0.521 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.126 9.895 3.491 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.457 8.822 4.871 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.291 8.561 3.321 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.709 11.846 6.922 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.034 10.428 7.948 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.215 10.921 6.712 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 2.720 5.220 5.309 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 4.008 5.410 6.482 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.626 0.690 -0.135 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.682 0.423 1.350 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 7.958 0.077 -0.238 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.975 6.689 3.450 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.283 5.053 3.349 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.549 5.556 2.204 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.657 11.574 5.170 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.644 11.902 6.562 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.230 7.851 5.603 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.209 7.349 4.270 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.337 9.760 7.142 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.648 10.664 7.875 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.431 3.509 1.872 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.588 4.719 1.141 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.003 9.761 4.916 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.866 8.561 5.586 1.00 0.00 H new HETATM 1658 FE HEC A 202 2.886 8.561 -5.385 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.762 8.088 -8.513 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.919 5.236 -4.986 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.064 8.943 -2.271 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.628 11.887 -5.784 1.00 0.00 C HETATM 1663 NA HEC A 202 2.411 7.044 -6.463 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.835 7.035 -7.691 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.307 5.766 -8.017 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.671 4.932 -7.056 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.384 5.727 -6.112 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.326 3.466 -6.979 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.484 5.418 -9.219 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.618 6.435 -9.516 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.407 5.984 -10.746 1.00 0.00 C HETATM 1672 O1A HEC A 202 -0.996 5.019 -11.368 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.410 6.612 -11.046 1.00 0.00 O HETATM 1674 NB HEC A 202 3.452 7.368 -4.001 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.450 5.994 -4.012 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.887 5.427 -2.781 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.114 6.454 -1.970 1.00 0.00 C HETATM 1678 C4B HEC A 202 3.885 7.667 -2.733 1.00 0.00 C HETATM 1679 CMB HEC A 202 4.078 3.953 -2.464 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.468 6.278 -0.516 1.00 0.00 C HETATM 1681 CBB HEC A 202 5.976 6.380 -0.304 1.00 0.00 C HETATM 1682 NC HEC A 202 3.302 10.087 -4.280 1.00 0.00 N HETATM 1683 C1C HEC A 202 3.816 10.082 -3.004 1.00 0.00 C HETATM 1684 C2C HEC A 202 3.950 11.416 -2.492 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.452 12.239 -3.440 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.099 11.416 -4.571 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.555 11.810 -1.153 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.140 13.700 -3.249 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.399 14.551 -3.051 1.00 0.00 C HETATM 1690 ND HEC A 202 2.322 9.724 -6.829 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.286 11.097 -6.863 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.008 11.565 -8.218 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.906 10.462 -8.988 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.020 9.356 -8.113 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.845 12.988 -8.711 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.895 10.304 -10.499 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.146 10.924 -11.119 1.00 0.00 C HETATM 1698 CGD HEC A 202 2.793 12.275 -11.746 1.00 0.00 C HETATM 1699 O1D HEC A 202 1.742 12.363 -12.359 1.00 0.00 O HETATM 1700 O2D HEC A 202 3.579 13.197 -11.603 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.013 13.461 -8.189 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.760 13.547 -8.517 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.644 12.981 -9.782 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 3.989 11.344 -0.347 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.591 11.475 -1.109 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.519 12.894 -1.042 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 3.131 3.428 -2.588 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.819 3.528 -3.141 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.422 3.844 -1.435 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.243 3.348 -6.950 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.723 2.952 -7.854 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.762 3.036 -6.077 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.915 11.055 -10.357 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 3.558 10.257 -11.876 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 4.936 14.206 -2.168 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.042 14.458 -3.926 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.115 15.595 -2.918 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.478 5.604 -0.882 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.324 7.359 -0.632 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.204 6.249 0.754 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.283 6.528 -8.658 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.183 7.419 -9.690 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.841 9.247 -10.758 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.005 10.779 -10.912 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.138 5.338 -10.087 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 0.032 4.437 -9.069 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.519 12.966 -5.896 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.428 9.066 -1.251 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.924 4.154 -4.852 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.482 7.918 -9.553 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.969 -3.480 2.026 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.852 -6.071 4.002 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.771 -2.431 4.346 1.00 0.00 C HETATM 1736 CHC HEC A 203 5.196 -0.807 0.121 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.321 -4.399 -0.221 1.00 0.00 C HETATM 1738 NA HEC A 203 5.433 -4.109 3.790 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.881 -5.218 4.472 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.177 -5.376 5.723 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.309 -4.357 5.812 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.472 -3.575 4.618 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.341 -4.105 6.955 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.323 -6.478 6.754 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.773 -6.950 6.864 1.00 0.00 C HETATM 1746 CGA HEC A 203 7.118 -7.208 8.332 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.935 -8.331 8.774 1.00 0.00 O HETATM 1748 O2A HEC A 203 7.556 -6.280 8.990 1.00 0.00 O HETATM 1749 NB HEC A 203 4.801 -1.934 2.225 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.947 -1.648 3.255 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.223 -0.424 3.042 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.624 0.023 1.847 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.605 -0.901 1.351 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.190 0.206 3.964 1.00 0.00 C HETATM 1755 CAB HEC A 203 3.015 1.142 1.047 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.821 2.446 1.080 1.00 0.00 C HETATM 1757 NC HEC A 203 6.580 -2.790 0.314 1.00 0.00 N HETATM 1758 C1C HEC A 203 6.122 -1.688 -0.368 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.775 -1.542 -1.643 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.651 -2.562 -1.733 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.546 -3.309 -0.511 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.516 -0.453 -2.672 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.532 -2.914 -2.912 1.00 0.00 C HETATM 1764 CBC HEC A 203 9.027 -1.663 -3.639 1.00 0.00 C HETATM 1765 ND HEC A 203 7.259 -4.944 1.891 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.193 -5.168 0.905 1.00 0.00 C HETATM 1767 C2D HEC A 203 9.027 -6.304 1.218 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.578 -6.800 2.380 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.494 -5.947 2.800 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.234 -6.814 0.454 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.128 -8.017 3.103 1.00 0.00 C HETATM 1772 CBD HEC A 203 9.108 -9.249 2.195 1.00 0.00 C HETATM 1773 CGD HEC A 203 10.359 -10.093 2.450 1.00 0.00 C HETATM 1774 O1D HEC A 203 11.289 -9.572 3.041 1.00 0.00 O HETATM 1775 O2D HEC A 203 10.364 -11.244 2.049 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.936 -7.081 -0.560 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.996 -6.035 0.415 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.639 -7.692 0.957 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.474 -0.492 -2.988 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.725 0.522 -2.231 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 7.163 -0.607 -3.536 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.358 -0.484 4.104 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.648 0.422 4.929 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.823 1.132 3.521 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.665 -4.954 7.053 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.899 -3.976 7.882 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.763 -3.203 6.751 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 8.213 -9.840 2.386 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.070 -8.943 1.150 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.173 -1.094 -4.006 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.605 -1.047 -2.950 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.656 -1.956 -4.479 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.904 2.796 2.109 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.817 2.268 0.675 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 3.315 3.202 0.479 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.915 -7.860 6.281 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.444 -6.198 6.449 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.148 -7.819 3.431 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.537 -8.211 3.998 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.981 -6.118 7.724 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.685 -7.319 6.483 1.00 0.00 H new HETATM 0 HHD HEC A 203 9.095 -4.675 -0.937 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.909 0.030 -0.516 1.00 0.00 H new HETATM 0 HHB HEC A 203 3.011 -2.126 5.065 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.132 -6.912 4.637 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.712 -1.714 1.931 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.470 1.263 3.328 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.883 -2.068 0.950 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.952 -4.818 0.870 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.437 -1.086 2.395 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.337 -0.718 2.238 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.495 0.481 2.892 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.828 0.990 2.769 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.500 0.114 1.993 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.578 -0.963 1.706 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.890 0.301 1.404 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.337 2.295 3.359 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.034 3.122 2.280 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.598 4.401 2.902 1.00 0.00 C HETATM 1822 O1A HEC A 204 -11.418 4.289 3.798 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.201 5.470 2.470 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.700 -3.128 1.101 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.005 -3.090 0.660 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.324 -4.258 -0.130 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.212 -5.018 -0.111 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.225 -4.333 0.657 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.643 -4.579 -0.812 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.015 -6.437 -0.570 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.471 -6.493 -1.994 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.074 -2.715 1.655 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.937 -4.046 1.340 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.579 -4.506 1.496 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.880 -3.415 1.844 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.792 -2.317 1.916 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.073 -5.937 1.408 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.447 -3.338 2.296 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.557 -3.394 1.143 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.688 -0.227 2.629 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.321 -0.099 2.718 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.940 1.165 3.303 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.087 1.807 3.578 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.155 0.942 3.178 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.533 1.669 3.572 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.247 3.191 4.169 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.863 3.197 5.647 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.658 4.282 6.374 1.00 0.00 C HETATM 1849 O1D HEC A 204 -4.288 5.439 6.257 1.00 0.00 O HETATM 1850 O2D HEC A 204 -5.622 3.939 7.037 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.026 0.986 4.254 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -0.980 1.722 2.634 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.582 2.661 4.021 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.565 -6.544 2.168 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.295 -6.341 0.421 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -0.996 -5.953 1.572 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.434 -4.637 -0.065 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -9.880 -3.796 -1.532 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.562 -5.535 -1.329 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.611 0.440 2.210 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -10.896 1.178 0.757 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.160 -0.581 0.823 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -4.067 2.223 6.091 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.794 3.380 5.756 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.435 -4.331 0.600 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.382 -2.557 0.467 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.570 -3.334 1.540 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.173 -6.006 -2.671 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.510 -5.980 -2.037 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.341 -7.533 -2.293 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.330 3.371 1.486 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.837 2.542 1.824 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.623 3.899 3.624 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.279 3.523 4.055 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -10.030 2.089 4.174 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.507 2.860 3.782 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.375 -0.880 2.528 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.751 -5.867 0.652 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.894 -2.142 0.550 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.716 2.201 3.826 1.00 0.00 H new