USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=26 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 74 THR OG1 : rot 55:sc= 0.376! USER MOD Set 1.2: A 78 SER OG : rot 152:sc= 0.166 USER MOD Set 2.1: A 44 GLN : amide:sc= -2.61 K(o=-3,f=-6.6!) USER MOD Set 2.2: A 48 THR OG1 : rot 143:sc= -0.436 USER MOD Set 3.1: A 23 SER OG : rot 180:sc= -1.2 USER MOD Set 3.2: A 24 THR OG1 : rot 80:sc= -0.906! USER MOD Set 4.1: A 13 LYS NZ :NH3+ 148:sc=-0.00557 (180deg=0) USER MOD Set 4.2: A 45 LYS NZ :NH3+ 141:sc= -1.04 (180deg=-4.52!) 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 164:sc= -0.568 (180deg=-0.687) USER MOD Single : A 14 THR OG1 : rot 50:sc= -4.2! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -2.94 F(o=-3.7,f=-2.9) USER MOD Single : A 21 ASN : amide:sc= -7.13! C(o=-7.1!,f=-17!) 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 : amide:sc= -0.0683 K(o=-0.068,f=-1.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 132:sc= 0.459 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.31 F(o=-3.6!,f=-1.3) USER MOD Single : A 55 MET CE :methyl -168:sc= -2.02 (180deg=-2.79!) 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+ 158:sc= -0.16 (180deg=-0.437) 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 103:sc= -1.17 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -13.8! C(o=-14!,f=-28!) USER MOD Single : A 69 MET CE :methyl 158:sc= -6.98! (180deg=-7.76!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.0343 (180deg=-0.437) USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= -2.99! (180deg=-5.35!) USER MOD Single : A 86 THR OG1 : rot 92:sc= 0.532 USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.638) 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 7:sc= 0.383 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -144:sc= 0.657 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot -36:sc= 0.378 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.944 14.748 1.654 1.00 0.00 N ATOM 2 CA ALA A 1 19.632 13.337 2.026 1.00 0.00 C ATOM 3 C ALA A 1 18.551 13.302 3.110 1.00 0.00 C ATOM 4 O ALA A 1 18.737 13.828 4.189 1.00 0.00 O ATOM 5 CB ALA A 1 20.948 12.770 2.563 1.00 0.00 C ATOM 0 H1 ALA A 1 20.679 14.759 0.918 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.085 15.210 1.293 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.286 15.260 2.492 1.00 0.00 H new ATOM 0 HA ALA A 1 19.253 12.761 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.803 11.731 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.711 12.822 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.270 13.352 3.427 1.00 0.00 H new ATOM 13 N PRO A 2 17.453 12.678 2.781 1.00 0.00 N ATOM 14 CA PRO A 2 16.321 12.567 3.734 1.00 0.00 C ATOM 15 C PRO A 2 16.653 11.593 4.864 1.00 0.00 C ATOM 16 O PRO A 2 17.363 10.625 4.675 1.00 0.00 O ATOM 17 CB PRO A 2 15.183 12.016 2.878 1.00 0.00 C ATOM 18 CG PRO A 2 15.858 11.313 1.745 1.00 0.00 C ATOM 19 CD PRO A 2 17.163 12.024 1.500 1.00 0.00 C ATOM 0 HA PRO A 2 16.079 13.517 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.555 11.332 3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.537 12.816 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.030 10.265 1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.234 11.334 0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.952 11.326 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.077 12.750 0.691 1.00 0.00 H new ATOM 27 N LYS A 3 16.132 11.833 6.034 1.00 0.00 N ATOM 28 CA LYS A 3 16.404 10.911 7.168 1.00 0.00 C ATOM 29 C LYS A 3 15.185 10.031 7.418 1.00 0.00 C ATOM 30 O LYS A 3 14.332 10.338 8.227 1.00 0.00 O ATOM 31 CB LYS A 3 16.658 11.798 8.373 1.00 0.00 C ATOM 32 CG LYS A 3 17.664 12.891 8.010 1.00 0.00 C ATOM 33 CD LYS A 3 17.590 14.018 9.043 1.00 0.00 C ATOM 34 CE LYS A 3 18.991 14.305 9.589 1.00 0.00 C ATOM 35 NZ LYS A 3 18.859 14.192 11.068 1.00 0.00 N ATOM 0 H LYS A 3 15.530 12.627 6.253 1.00 0.00 H new ATOM 0 HA LYS A 3 17.253 10.258 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.723 12.248 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.039 11.201 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.672 12.477 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.450 13.281 7.015 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.175 14.917 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.922 13.736 9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.719 13.592 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.332 15.298 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 19.780 14.376 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.165 14.887 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.540 13.234 11.316 1.00 0.00 H new ATOM 49 N ALA A 4 15.103 8.944 6.723 1.00 0.00 N ATOM 50 CA ALA A 4 13.942 8.023 6.898 1.00 0.00 C ATOM 51 C ALA A 4 13.581 7.909 8.380 1.00 0.00 C ATOM 52 O ALA A 4 14.448 7.854 9.229 1.00 0.00 O ATOM 53 CB ALA A 4 14.416 6.675 6.355 1.00 0.00 C ATOM 0 H ALA A 4 15.792 8.644 6.033 1.00 0.00 H new ATOM 0 HA ALA A 4 13.051 8.378 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.614 5.942 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.689 6.781 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.283 6.339 6.923 1.00 0.00 H new ATOM 59 N PRO A 5 12.304 7.880 8.640 1.00 0.00 N ATOM 60 CA PRO A 5 11.815 7.773 10.026 1.00 0.00 C ATOM 61 C PRO A 5 11.906 6.332 10.520 1.00 0.00 C ATOM 62 O PRO A 5 12.024 5.402 9.747 1.00 0.00 O ATOM 63 CB PRO A 5 10.370 8.250 9.938 1.00 0.00 C ATOM 64 CG PRO A 5 9.954 8.041 8.511 1.00 0.00 C ATOM 65 CD PRO A 5 11.209 7.940 7.670 1.00 0.00 C ATOM 0 HA PRO A 5 12.400 8.360 10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.731 7.687 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.287 9.300 10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.357 7.134 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.332 8.868 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.191 7.052 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.313 8.800 7.009 1.00 0.00 H new ATOM 73 N ALA A 6 11.860 6.144 11.806 1.00 0.00 N ATOM 74 CA ALA A 6 11.954 4.773 12.365 1.00 0.00 C ATOM 75 C ALA A 6 10.833 3.898 11.812 1.00 0.00 C ATOM 76 O ALA A 6 9.949 4.360 11.118 1.00 0.00 O ATOM 77 CB ALA A 6 11.802 4.950 13.876 1.00 0.00 C ATOM 0 H ALA A 6 11.761 6.887 12.498 1.00 0.00 H new ATOM 0 HA ALA A 6 12.893 4.285 12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.861 3.977 14.364 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.600 5.592 14.249 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.837 5.407 14.093 1.00 0.00 H new ATOM 83 N ASP A 7 10.864 2.639 12.123 1.00 0.00 N ATOM 84 CA ASP A 7 9.809 1.720 11.634 1.00 0.00 C ATOM 85 C ASP A 7 8.573 1.848 12.520 1.00 0.00 C ATOM 86 O ASP A 7 8.640 2.318 13.638 1.00 0.00 O ATOM 87 CB ASP A 7 10.413 0.322 11.766 1.00 0.00 C ATOM 88 CG ASP A 7 11.855 0.336 11.253 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.072 0.845 10.166 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.716 -0.164 11.958 1.00 0.00 O ATOM 0 H ASP A 7 11.582 2.203 12.701 1.00 0.00 H new ATOM 0 HA ASP A 7 9.504 1.936 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.390 0.002 12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.821 -0.396 11.198 1.00 0.00 H new ATOM 95 N GLY A 8 7.450 1.426 12.031 1.00 0.00 N ATOM 96 CA GLY A 8 6.206 1.508 12.841 1.00 0.00 C ATOM 97 C GLY A 8 5.404 2.752 12.454 1.00 0.00 C ATOM 98 O GLY A 8 4.591 3.234 13.217 1.00 0.00 O ATOM 0 H GLY A 8 7.335 1.025 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.602 0.614 12.685 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.456 1.543 13.901 1.00 0.00 H new ATOM 102 N LEU A 9 5.606 3.272 11.273 1.00 0.00 N ATOM 103 CA LEU A 9 4.825 4.473 10.863 1.00 0.00 C ATOM 104 C LEU A 9 3.368 4.080 10.684 1.00 0.00 C ATOM 105 O LEU A 9 3.042 3.218 9.894 1.00 0.00 O ATOM 106 CB LEU A 9 5.422 4.937 9.538 1.00 0.00 C ATOM 107 CG LEU A 9 5.611 6.453 9.586 1.00 0.00 C ATOM 108 CD1 LEU A 9 6.824 6.838 8.741 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.365 7.152 9.032 1.00 0.00 C ATOM 0 H LEU A 9 6.270 2.922 10.582 1.00 0.00 H new ATOM 0 HA LEU A 9 4.870 5.268 11.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.377 4.443 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.765 4.665 8.712 1.00 0.00 H new ATOM 0 HG LEU A 9 5.767 6.763 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.962 7.919 8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.713 6.347 9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.664 6.523 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.507 8.232 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.203 6.843 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.497 6.879 9.633 1.00 0.00 H new ATOM 121 N LYS A 10 2.490 4.688 11.419 1.00 0.00 N ATOM 122 CA LYS A 10 1.054 4.321 11.295 1.00 0.00 C ATOM 123 C LYS A 10 0.318 5.283 10.368 1.00 0.00 C ATOM 124 O LYS A 10 0.089 6.431 10.693 1.00 0.00 O ATOM 125 CB LYS A 10 0.488 4.416 12.707 1.00 0.00 C ATOM 126 CG LYS A 10 0.525 3.036 13.365 1.00 0.00 C ATOM 127 CD LYS A 10 -0.304 3.060 14.650 1.00 0.00 C ATOM 128 CE LYS A 10 -0.042 1.783 15.451 1.00 0.00 C ATOM 129 NZ LYS A 10 0.062 2.231 16.866 1.00 0.00 N ATOM 0 H LYS A 10 2.699 5.420 12.098 1.00 0.00 H new ATOM 0 HA LYS A 10 0.936 3.325 10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.068 5.127 13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.536 4.788 12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.132 2.284 12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.554 2.756 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.045 3.935 15.246 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.364 3.140 14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.851 1.064 15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.875 1.293 15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.242 1.409 17.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.845 2.910 16.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.828 2.688 17.152 1.00 0.00 H new ATOM 143 N MET A 11 -0.083 4.808 9.227 1.00 0.00 N ATOM 144 CA MET A 11 -0.839 5.672 8.283 1.00 0.00 C ATOM 145 C MET A 11 -2.323 5.541 8.599 1.00 0.00 C ATOM 146 O MET A 11 -2.930 4.526 8.337 1.00 0.00 O ATOM 147 CB MET A 11 -0.530 5.122 6.892 1.00 0.00 C ATOM 148 CG MET A 11 0.182 6.197 6.073 1.00 0.00 C ATOM 149 SD MET A 11 -0.863 7.671 5.969 1.00 0.00 S ATOM 150 CE MET A 11 0.471 8.888 5.863 1.00 0.00 C ATOM 0 H MET A 11 0.081 3.854 8.905 1.00 0.00 H new ATOM 0 HA MET A 11 -0.569 6.726 8.353 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.096 4.233 6.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.452 4.820 6.394 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.137 6.448 6.535 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.400 5.822 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.070 9.838 5.509 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.916 9.026 6.848 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.232 8.534 5.167 1.00 0.00 H new ATOM 160 N ASP A 12 -2.905 6.543 9.185 1.00 0.00 N ATOM 161 CA ASP A 12 -4.352 6.446 9.542 1.00 0.00 C ATOM 162 C ASP A 12 -5.195 7.378 8.679 1.00 0.00 C ATOM 163 O ASP A 12 -6.324 7.688 9.002 1.00 0.00 O ATOM 164 CB ASP A 12 -4.428 6.861 11.006 1.00 0.00 C ATOM 165 CG ASP A 12 -3.493 8.045 11.262 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.568 9.006 10.515 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.718 7.969 12.202 1.00 0.00 O ATOM 0 H ASP A 12 -2.450 7.422 9.433 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.740 5.441 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.452 7.133 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.151 6.023 11.645 1.00 0.00 H new ATOM 172 N LYS A 13 -4.663 7.817 7.582 1.00 0.00 N ATOM 173 CA LYS A 13 -5.442 8.717 6.696 1.00 0.00 C ATOM 174 C LYS A 13 -6.826 8.118 6.437 1.00 0.00 C ATOM 175 O LYS A 13 -7.793 8.822 6.221 1.00 0.00 O ATOM 176 CB LYS A 13 -4.630 8.778 5.409 1.00 0.00 C ATOM 177 CG LYS A 13 -3.468 9.755 5.591 1.00 0.00 C ATOM 178 CD LYS A 13 -4.016 11.155 5.873 1.00 0.00 C ATOM 179 CE LYS A 13 -2.863 12.162 5.893 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.488 12.294 7.329 1.00 0.00 N ATOM 0 H LYS A 13 -3.722 7.593 7.258 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.601 9.706 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.251 7.787 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.263 9.098 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.831 9.430 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.848 9.770 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.742 11.433 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.539 11.166 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.021 11.810 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.170 13.121 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.468 12.483 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.018 13.080 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.715 11.411 7.830 1.00 0.00 H new ATOM 194 N THR A 14 -6.923 6.818 6.459 1.00 0.00 N ATOM 195 CA THR A 14 -8.243 6.156 6.218 1.00 0.00 C ATOM 196 C THR A 14 -8.697 5.393 7.466 1.00 0.00 C ATOM 197 O THR A 14 -8.027 5.385 8.480 1.00 0.00 O ATOM 198 CB THR A 14 -8.002 5.188 5.062 1.00 0.00 C ATOM 199 OG1 THR A 14 -6.814 4.450 5.302 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.863 5.975 3.763 1.00 0.00 C ATOM 0 H THR A 14 -6.146 6.181 6.634 1.00 0.00 H new ATOM 0 HA THR A 14 -9.024 6.881 5.988 1.00 0.00 H new ATOM 0 HB THR A 14 -8.844 4.500 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.840 4.073 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.691 5.286 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.777 6.540 3.580 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.021 6.663 3.843 1.00 0.00 H new ATOM 208 N LYS A 15 -9.831 4.749 7.395 1.00 0.00 N ATOM 209 CA LYS A 15 -10.331 3.980 8.570 1.00 0.00 C ATOM 210 C LYS A 15 -9.444 2.755 8.805 1.00 0.00 C ATOM 211 O LYS A 15 -9.385 2.216 9.892 1.00 0.00 O ATOM 212 CB LYS A 15 -11.747 3.551 8.189 1.00 0.00 C ATOM 213 CG LYS A 15 -12.759 4.505 8.828 1.00 0.00 C ATOM 214 CD LYS A 15 -13.575 5.195 7.733 1.00 0.00 C ATOM 215 CE LYS A 15 -14.534 6.205 8.367 1.00 0.00 C ATOM 216 NZ LYS A 15 -13.806 7.503 8.327 1.00 0.00 N ATOM 0 H LYS A 15 -10.433 4.723 6.572 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.319 4.567 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.861 3.556 7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.932 2.530 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.421 3.955 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.241 5.249 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.909 5.700 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.136 4.455 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.471 6.261 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.784 5.924 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.400 8.247 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.921 7.422 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.587 7.748 7.340 1.00 0.00 H new ATOM 230 N GLN A 16 -8.752 2.320 7.791 1.00 0.00 N ATOM 231 CA GLN A 16 -7.860 1.135 7.946 1.00 0.00 C ATOM 232 C GLN A 16 -6.403 1.598 8.026 1.00 0.00 C ATOM 233 O GLN A 16 -5.696 1.598 7.039 1.00 0.00 O ATOM 234 CB GLN A 16 -8.090 0.296 6.689 1.00 0.00 C ATOM 235 CG GLN A 16 -9.390 -0.497 6.836 1.00 0.00 C ATOM 236 CD GLN A 16 -10.436 0.052 5.863 1.00 0.00 C ATOM 237 OE1 GLN A 16 -10.654 -0.572 4.738 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -11.061 1.059 6.130 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.764 2.734 6.859 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.071 0.567 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.143 0.942 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.252 -0.384 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.209 -1.553 6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.758 -0.426 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.891 1.547 7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.756 1.417 5.475 1.00 0.00 H new ATOM 247 N PRO A 17 -6.008 1.987 9.208 1.00 0.00 N ATOM 248 CA PRO A 17 -4.623 2.474 9.434 1.00 0.00 C ATOM 249 C PRO A 17 -3.607 1.339 9.276 1.00 0.00 C ATOM 250 O PRO A 17 -3.784 0.255 9.795 1.00 0.00 O ATOM 251 CB PRO A 17 -4.656 2.989 10.871 1.00 0.00 C ATOM 252 CG PRO A 17 -5.779 2.244 11.516 1.00 0.00 C ATOM 253 CD PRO A 17 -6.804 2.009 10.438 1.00 0.00 C ATOM 0 HA PRO A 17 -4.320 3.238 8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.711 2.800 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.826 4.065 10.902 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.430 1.299 11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.205 2.818 12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.336 1.070 10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.553 2.800 10.417 1.00 0.00 H new ATOM 261 N VAL A 18 -2.542 1.586 8.561 1.00 0.00 N ATOM 262 CA VAL A 18 -1.511 0.535 8.361 1.00 0.00 C ATOM 263 C VAL A 18 -0.153 1.022 8.879 1.00 0.00 C ATOM 264 O VAL A 18 0.258 2.135 8.621 1.00 0.00 O ATOM 265 CB VAL A 18 -1.462 0.331 6.849 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.191 -0.429 6.483 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.685 -0.471 6.401 1.00 0.00 C ATOM 0 H VAL A 18 -2.344 2.477 8.106 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.743 -0.386 8.896 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.464 1.300 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.153 -0.576 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.680 0.144 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.190 -1.398 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.649 -0.616 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.686 -1.441 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.593 0.072 6.664 1.00 0.00 H new ATOM 277 N VAL A 19 0.546 0.194 9.607 1.00 0.00 N ATOM 278 CA VAL A 19 1.877 0.609 10.142 1.00 0.00 C ATOM 279 C VAL A 19 2.979 0.291 9.124 1.00 0.00 C ATOM 280 O VAL A 19 3.280 -0.859 8.870 1.00 0.00 O ATOM 281 CB VAL A 19 2.072 -0.230 11.404 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.489 -0.022 11.944 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.056 0.196 12.466 1.00 0.00 C ATOM 0 H VAL A 19 0.254 -0.751 9.855 1.00 0.00 H new ATOM 0 HA VAL A 19 1.924 1.679 10.345 1.00 0.00 H new ATOM 0 HB VAL A 19 1.925 -1.283 11.163 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.627 -0.621 12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.214 -0.328 11.190 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.636 1.031 12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.197 -0.404 13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.200 1.249 12.706 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.046 0.046 12.084 1.00 0.00 H new ATOM 293 N PHE A 20 3.592 1.290 8.543 1.00 0.00 N ATOM 294 CA PHE A 20 4.675 1.005 7.556 1.00 0.00 C ATOM 295 C PHE A 20 6.028 0.920 8.263 1.00 0.00 C ATOM 296 O PHE A 20 6.458 1.852 8.914 1.00 0.00 O ATOM 297 CB PHE A 20 4.675 2.177 6.574 1.00 0.00 C ATOM 298 CG PHE A 20 5.756 1.943 5.544 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.692 0.824 4.705 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.827 2.836 5.433 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.699 0.599 3.759 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.833 2.612 4.486 1.00 0.00 C ATOM 303 CZ PHE A 20 7.769 1.494 3.650 1.00 0.00 C ATOM 0 H PHE A 20 3.393 2.277 8.706 1.00 0.00 H new ATOM 0 HA PHE A 20 4.507 0.055 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.703 2.264 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.853 3.114 7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.865 0.134 4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.878 3.700 6.079 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.650 -0.265 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.659 3.303 4.401 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.546 1.321 2.920 1.00 0.00 H new ATOM 313 N ASN A 21 6.704 -0.185 8.137 1.00 0.00 N ATOM 314 CA ASN A 21 8.024 -0.329 8.792 1.00 0.00 C ATOM 315 C ASN A 21 9.137 -0.086 7.768 1.00 0.00 C ATOM 316 O ASN A 21 9.504 -0.970 7.020 1.00 0.00 O ATOM 317 CB ASN A 21 8.046 -1.774 9.273 1.00 0.00 C ATOM 318 CG ASN A 21 8.086 -1.817 10.801 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.828 -0.828 11.455 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.396 -2.932 11.402 1.00 0.00 N ATOM 0 H ASN A 21 6.394 -0.998 7.604 1.00 0.00 H new ATOM 0 HA ASN A 21 8.178 0.380 9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.163 -2.300 8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.915 -2.289 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.421 -2.972 12.421 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.613 -3.764 10.853 1.00 0.00 H new ATOM 327 N HIS A 22 9.673 1.102 7.722 1.00 0.00 N ATOM 328 CA HIS A 22 10.755 1.386 6.737 1.00 0.00 C ATOM 329 C HIS A 22 11.821 0.293 6.812 1.00 0.00 C ATOM 330 O HIS A 22 12.415 -0.077 5.819 1.00 0.00 O ATOM 331 CB HIS A 22 11.341 2.732 7.162 1.00 0.00 C ATOM 332 CG HIS A 22 10.565 3.857 6.528 1.00 0.00 C ATOM 333 ND1 HIS A 22 9.737 4.685 7.269 1.00 0.00 N ATOM 334 CD2 HIS A 22 10.510 4.330 5.237 1.00 0.00 C ATOM 335 CE1 HIS A 22 9.230 5.608 6.432 1.00 0.00 C ATOM 336 NE2 HIS A 22 9.670 5.439 5.184 1.00 0.00 N ATOM 0 H HIS A 22 9.411 1.885 8.320 1.00 0.00 H new ATOM 0 HA HIS A 22 10.387 1.412 5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.310 2.825 8.248 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.389 2.791 6.867 1.00 0.00 H new ATOM 0 HD1 HIS A 22 9.546 4.608 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.037 3.906 4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.550 6.391 6.734 1.00 0.00 H new ATOM 344 N SER A 23 12.064 -0.233 7.981 1.00 0.00 N ATOM 345 CA SER A 23 13.087 -1.308 8.115 1.00 0.00 C ATOM 346 C SER A 23 12.834 -2.396 7.071 1.00 0.00 C ATOM 347 O SER A 23 13.747 -2.887 6.437 1.00 0.00 O ATOM 348 CB SER A 23 12.899 -1.863 9.526 1.00 0.00 C ATOM 349 OG SER A 23 11.509 -1.963 9.809 1.00 0.00 O ATOM 0 H SER A 23 11.599 0.035 8.848 1.00 0.00 H new ATOM 0 HA SER A 23 14.101 -0.940 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.371 -2.842 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.384 -1.212 10.253 1.00 0.00 H new ATOM 0 HG SER A 23 11.384 -2.320 10.713 1.00 0.00 H new ATOM 355 N THR A 24 11.598 -2.768 6.880 1.00 0.00 N ATOM 356 CA THR A 24 11.283 -3.816 5.869 1.00 0.00 C ATOM 357 C THR A 24 11.416 -3.231 4.464 1.00 0.00 C ATOM 358 O THR A 24 11.329 -3.933 3.474 1.00 0.00 O ATOM 359 CB THR A 24 9.834 -4.221 6.148 1.00 0.00 C ATOM 360 OG1 THR A 24 9.362 -3.534 7.298 1.00 0.00 O ATOM 361 CG2 THR A 24 9.762 -5.730 6.390 1.00 0.00 C ATOM 0 H THR A 24 10.793 -2.391 7.380 1.00 0.00 H new ATOM 0 HA THR A 24 11.957 -4.670 5.930 1.00 0.00 H new ATOM 0 HB THR A 24 9.214 -3.961 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.101 -2.622 7.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.730 -6.018 6.589 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.122 -6.258 5.507 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.383 -5.991 7.247 1.00 0.00 H new ATOM 369 N HIS A 25 11.615 -1.945 4.370 1.00 0.00 N ATOM 370 CA HIS A 25 11.742 -1.303 3.041 1.00 0.00 C ATOM 371 C HIS A 25 13.102 -0.614 2.907 1.00 0.00 C ATOM 372 O HIS A 25 13.461 -0.131 1.852 1.00 0.00 O ATOM 373 CB HIS A 25 10.602 -0.297 3.021 1.00 0.00 C ATOM 374 CG HIS A 25 9.318 -1.041 3.248 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.839 -1.313 4.521 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.430 -1.620 2.381 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.710 -2.028 4.383 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.417 -2.245 3.100 1.00 0.00 N ATOM 0 H HIS A 25 11.695 -1.311 5.165 1.00 0.00 H new ATOM 0 HA HIS A 25 11.687 -2.009 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.747 0.457 3.795 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.574 0.227 2.066 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.266 -1.023 5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.505 -1.595 1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.113 -2.384 5.210 1.00 0.00 H new ATOM 386 N LYS A 26 13.866 -0.576 3.963 1.00 0.00 N ATOM 387 CA LYS A 26 15.206 0.070 3.883 1.00 0.00 C ATOM 388 C LYS A 26 15.989 -0.531 2.715 1.00 0.00 C ATOM 389 O LYS A 26 16.861 0.097 2.146 1.00 0.00 O ATOM 390 CB LYS A 26 15.886 -0.251 5.216 1.00 0.00 C ATOM 391 CG LYS A 26 16.329 -1.715 5.231 1.00 0.00 C ATOM 392 CD LYS A 26 17.230 -1.964 6.442 1.00 0.00 C ATOM 393 CE LYS A 26 18.457 -1.051 6.362 1.00 0.00 C ATOM 394 NZ LYS A 26 19.593 -1.894 6.831 1.00 0.00 N ATOM 0 H LYS A 26 13.622 -0.963 4.875 1.00 0.00 H new ATOM 0 HA LYS A 26 15.147 1.146 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.747 0.401 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.199 -0.061 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.458 -2.369 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.864 -1.954 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.680 -1.772 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.542 -3.008 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.621 -0.698 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.334 -0.168 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.472 -1.338 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.412 -2.210 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.690 -2.723 6.210 1.00 0.00 H new ATOM 408 N ALA A 27 15.675 -1.744 2.347 1.00 0.00 N ATOM 409 CA ALA A 27 16.387 -2.391 1.208 1.00 0.00 C ATOM 410 C ALA A 27 15.644 -2.095 -0.097 1.00 0.00 C ATOM 411 O ALA A 27 16.095 -2.436 -1.172 1.00 0.00 O ATOM 412 CB ALA A 27 16.358 -3.888 1.518 1.00 0.00 C ATOM 0 H ALA A 27 14.954 -2.316 2.787 1.00 0.00 H new ATOM 0 HA ALA A 27 17.407 -2.026 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.865 -4.434 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.865 -4.073 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.324 -4.225 1.588 1.00 0.00 H new ATOM 418 N VAL A 28 14.512 -1.452 -0.007 1.00 0.00 N ATOM 419 CA VAL A 28 13.739 -1.118 -1.235 1.00 0.00 C ATOM 420 C VAL A 28 14.309 0.148 -1.858 1.00 0.00 C ATOM 421 O VAL A 28 15.210 0.760 -1.320 1.00 0.00 O ATOM 422 CB VAL A 28 12.308 -0.885 -0.753 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.468 -0.286 -1.880 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.692 -2.215 -0.317 1.00 0.00 C ATOM 0 H VAL A 28 14.088 -1.143 0.868 1.00 0.00 H new ATOM 0 HA VAL A 28 13.783 -1.903 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 28 12.326 -0.194 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.449 -0.123 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.901 0.665 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.454 -0.972 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.671 -2.048 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.682 -2.905 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.283 -2.641 0.494 1.00 0.00 H new ATOM 434 N LYS A 29 13.797 0.558 -2.979 1.00 0.00 N ATOM 435 CA LYS A 29 14.329 1.793 -3.601 1.00 0.00 C ATOM 436 C LYS A 29 13.562 3.000 -3.087 1.00 0.00 C ATOM 437 O LYS A 29 12.438 3.252 -3.468 1.00 0.00 O ATOM 438 CB LYS A 29 14.119 1.639 -5.095 1.00 0.00 C ATOM 439 CG LYS A 29 15.477 1.618 -5.793 1.00 0.00 C ATOM 440 CD LYS A 29 16.001 0.181 -5.852 1.00 0.00 C ATOM 441 CE LYS A 29 17.457 0.147 -5.384 1.00 0.00 C ATOM 442 NZ LYS A 29 18.263 0.167 -6.637 1.00 0.00 N ATOM 0 H LYS A 29 13.042 0.097 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 29 15.382 1.941 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.575 0.718 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.513 2.461 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.386 2.024 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.183 2.252 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.391 -0.466 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.926 -0.203 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.689 1.004 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.662 -0.748 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.275 0.146 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.026 -0.664 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.051 1.033 -7.172 1.00 0.00 H new ATOM 456 N CYS A 30 14.172 3.746 -2.229 1.00 0.00 N ATOM 457 CA CYS A 30 13.494 4.956 -1.682 1.00 0.00 C ATOM 458 C CYS A 30 12.832 5.725 -2.827 1.00 0.00 C ATOM 459 O CYS A 30 11.894 6.472 -2.630 1.00 0.00 O ATOM 460 CB CYS A 30 14.607 5.792 -1.047 1.00 0.00 C ATOM 461 SG CYS A 30 14.964 5.164 0.612 1.00 0.00 S ATOM 0 H CYS A 30 15.114 3.578 -1.876 1.00 0.00 H new ATOM 0 HA CYS A 30 12.718 4.710 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.505 5.750 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.305 6.838 -0.994 1.00 0.00 H new ATOM 466 N GLY A 31 13.319 5.540 -4.024 1.00 0.00 N ATOM 467 CA GLY A 31 12.730 6.251 -5.192 1.00 0.00 C ATOM 468 C GLY A 31 11.588 5.419 -5.782 1.00 0.00 C ATOM 469 O GLY A 31 10.797 5.905 -6.562 1.00 0.00 O ATOM 0 H GLY A 31 14.102 4.925 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.359 7.229 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.495 6.423 -5.949 1.00 0.00 H new ATOM 473 N ASP A 32 11.481 4.172 -5.413 1.00 0.00 N ATOM 474 CA ASP A 32 10.374 3.341 -5.956 1.00 0.00 C ATOM 475 C ASP A 32 9.094 3.671 -5.189 1.00 0.00 C ATOM 476 O ASP A 32 8.000 3.583 -5.708 1.00 0.00 O ATOM 477 CB ASP A 32 10.811 1.896 -5.732 1.00 0.00 C ATOM 478 CG ASP A 32 10.694 1.124 -7.047 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.732 1.348 -7.761 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.574 0.324 -7.318 1.00 0.00 O ATOM 0 H ASP A 32 12.108 3.697 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 32 10.173 3.520 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.839 1.867 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.190 1.430 -4.967 1.00 0.00 H new ATOM 485 N CYS A 33 9.237 4.089 -3.961 1.00 0.00 N ATOM 486 CA CYS A 33 8.048 4.476 -3.154 1.00 0.00 C ATOM 487 C CYS A 33 7.884 5.995 -3.249 1.00 0.00 C ATOM 488 O CYS A 33 6.872 6.498 -3.694 1.00 0.00 O ATOM 489 CB CYS A 33 8.378 4.055 -1.722 1.00 0.00 C ATOM 490 SG CYS A 33 8.156 2.268 -1.545 1.00 0.00 S ATOM 0 H CYS A 33 10.132 4.179 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 33 7.123 4.010 -3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.405 4.329 -1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.733 4.583 -1.020 1.00 0.00 H new ATOM 495 N HIS A 34 8.900 6.726 -2.864 1.00 0.00 N ATOM 496 CA HIS A 34 8.838 8.210 -2.966 1.00 0.00 C ATOM 497 C HIS A 34 9.334 8.626 -4.350 1.00 0.00 C ATOM 498 O HIS A 34 10.045 9.598 -4.494 1.00 0.00 O ATOM 499 CB HIS A 34 9.801 8.737 -1.901 1.00 0.00 C ATOM 500 CG HIS A 34 9.254 8.486 -0.523 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.115 9.118 -0.047 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.698 7.694 0.506 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.921 8.703 1.219 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.858 7.835 1.603 1.00 0.00 N ATOM 0 H HIS A 34 9.770 6.355 -2.483 1.00 0.00 H new ATOM 0 HA HIS A 34 7.828 8.595 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.771 8.251 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.962 9.805 -2.045 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.531 9.777 -0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.569 7.057 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.106 9.033 1.847 1.00 0.00 H new ATOM 512 N HIS A 35 8.987 7.875 -5.362 1.00 0.00 N ATOM 513 CA HIS A 35 9.456 8.199 -6.741 1.00 0.00 C ATOM 514 C HIS A 35 9.627 9.710 -6.922 1.00 0.00 C ATOM 515 O HIS A 35 9.051 10.495 -6.196 1.00 0.00 O ATOM 516 CB HIS A 35 8.375 7.655 -7.670 1.00 0.00 C ATOM 517 CG HIS A 35 7.031 8.131 -7.219 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.534 9.342 -7.631 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.063 7.574 -6.413 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.318 9.493 -7.087 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.975 8.442 -6.333 1.00 0.00 N ATOM 0 H HIS A 35 8.396 7.047 -5.292 1.00 0.00 H new ATOM 0 HA HIS A 35 10.430 7.758 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.563 7.983 -8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.402 6.565 -7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.006 10.009 -8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.135 6.616 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.691 10.359 -7.239 1.00 0.00 H new ATOM 529 N PRO A 36 10.435 10.057 -7.885 1.00 0.00 N ATOM 530 CA PRO A 36 10.726 11.486 -8.169 1.00 0.00 C ATOM 531 C PRO A 36 9.477 12.229 -8.640 1.00 0.00 C ATOM 532 O PRO A 36 9.101 12.174 -9.794 1.00 0.00 O ATOM 533 CB PRO A 36 11.786 11.422 -9.269 1.00 0.00 C ATOM 534 CG PRO A 36 11.583 10.090 -9.910 1.00 0.00 C ATOM 535 CD PRO A 36 11.138 9.163 -8.810 1.00 0.00 C ATOM 0 HA PRO A 36 11.063 12.031 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.660 12.231 -9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.791 11.515 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.833 10.147 -10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.505 9.734 -10.371 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.484 8.377 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.984 8.671 -8.330 1.00 0.00 H new ATOM 543 N VAL A 37 8.841 12.939 -7.748 1.00 0.00 N ATOM 544 CA VAL A 37 7.627 13.708 -8.128 1.00 0.00 C ATOM 545 C VAL A 37 8.033 15.125 -8.536 1.00 0.00 C ATOM 546 O VAL A 37 9.012 15.660 -8.057 1.00 0.00 O ATOM 547 CB VAL A 37 6.762 13.733 -6.866 1.00 0.00 C ATOM 548 CG1 VAL A 37 5.760 14.886 -6.952 1.00 0.00 C ATOM 549 CG2 VAL A 37 6.005 12.410 -6.742 1.00 0.00 C ATOM 0 H VAL A 37 9.113 13.018 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 37 7.092 13.268 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 37 7.400 13.872 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.145 14.902 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.298 15.830 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.122 14.749 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.388 12.426 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.369 12.272 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.718 11.588 -6.678 1.00 0.00 H new ATOM 559 N ASN A 38 7.294 15.738 -9.416 1.00 0.00 N ATOM 560 CA ASN A 38 7.648 17.114 -9.846 1.00 0.00 C ATOM 561 C ASN A 38 9.059 17.111 -10.432 1.00 0.00 C ATOM 562 O ASN A 38 9.252 16.981 -11.625 1.00 0.00 O ATOM 563 CB ASN A 38 7.610 17.928 -8.558 1.00 0.00 C ATOM 564 CG ASN A 38 7.526 19.419 -8.889 1.00 0.00 C ATOM 565 OD1 ASN A 38 8.307 19.925 -9.669 1.00 0.00 O ATOM 566 ND2 ASN A 38 6.605 20.150 -8.322 1.00 0.00 N ATOM 0 H ASN A 38 6.461 15.345 -9.855 1.00 0.00 H new ATOM 0 HA ASN A 38 6.979 17.514 -10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.752 17.631 -7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.502 17.728 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.542 21.146 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.949 19.726 -7.667 1.00 0.00 H new ATOM 573 N GLY A 39 10.045 17.238 -9.591 1.00 0.00 N ATOM 574 CA GLY A 39 11.450 17.226 -10.070 1.00 0.00 C ATOM 575 C GLY A 39 12.305 16.452 -9.065 1.00 0.00 C ATOM 576 O GLY A 39 13.514 16.402 -9.173 1.00 0.00 O ATOM 0 H GLY A 39 9.935 17.351 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.510 16.761 -11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.822 18.245 -10.176 1.00 0.00 H new ATOM 580 N LYS A 40 11.685 15.847 -8.081 1.00 0.00 N ATOM 581 CA LYS A 40 12.473 15.079 -7.072 1.00 0.00 C ATOM 582 C LYS A 40 11.576 14.080 -6.336 1.00 0.00 C ATOM 583 O LYS A 40 10.366 14.198 -6.341 1.00 0.00 O ATOM 584 CB LYS A 40 13.004 16.136 -6.102 1.00 0.00 C ATOM 585 CG LYS A 40 11.833 16.779 -5.357 1.00 0.00 C ATOM 586 CD LYS A 40 12.367 17.772 -4.324 1.00 0.00 C ATOM 587 CE LYS A 40 11.369 17.897 -3.171 1.00 0.00 C ATOM 588 NZ LYS A 40 12.070 17.318 -1.992 1.00 0.00 N ATOM 0 H LYS A 40 10.676 15.852 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 40 13.275 14.501 -7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.694 15.680 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.564 16.896 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.176 17.289 -6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.236 16.011 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.333 17.437 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.526 18.745 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.096 18.938 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.447 17.357 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.448 17.368 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.312 16.325 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.940 17.856 -1.807 1.00 0.00 H new ATOM 602 N GLU A 41 12.158 13.098 -5.700 1.00 0.00 N ATOM 603 CA GLU A 41 11.333 12.097 -4.964 1.00 0.00 C ATOM 604 C GLU A 41 10.811 12.698 -3.663 1.00 0.00 C ATOM 605 O GLU A 41 11.562 12.945 -2.740 1.00 0.00 O ATOM 606 CB GLU A 41 12.273 10.933 -4.650 1.00 0.00 C ATOM 607 CG GLU A 41 12.499 10.096 -5.911 1.00 0.00 C ATOM 608 CD GLU A 41 13.891 9.464 -5.861 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.782 10.087 -5.306 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.043 8.370 -6.378 1.00 0.00 O ATOM 0 H GLU A 41 13.166 12.946 -5.659 1.00 0.00 H new ATOM 0 HA GLU A 41 10.472 11.780 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.225 11.312 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.848 10.312 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.738 9.319 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.404 10.722 -6.798 1.00 0.00 H new ATOM 617 N ASP A 42 9.533 12.920 -3.568 1.00 0.00 N ATOM 618 CA ASP A 42 8.988 13.484 -2.307 1.00 0.00 C ATOM 619 C ASP A 42 9.099 12.438 -1.203 1.00 0.00 C ATOM 620 O ASP A 42 8.305 11.522 -1.115 1.00 0.00 O ATOM 621 CB ASP A 42 7.530 13.805 -2.594 1.00 0.00 C ATOM 622 CG ASP A 42 7.444 15.036 -3.498 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.161 15.073 -4.484 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.665 15.923 -3.187 1.00 0.00 O ATOM 0 H ASP A 42 8.848 12.737 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 42 9.528 14.373 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.048 12.954 -3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.997 13.988 -1.661 1.00 0.00 H new ATOM 629 N TYR A 43 10.086 12.561 -0.371 1.00 0.00 N ATOM 630 CA TYR A 43 10.266 11.568 0.724 1.00 0.00 C ATOM 631 C TYR A 43 9.317 11.887 1.881 1.00 0.00 C ATOM 632 O TYR A 43 9.721 11.966 3.024 1.00 0.00 O ATOM 633 CB TYR A 43 11.722 11.723 1.166 1.00 0.00 C ATOM 634 CG TYR A 43 12.640 11.261 0.059 1.00 0.00 C ATOM 635 CD1 TYR A 43 12.701 9.906 -0.283 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.430 12.193 -0.625 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.552 9.480 -1.309 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.283 11.767 -1.652 1.00 0.00 C ATOM 639 CZ TYR A 43 14.344 10.411 -1.994 1.00 0.00 C ATOM 640 OH TYR A 43 15.184 9.991 -3.005 1.00 0.00 O ATOM 0 H TYR A 43 10.781 13.307 -0.398 1.00 0.00 H new ATOM 0 HA TYR A 43 10.046 10.550 0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.929 12.764 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.902 11.140 2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.091 9.188 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.382 13.239 -0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.598 8.434 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.893 12.485 -2.180 1.00 0.00 H new ATOM 0 HH TYR A 43 15.066 10.567 -3.789 1.00 0.00 H new ATOM 650 N GLN A 44 8.059 12.078 1.595 1.00 0.00 N ATOM 651 CA GLN A 44 7.090 12.399 2.683 1.00 0.00 C ATOM 652 C GLN A 44 5.940 11.391 2.690 1.00 0.00 C ATOM 653 O GLN A 44 5.802 10.579 1.798 1.00 0.00 O ATOM 654 CB GLN A 44 6.573 13.799 2.352 1.00 0.00 C ATOM 655 CG GLN A 44 6.218 13.875 0.865 1.00 0.00 C ATOM 656 CD GLN A 44 5.628 15.252 0.551 1.00 0.00 C ATOM 657 OE1 GLN A 44 4.889 15.406 -0.400 1.00 0.00 O ATOM 658 NE2 GLN A 44 5.928 16.265 1.316 1.00 0.00 N ATOM 0 H GLN A 44 7.660 12.026 0.658 1.00 0.00 H new ATOM 0 HA GLN A 44 7.552 12.355 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.696 14.027 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.330 14.544 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.107 13.702 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.501 13.094 0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.549 16.135 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.542 17.187 1.116 1.00 0.00 H new ATOM 667 N LYS A 45 5.118 11.437 3.701 1.00 0.00 N ATOM 668 CA LYS A 45 3.979 10.483 3.786 1.00 0.00 C ATOM 669 C LYS A 45 3.342 10.283 2.414 1.00 0.00 C ATOM 670 O LYS A 45 3.082 11.225 1.691 1.00 0.00 O ATOM 671 CB LYS A 45 2.980 11.132 4.741 1.00 0.00 C ATOM 672 CG LYS A 45 2.850 12.623 4.419 1.00 0.00 C ATOM 673 CD LYS A 45 2.006 13.306 5.497 1.00 0.00 C ATOM 674 CE LYS A 45 0.583 12.745 5.466 1.00 0.00 C ATOM 675 NZ LYS A 45 -0.303 13.939 5.550 1.00 0.00 N ATOM 0 H LYS A 45 5.187 12.098 4.475 1.00 0.00 H new ATOM 0 HA LYS A 45 4.301 9.501 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.009 10.645 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.310 11.000 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.837 13.083 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.387 12.756 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.451 13.143 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.987 14.383 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.401 12.182 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.409 12.065 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.125 13.806 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.628 14.062 6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.224 14.784 5.252 1.00 0.00 H new ATOM 689 N CYS A 46 3.083 9.060 2.053 1.00 0.00 N ATOM 690 CA CYS A 46 2.456 8.788 0.733 1.00 0.00 C ATOM 691 C CYS A 46 1.221 9.670 0.546 1.00 0.00 C ATOM 692 O CYS A 46 0.955 10.172 -0.528 1.00 0.00 O ATOM 693 CB CYS A 46 2.050 7.318 0.798 1.00 0.00 C ATOM 694 SG CYS A 46 3.529 6.286 0.958 1.00 0.00 S ATOM 0 H CYS A 46 3.279 8.234 2.618 1.00 0.00 H new ATOM 0 HA CYS A 46 3.127 8.997 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.384 7.151 1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.498 7.043 -0.100 1.00 0.00 H new ATOM 699 N ALA A 47 0.460 9.849 1.588 1.00 0.00 N ATOM 700 CA ALA A 47 -0.774 10.684 1.485 1.00 0.00 C ATOM 701 C ALA A 47 -0.582 12.034 2.177 1.00 0.00 C ATOM 702 O ALA A 47 -1.366 12.427 3.018 1.00 0.00 O ATOM 703 CB ALA A 47 -1.846 9.882 2.207 1.00 0.00 C ATOM 0 H ALA A 47 0.638 9.453 2.511 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.031 10.896 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.790 10.427 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.970 8.916 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.548 9.727 3.244 1.00 0.00 H new ATOM 709 N THR A 48 0.450 12.744 1.833 1.00 0.00 N ATOM 710 CA THR A 48 0.689 14.070 2.469 1.00 0.00 C ATOM 711 C THR A 48 -0.574 14.936 2.388 1.00 0.00 C ATOM 712 O THR A 48 -1.652 14.456 2.104 1.00 0.00 O ATOM 713 CB THR A 48 1.829 14.701 1.668 1.00 0.00 C ATOM 714 OG1 THR A 48 2.647 13.674 1.122 1.00 0.00 O ATOM 715 CG2 THR A 48 2.669 15.591 2.585 1.00 0.00 C ATOM 0 H THR A 48 1.142 12.465 1.137 1.00 0.00 H new ATOM 0 HA THR A 48 0.940 13.978 3.526 1.00 0.00 H new ATOM 0 HB THR A 48 1.415 15.305 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.957 13.941 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.481 16.040 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.041 16.378 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.084 14.990 3.394 1.00 0.00 H new ATOM 723 N ALA A 49 -0.449 16.210 2.640 1.00 0.00 N ATOM 724 CA ALA A 49 -1.645 17.105 2.583 1.00 0.00 C ATOM 725 C ALA A 49 -2.051 17.367 1.130 1.00 0.00 C ATOM 726 O ALA A 49 -3.085 17.944 0.858 1.00 0.00 O ATOM 727 CB ALA A 49 -1.202 18.402 3.259 1.00 0.00 C ATOM 0 H ALA A 49 0.427 16.672 2.883 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.511 16.663 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.028 19.114 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.905 18.194 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.357 18.825 2.716 1.00 0.00 H new ATOM 733 N GLY A 50 -1.250 16.937 0.198 1.00 0.00 N ATOM 734 CA GLY A 50 -1.586 17.145 -1.240 1.00 0.00 C ATOM 735 C GLY A 50 -1.043 15.957 -2.025 1.00 0.00 C ATOM 736 O GLY A 50 -0.866 16.007 -3.225 1.00 0.00 O ATOM 0 H GLY A 50 -0.372 16.447 0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.665 17.228 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.148 18.075 -1.603 1.00 0.00 H new ATOM 740 N CYS A 51 -0.762 14.893 -1.331 1.00 0.00 N ATOM 741 CA CYS A 51 -0.212 13.683 -1.970 1.00 0.00 C ATOM 742 C CYS A 51 -1.319 12.620 -2.089 1.00 0.00 C ATOM 743 O CYS A 51 -2.414 12.917 -2.523 1.00 0.00 O ATOM 744 CB CYS A 51 0.885 13.293 -0.982 1.00 0.00 C ATOM 745 SG CYS A 51 2.501 13.738 -1.666 1.00 0.00 S ATOM 0 H CYS A 51 -0.896 14.816 -0.323 1.00 0.00 H new ATOM 0 HA CYS A 51 0.166 13.810 -2.984 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.729 13.801 -0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.845 12.222 -0.782 1.00 0.00 H new ATOM 750 N HIS A 52 -1.067 11.395 -1.707 1.00 0.00 N ATOM 751 CA HIS A 52 -2.135 10.360 -1.808 1.00 0.00 C ATOM 752 C HIS A 52 -3.105 10.514 -0.635 1.00 0.00 C ATOM 753 O HIS A 52 -3.332 9.591 0.120 1.00 0.00 O ATOM 754 CB HIS A 52 -1.408 9.019 -1.719 1.00 0.00 C ATOM 755 CG HIS A 52 -0.608 8.788 -2.961 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.215 8.610 -4.180 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.742 8.700 -3.191 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.247 8.422 -5.096 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.968 8.473 -4.543 1.00 0.00 N ATOM 0 H HIS A 52 -0.176 11.070 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.711 10.445 -2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.753 9.008 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.129 8.213 -1.586 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.219 8.619 -4.359 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.510 8.793 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.430 8.251 -6.147 1.00 0.00 H new ATOM 767 N ASP A 53 -3.665 11.680 -0.469 1.00 0.00 N ATOM 768 CA ASP A 53 -4.605 11.899 0.666 1.00 0.00 C ATOM 769 C ASP A 53 -6.057 11.923 0.183 1.00 0.00 C ATOM 770 O ASP A 53 -6.911 12.516 0.811 1.00 0.00 O ATOM 771 CB ASP A 53 -4.214 13.259 1.245 1.00 0.00 C ATOM 772 CG ASP A 53 -4.685 13.350 2.697 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.833 13.024 2.948 1.00 0.00 O ATOM 774 OD2 ASP A 53 -3.890 13.746 3.534 1.00 0.00 O ATOM 0 H ASP A 53 -3.513 12.490 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.539 11.099 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.133 13.391 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.661 14.059 0.656 1.00 0.00 H new ATOM 779 N ASN A 54 -6.357 11.279 -0.912 1.00 0.00 N ATOM 780 CA ASN A 54 -7.768 11.278 -1.387 1.00 0.00 C ATOM 781 C ASN A 54 -8.568 10.249 -0.585 1.00 0.00 C ATOM 782 O ASN A 54 -8.443 9.057 -0.784 1.00 0.00 O ATOM 783 CB ASN A 54 -7.699 10.889 -2.865 1.00 0.00 C ATOM 784 CG ASN A 54 -8.774 11.649 -3.643 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.626 10.984 -4.373 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.840 12.861 -3.585 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.696 10.761 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.258 12.243 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.712 11.120 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.845 9.815 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.174 13.381 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.562 13.358 -4.107 1.00 0.00 H new ATOM 793 N MET A 55 -9.375 10.703 0.336 1.00 0.00 N ATOM 794 CA MET A 55 -10.168 9.755 1.167 1.00 0.00 C ATOM 795 C MET A 55 -11.396 9.258 0.401 1.00 0.00 C ATOM 796 O MET A 55 -12.351 8.783 0.984 1.00 0.00 O ATOM 797 CB MET A 55 -10.594 10.570 2.387 1.00 0.00 C ATOM 798 CG MET A 55 -9.356 11.165 3.062 1.00 0.00 C ATOM 799 SD MET A 55 -9.648 11.300 4.843 1.00 0.00 S ATOM 800 CE MET A 55 -7.913 11.366 5.353 1.00 0.00 C ATOM 0 H MET A 55 -9.519 11.690 0.548 1.00 0.00 H new ATOM 0 HA MET A 55 -9.593 8.870 1.439 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.275 11.366 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.135 9.936 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.487 10.536 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.136 12.147 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.846 11.237 6.433 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.358 10.570 4.858 1.00 0.00 H new ATOM 0 HE3 MET A 55 -7.489 12.331 5.076 1.00 0.00 H new ATOM 810 N ASP A 56 -11.380 9.355 -0.899 1.00 0.00 N ATOM 811 CA ASP A 56 -12.547 8.878 -1.692 1.00 0.00 C ATOM 812 C ASP A 56 -12.339 7.416 -2.093 1.00 0.00 C ATOM 813 O ASP A 56 -13.242 6.758 -2.570 1.00 0.00 O ATOM 814 CB ASP A 56 -12.582 9.777 -2.928 1.00 0.00 C ATOM 815 CG ASP A 56 -14.036 10.059 -3.313 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.836 10.271 -2.417 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.325 10.055 -4.499 1.00 0.00 O ATOM 0 H ASP A 56 -10.611 9.743 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.481 8.927 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.060 10.712 -2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.062 9.295 -3.756 1.00 0.00 H new ATOM 822 N LYS A 57 -11.152 6.902 -1.904 1.00 0.00 N ATOM 823 CA LYS A 57 -10.889 5.483 -2.278 1.00 0.00 C ATOM 824 C LYS A 57 -11.470 5.190 -3.664 1.00 0.00 C ATOM 825 O LYS A 57 -11.754 4.059 -4.004 1.00 0.00 O ATOM 826 CB LYS A 57 -11.595 4.655 -1.206 1.00 0.00 C ATOM 827 CG LYS A 57 -11.215 5.184 0.175 1.00 0.00 C ATOM 828 CD LYS A 57 -12.387 5.975 0.760 1.00 0.00 C ATOM 829 CE LYS A 57 -13.267 5.042 1.595 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.661 5.501 1.341 1.00 0.00 N ATOM 0 H LYS A 57 -10.356 7.402 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.824 5.255 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.675 4.707 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.313 3.606 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.956 4.356 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.333 5.821 0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.015 6.792 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.973 6.424 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.133 4.002 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.017 5.106 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.325 4.909 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.760 6.492 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.873 5.423 0.326 1.00 0.00 H new ATOM 844 N LYS A 58 -11.646 6.205 -4.466 1.00 0.00 N ATOM 845 CA LYS A 58 -12.205 5.994 -5.831 1.00 0.00 C ATOM 846 C LYS A 58 -11.289 6.633 -6.879 1.00 0.00 C ATOM 847 O LYS A 58 -11.267 6.232 -8.026 1.00 0.00 O ATOM 848 CB LYS A 58 -13.566 6.689 -5.814 1.00 0.00 C ATOM 849 CG LYS A 58 -14.452 6.052 -4.740 1.00 0.00 C ATOM 850 CD LYS A 58 -15.704 5.462 -5.394 1.00 0.00 C ATOM 851 CE LYS A 58 -16.147 4.219 -4.618 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.468 4.582 -4.034 1.00 0.00 N ATOM 0 H LYS A 58 -11.426 7.173 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.291 4.937 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.440 7.753 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.042 6.603 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.901 5.272 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.734 6.798 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.505 6.202 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.497 5.201 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.230 3.352 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.428 3.962 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.838 3.779 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.357 5.406 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.133 4.815 -4.799 1.00 0.00 H new ATOM 866 N ASP A 59 -10.532 7.624 -6.493 1.00 0.00 N ATOM 867 CA ASP A 59 -9.617 8.286 -7.467 1.00 0.00 C ATOM 868 C ASP A 59 -8.565 7.292 -7.962 1.00 0.00 C ATOM 869 O ASP A 59 -7.604 6.998 -7.280 1.00 0.00 O ATOM 870 CB ASP A 59 -8.953 9.420 -6.683 1.00 0.00 C ATOM 871 CG ASP A 59 -7.734 9.928 -7.455 1.00 0.00 C ATOM 872 OD1 ASP A 59 -7.927 10.649 -8.419 1.00 0.00 O ATOM 873 OD2 ASP A 59 -6.628 9.588 -7.067 1.00 0.00 O ATOM 0 H ASP A 59 -10.507 8.004 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.147 8.654 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.663 10.233 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.651 9.067 -5.697 1.00 0.00 H new ATOM 878 N LYS A 60 -8.737 6.773 -9.147 1.00 0.00 N ATOM 879 CA LYS A 60 -7.743 5.799 -9.684 1.00 0.00 C ATOM 880 C LYS A 60 -6.560 6.545 -10.304 1.00 0.00 C ATOM 881 O LYS A 60 -5.740 5.968 -10.991 1.00 0.00 O ATOM 882 CB LYS A 60 -8.501 5.011 -10.752 1.00 0.00 C ATOM 883 CG LYS A 60 -8.895 3.643 -10.192 1.00 0.00 C ATOM 884 CD LYS A 60 -7.741 2.658 -10.390 1.00 0.00 C ATOM 885 CE LYS A 60 -7.825 2.048 -11.791 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.653 2.603 -12.523 1.00 0.00 N ATOM 0 H LYS A 60 -9.521 6.980 -9.766 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.338 5.148 -8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.391 5.559 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.879 4.888 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.137 3.728 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.790 3.277 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.787 3.169 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.786 1.872 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.786 0.959 -11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.760 2.315 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.418 1.983 -13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.883 3.553 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.838 2.661 -11.880 1.00 0.00 H new ATOM 900 N SER A 61 -6.464 7.825 -10.067 1.00 0.00 N ATOM 901 CA SER A 61 -5.333 8.607 -10.643 1.00 0.00 C ATOM 902 C SER A 61 -4.072 8.417 -9.797 1.00 0.00 C ATOM 903 O SER A 61 -3.926 7.438 -9.093 1.00 0.00 O ATOM 904 CB SER A 61 -5.796 10.062 -10.599 1.00 0.00 C ATOM 905 OG SER A 61 -5.907 10.560 -11.926 1.00 0.00 O ATOM 0 H SER A 61 -7.119 8.363 -9.500 1.00 0.00 H new ATOM 0 HA SER A 61 -5.084 8.289 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.757 10.135 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.087 10.664 -10.030 1.00 0.00 H new ATOM 0 HG SER A 61 -6.206 11.493 -11.901 1.00 0.00 H new ATOM 911 N ALA A 62 -3.161 9.348 -9.860 1.00 0.00 N ATOM 912 CA ALA A 62 -1.908 9.224 -9.063 1.00 0.00 C ATOM 913 C ALA A 62 -1.995 10.082 -7.794 1.00 0.00 C ATOM 914 O ALA A 62 -0.997 10.550 -7.283 1.00 0.00 O ATOM 915 CB ALA A 62 -0.807 9.749 -9.984 1.00 0.00 C ATOM 0 H ALA A 62 -3.230 10.191 -10.430 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.724 8.199 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.153 9.693 -9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.771 9.144 -10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.017 10.785 -10.248 1.00 0.00 H new ATOM 921 N LYS A 63 -3.179 10.302 -7.287 1.00 0.00 N ATOM 922 CA LYS A 63 -3.320 11.139 -6.059 1.00 0.00 C ATOM 923 C LYS A 63 -4.217 10.452 -5.029 1.00 0.00 C ATOM 924 O LYS A 63 -4.336 10.896 -3.905 1.00 0.00 O ATOM 925 CB LYS A 63 -3.977 12.430 -6.543 1.00 0.00 C ATOM 926 CG LYS A 63 -3.353 13.626 -5.821 1.00 0.00 C ATOM 927 CD LYS A 63 -2.993 14.708 -6.841 1.00 0.00 C ATOM 928 CE LYS A 63 -3.982 15.871 -6.722 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.792 16.666 -7.966 1.00 0.00 N ATOM 0 H LYS A 63 -4.053 9.940 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.359 11.311 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.847 12.534 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.050 12.397 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.051 14.024 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.461 13.312 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.977 15.062 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.020 14.295 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.007 15.510 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.780 16.472 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.437 17.482 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.809 17.002 -8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.998 16.070 -8.793 1.00 0.00 H new ATOM 943 N GLY A 64 -4.857 9.378 -5.398 1.00 0.00 N ATOM 944 CA GLY A 64 -5.744 8.684 -4.434 1.00 0.00 C ATOM 945 C GLY A 64 -4.899 7.988 -3.375 1.00 0.00 C ATOM 946 O GLY A 64 -3.726 7.733 -3.564 1.00 0.00 O ATOM 0 H GLY A 64 -4.802 8.954 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.418 9.400 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.365 7.956 -4.955 1.00 0.00 H new ATOM 950 N TYR A 65 -5.490 7.683 -2.261 1.00 0.00 N ATOM 951 CA TYR A 65 -4.731 7.003 -1.176 1.00 0.00 C ATOM 952 C TYR A 65 -4.967 5.494 -1.223 1.00 0.00 C ATOM 953 O TYR A 65 -4.162 4.719 -0.752 1.00 0.00 O ATOM 954 CB TYR A 65 -5.286 7.580 0.123 1.00 0.00 C ATOM 955 CG TYR A 65 -4.436 7.097 1.273 1.00 0.00 C ATOM 956 CD1 TYR A 65 -3.042 7.064 1.149 1.00 0.00 C ATOM 957 CD2 TYR A 65 -5.042 6.675 2.460 1.00 0.00 C ATOM 958 CE1 TYR A 65 -2.256 6.610 2.215 1.00 0.00 C ATOM 959 CE2 TYR A 65 -4.257 6.221 3.526 1.00 0.00 C ATOM 960 CZ TYR A 65 -2.863 6.188 3.403 1.00 0.00 C ATOM 961 OH TYR A 65 -2.089 5.741 4.453 1.00 0.00 O ATOM 0 H TYR A 65 -6.470 7.875 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.657 7.162 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.283 8.669 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.321 7.269 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.573 7.388 0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.118 6.699 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.180 6.585 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.726 5.896 4.443 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.031 6.440 5.137 1.00 0.00 H new ATOM 971 N TYR A 66 -6.066 5.069 -1.777 1.00 0.00 N ATOM 972 CA TYR A 66 -6.347 3.613 -1.840 1.00 0.00 C ATOM 973 C TYR A 66 -6.005 3.074 -3.234 1.00 0.00 C ATOM 974 O TYR A 66 -6.087 1.891 -3.492 1.00 0.00 O ATOM 975 CB TYR A 66 -7.844 3.508 -1.555 1.00 0.00 C ATOM 976 CG TYR A 66 -8.393 2.249 -2.169 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.617 2.192 -3.547 1.00 0.00 C ATOM 978 CD2 TYR A 66 -8.675 1.142 -1.364 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.125 1.024 -4.125 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.182 -0.029 -1.939 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.408 -0.088 -3.321 1.00 0.00 C ATOM 982 OH TYR A 66 -9.908 -1.242 -3.889 1.00 0.00 O ATOM 0 H TYR A 66 -6.781 5.669 -2.189 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.757 3.030 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.019 3.505 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.362 4.377 -1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.398 3.050 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.502 1.190 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.299 0.979 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.399 -0.886 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.047 -1.916 -3.191 1.00 0.00 H new ATOM 992 N HIS A 67 -5.617 3.933 -4.134 1.00 0.00 N ATOM 993 CA HIS A 67 -5.266 3.464 -5.506 1.00 0.00 C ATOM 994 C HIS A 67 -3.798 3.025 -5.561 1.00 0.00 C ATOM 995 O HIS A 67 -3.492 1.853 -5.652 1.00 0.00 O ATOM 996 CB HIS A 67 -5.497 4.674 -6.413 1.00 0.00 C ATOM 997 CG HIS A 67 -4.665 4.526 -7.656 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.993 3.631 -8.659 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.500 5.132 -8.058 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -4.042 3.717 -9.606 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -3.108 4.618 -9.290 1.00 0.00 N ATOM 0 H HIS A 67 -5.527 4.937 -3.981 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.865 2.606 -5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.552 4.751 -6.674 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.230 5.592 -5.890 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.808 3.018 -8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.969 5.891 -7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.034 3.129 -10.512 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.892 3.961 -5.518 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.443 3.609 -5.580 1.00 0.00 C ATOM 1011 C ALA A 68 -1.103 2.495 -4.583 1.00 0.00 C ATOM 1012 O ALA A 68 -0.087 1.844 -4.698 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.710 4.897 -5.200 1.00 0.00 C ATOM 0 H ALA A 68 -3.092 4.958 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.160 3.241 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.366 4.723 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.965 5.684 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.008 5.203 -4.197 1.00 0.00 H new ATOM 1019 N MET A 69 -1.927 2.279 -3.595 1.00 0.00 N ATOM 1020 CA MET A 69 -1.618 1.217 -2.595 1.00 0.00 C ATOM 1021 C MET A 69 -2.170 -0.141 -3.029 1.00 0.00 C ATOM 1022 O MET A 69 -1.530 -1.157 -2.850 1.00 0.00 O ATOM 1023 CB MET A 69 -2.293 1.689 -1.314 1.00 0.00 C ATOM 1024 CG MET A 69 -1.690 3.029 -0.901 1.00 0.00 C ATOM 1025 SD MET A 69 -0.566 2.792 0.495 1.00 0.00 S ATOM 1026 CE MET A 69 0.760 3.866 -0.108 1.00 0.00 C ATOM 0 H MET A 69 -2.796 2.788 -3.437 1.00 0.00 H new ATOM 0 HA MET A 69 -0.544 1.075 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.367 1.791 -1.470 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.154 0.953 -0.522 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.153 3.471 -1.741 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.482 3.726 -0.627 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.378 4.187 0.731 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.375 3.319 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.327 4.740 -0.595 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.346 -0.181 -3.588 1.00 0.00 N ATOM 1037 CA HIS A 70 -3.909 -1.493 -4.011 1.00 0.00 C ATOM 1038 C HIS A 70 -3.787 -1.670 -5.525 1.00 0.00 C ATOM 1039 O HIS A 70 -3.949 -2.755 -6.047 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.380 -1.442 -3.612 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.503 -1.024 -2.178 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.853 0.266 -1.815 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.350 -1.714 -1.005 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -5.902 0.311 -0.475 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.606 -0.869 0.068 1.00 0.00 N ATOM 0 H HIS A 70 -3.938 0.630 -3.769 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.381 -2.326 -3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.916 -0.741 -4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.839 -2.420 -3.756 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.040 1.041 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.073 -2.755 -0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.151 1.195 0.093 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.526 -0.611 -6.235 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.421 -0.716 -7.715 1.00 0.00 C ATOM 1055 C ASP A 71 -2.002 -1.093 -8.144 1.00 0.00 C ATOM 1056 O ASP A 71 -1.026 -0.610 -7.603 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.780 0.677 -8.218 1.00 0.00 C ATOM 1058 CG ASP A 71 -5.209 1.012 -7.787 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.514 0.821 -6.622 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.975 1.447 -8.631 1.00 0.00 O ATOM 0 H ASP A 71 -3.381 0.324 -5.854 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.073 -1.491 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.084 1.413 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.695 0.718 -9.304 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.885 -1.946 -9.125 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.537 -2.351 -9.610 1.00 0.00 C ATOM 1067 C LYS A 72 -0.223 -1.619 -10.918 1.00 0.00 C ATOM 1068 O LYS A 72 -0.901 -0.682 -11.289 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.635 -3.859 -9.846 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.787 -4.152 -10.809 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.945 -4.789 -10.040 1.00 0.00 C ATOM 1072 CE LYS A 72 -4.275 -4.312 -10.629 1.00 0.00 C ATOM 1073 NZ LYS A 72 -5.301 -4.698 -9.622 1.00 0.00 N ATOM 0 H LYS A 72 -2.668 -2.381 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 72 0.255 -2.106 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.302 -4.235 -10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.797 -4.376 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.118 -3.231 -11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.451 -4.821 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.879 -5.876 -10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.886 -4.521 -8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.270 -3.235 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.471 -4.782 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.242 -4.404 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.287 -5.730 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.092 -4.230 -8.717 1.00 0.00 H new ATOM 1087 N GLY A 73 0.795 -2.034 -11.620 1.00 0.00 N ATOM 1088 CA GLY A 73 1.140 -1.350 -12.899 1.00 0.00 C ATOM 1089 C GLY A 73 1.032 0.164 -12.706 1.00 0.00 C ATOM 1090 O GLY A 73 0.794 0.905 -13.638 1.00 0.00 O ATOM 0 H GLY A 73 1.401 -2.814 -11.365 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.151 -1.618 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.468 -1.676 -13.692 1.00 0.00 H new ATOM 1094 N THR A 74 1.204 0.626 -11.497 1.00 0.00 N ATOM 1095 CA THR A 74 1.111 2.089 -11.230 1.00 0.00 C ATOM 1096 C THR A 74 2.409 2.787 -11.642 1.00 0.00 C ATOM 1097 O THR A 74 3.417 2.149 -11.871 1.00 0.00 O ATOM 1098 CB THR A 74 0.925 2.188 -9.714 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.680 1.164 -9.083 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.553 2.024 -9.359 1.00 0.00 C ATOM 0 H THR A 74 1.406 0.050 -10.680 1.00 0.00 H new ATOM 0 HA THR A 74 0.302 2.562 -11.786 1.00 0.00 H new ATOM 0 HB THR A 74 1.268 3.164 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.616 1.225 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.678 2.096 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.133 2.809 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.903 1.050 -9.701 1.00 0.00 H new ATOM 1108 N LYS A 75 2.396 4.092 -11.729 1.00 0.00 N ATOM 1109 CA LYS A 75 3.638 4.823 -12.114 1.00 0.00 C ATOM 1110 C LYS A 75 4.847 4.155 -11.453 1.00 0.00 C ATOM 1111 O LYS A 75 5.925 4.095 -12.013 1.00 0.00 O ATOM 1112 CB LYS A 75 3.449 6.243 -11.570 1.00 0.00 C ATOM 1113 CG LYS A 75 4.234 7.229 -12.435 1.00 0.00 C ATOM 1114 CD LYS A 75 3.736 7.154 -13.880 1.00 0.00 C ATOM 1115 CE LYS A 75 4.919 6.893 -14.815 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.494 5.744 -15.663 1.00 0.00 N ATOM 0 H LYS A 75 1.582 4.680 -11.551 1.00 0.00 H new ATOM 0 HA LYS A 75 3.809 4.823 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.391 6.506 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.792 6.297 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.113 8.242 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.298 6.997 -12.394 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.997 6.359 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.241 8.086 -14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.143 7.770 -15.422 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.822 6.656 -14.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.026 5.757 -16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.683 4.853 -15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.476 5.819 -15.865 1.00 0.00 H new ATOM 1130 N PHE A 76 4.665 3.645 -10.267 1.00 0.00 N ATOM 1131 CA PHE A 76 5.787 2.964 -9.556 1.00 0.00 C ATOM 1132 C PHE A 76 5.281 1.701 -8.874 1.00 0.00 C ATOM 1133 O PHE A 76 4.096 1.432 -8.857 1.00 0.00 O ATOM 1134 CB PHE A 76 6.258 3.959 -8.503 1.00 0.00 C ATOM 1135 CG PHE A 76 6.605 5.259 -9.175 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.820 5.400 -9.852 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.697 6.322 -9.129 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.126 6.607 -10.486 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.005 7.528 -9.760 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.218 7.671 -10.439 1.00 0.00 C ATOM 0 H PHE A 76 3.783 3.670 -9.755 1.00 0.00 H new ATOM 0 HA PHE A 76 6.586 2.676 -10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.477 4.117 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.126 3.565 -7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.520 4.578 -9.885 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.759 6.210 -8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.063 6.719 -11.012 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.306 8.351 -9.724 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.455 8.604 -10.928 1.00 0.00 H new ATOM 1150 N LYS A 77 6.152 0.926 -8.287 1.00 0.00 N ATOM 1151 CA LYS A 77 5.662 -0.288 -7.599 1.00 0.00 C ATOM 1152 C LYS A 77 4.870 0.138 -6.370 1.00 0.00 C ATOM 1153 O LYS A 77 5.388 0.718 -5.437 1.00 0.00 O ATOM 1154 CB LYS A 77 6.888 -1.105 -7.220 1.00 0.00 C ATOM 1155 CG LYS A 77 7.829 -0.280 -6.347 1.00 0.00 C ATOM 1156 CD LYS A 77 9.133 -1.057 -6.147 1.00 0.00 C ATOM 1157 CE LYS A 77 9.714 -1.445 -7.510 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.088 -2.757 -7.840 1.00 0.00 N ATOM 0 H LYS A 77 7.160 1.081 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 77 5.005 -0.888 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.582 -2.005 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.409 -1.430 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.032 0.682 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.363 -0.072 -5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.849 -0.449 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.948 -1.951 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.480 -0.695 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.800 -1.526 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.821 -3.494 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.383 -2.998 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.622 -2.696 -8.768 1.00 0.00 H new ATOM 1172 N SER A 78 3.607 -0.125 -6.401 1.00 0.00 N ATOM 1173 CA SER A 78 2.707 0.274 -5.283 1.00 0.00 C ATOM 1174 C SER A 78 2.829 -0.688 -4.100 1.00 0.00 C ATOM 1175 O SER A 78 3.514 -1.689 -4.164 1.00 0.00 O ATOM 1176 CB SER A 78 1.306 0.192 -5.882 1.00 0.00 C ATOM 1177 OG SER A 78 1.291 -0.796 -6.904 1.00 0.00 O ATOM 0 H SER A 78 3.142 -0.611 -7.168 1.00 0.00 H new ATOM 0 HA SER A 78 2.951 1.264 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.581 -0.058 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.015 1.160 -6.291 1.00 0.00 H new ATOM 0 HG SER A 78 0.392 -1.178 -6.976 1.00 0.00 H new ATOM 1183 N CYS A 79 2.155 -0.390 -3.021 1.00 0.00 N ATOM 1184 CA CYS A 79 2.211 -1.281 -1.832 1.00 0.00 C ATOM 1185 C CYS A 79 1.706 -2.672 -2.217 1.00 0.00 C ATOM 1186 O CYS A 79 2.456 -3.626 -2.267 1.00 0.00 O ATOM 1187 CB CYS A 79 1.284 -0.624 -0.811 1.00 0.00 C ATOM 1188 SG CYS A 79 1.876 1.049 -0.450 1.00 0.00 S ATOM 0 H CYS A 79 1.566 0.436 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 79 3.219 -1.405 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.266 -0.586 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.254 -1.216 0.104 1.00 0.00 H new ATOM 1193 N VAL A 80 0.442 -2.789 -2.515 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.107 -4.113 -2.925 1.00 0.00 C ATOM 1195 C VAL A 80 0.518 -4.522 -4.262 1.00 0.00 C ATOM 1196 O VAL A 80 0.639 -5.691 -4.574 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.612 -3.892 -3.075 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.225 -5.048 -3.866 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.263 -3.824 -1.685 1.00 0.00 C ATOM 0 H VAL A 80 -0.235 -2.026 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 80 0.108 -4.904 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.787 -2.956 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.298 -4.888 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.766 -5.097 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.048 -5.985 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.336 -3.666 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.085 -4.759 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.830 -2.998 -1.120 1.00 0.00 H new ATOM 1209 N GLY A 81 0.926 -3.560 -5.050 1.00 0.00 N ATOM 1210 CA GLY A 81 1.557 -3.882 -6.362 1.00 0.00 C ATOM 1211 C GLY A 81 2.952 -4.455 -6.114 1.00 0.00 C ATOM 1212 O GLY A 81 3.350 -5.432 -6.717 1.00 0.00 O ATOM 0 H GLY A 81 0.849 -2.565 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.946 -4.601 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.622 -2.986 -6.979 1.00 0.00 H new ATOM 1216 N CYS A 82 3.688 -3.866 -5.210 1.00 0.00 N ATOM 1217 CA CYS A 82 5.048 -4.392 -4.901 1.00 0.00 C ATOM 1218 C CYS A 82 4.894 -5.625 -4.023 1.00 0.00 C ATOM 1219 O CYS A 82 5.748 -6.487 -3.968 1.00 0.00 O ATOM 1220 CB CYS A 82 5.749 -3.275 -4.125 1.00 0.00 C ATOM 1221 SG CYS A 82 7.543 -3.494 -4.237 1.00 0.00 S ATOM 0 H CYS A 82 3.407 -3.045 -4.674 1.00 0.00 H new ATOM 0 HA CYS A 82 5.612 -4.669 -5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.465 -2.303 -4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.435 -3.290 -3.081 1.00 0.00 H new ATOM 1226 N HIS A 83 3.790 -5.703 -3.338 1.00 0.00 N ATOM 1227 CA HIS A 83 3.530 -6.862 -2.453 1.00 0.00 C ATOM 1228 C HIS A 83 3.178 -8.091 -3.298 1.00 0.00 C ATOM 1229 O HIS A 83 3.863 -9.094 -3.259 1.00 0.00 O ATOM 1230 CB HIS A 83 2.358 -6.405 -1.585 1.00 0.00 C ATOM 1231 CG HIS A 83 2.902 -5.711 -0.369 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.195 -5.628 0.819 1.00 0.00 N ATOM 1233 CD2 HIS A 83 4.094 -5.069 -0.143 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.961 -4.963 1.700 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.128 -4.600 1.164 1.00 0.00 N ATOM 0 H HIS A 83 3.049 -5.002 -3.356 1.00 0.00 H new ATOM 0 HA HIS A 83 4.387 -7.154 -1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.711 -5.731 -2.147 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.749 -7.260 -1.291 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.263 -6.003 0.993 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.884 -4.947 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.668 -4.749 2.717 1.00 0.00 H new ATOM 1243 N LEU A 84 2.134 -8.019 -4.080 1.00 0.00 N ATOM 1244 CA LEU A 84 1.773 -9.175 -4.937 1.00 0.00 C ATOM 1245 C LEU A 84 3.003 -9.629 -5.726 1.00 0.00 C ATOM 1246 O LEU A 84 3.160 -10.792 -6.040 1.00 0.00 O ATOM 1247 CB LEU A 84 0.703 -8.623 -5.873 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.509 -9.548 -5.854 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.750 -8.775 -6.298 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.270 -10.724 -6.803 1.00 0.00 C ATOM 0 H LEU A 84 1.519 -7.209 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 84 1.420 -10.038 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.414 -7.619 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.097 -8.541 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.661 -9.925 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.616 -9.437 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.921 -7.940 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.600 -8.395 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.137 -11.385 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.116 -10.349 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.613 -11.277 -6.482 1.00 0.00 H new ATOM 1262 N GLU A 85 3.880 -8.715 -6.039 1.00 0.00 N ATOM 1263 CA GLU A 85 5.109 -9.085 -6.797 1.00 0.00 C ATOM 1264 C GLU A 85 6.186 -9.574 -5.827 1.00 0.00 C ATOM 1265 O GLU A 85 6.748 -10.638 -5.995 1.00 0.00 O ATOM 1266 CB GLU A 85 5.553 -7.795 -7.489 1.00 0.00 C ATOM 1267 CG GLU A 85 4.577 -7.458 -8.618 1.00 0.00 C ATOM 1268 CD GLU A 85 4.866 -8.353 -9.825 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.027 -8.650 -10.052 1.00 0.00 O ATOM 1270 OE2 GLU A 85 3.922 -8.724 -10.501 1.00 0.00 O ATOM 0 H GLU A 85 3.798 -7.726 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 85 4.933 -9.887 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.589 -6.977 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.560 -7.912 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.550 -7.603 -8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.675 -6.409 -8.897 1.00 0.00 H new ATOM 1277 N THR A 86 6.473 -8.809 -4.808 1.00 0.00 N ATOM 1278 CA THR A 86 7.508 -9.240 -3.826 1.00 0.00 C ATOM 1279 C THR A 86 7.140 -10.617 -3.269 1.00 0.00 C ATOM 1280 O THR A 86 7.967 -11.318 -2.720 1.00 0.00 O ATOM 1281 CB THR A 86 7.480 -8.177 -2.723 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.269 -7.064 -3.124 1.00 0.00 O ATOM 1283 CG2 THR A 86 8.046 -8.761 -1.425 1.00 0.00 C ATOM 0 H THR A 86 6.037 -7.908 -4.614 1.00 0.00 H new ATOM 0 HA THR A 86 8.500 -9.327 -4.268 1.00 0.00 H new ATOM 0 HB THR A 86 6.451 -7.858 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.703 -6.411 -3.585 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.024 -8.001 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.443 -9.615 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.074 -9.083 -1.589 1.00 0.00 H new ATOM 1291 N ALA A 87 5.905 -11.011 -3.413 1.00 0.00 N ATOM 1292 CA ALA A 87 5.481 -12.344 -2.900 1.00 0.00 C ATOM 1293 C ALA A 87 5.686 -13.407 -3.982 1.00 0.00 C ATOM 1294 O ALA A 87 6.039 -14.535 -3.704 1.00 0.00 O ATOM 1295 CB ALA A 87 3.995 -12.192 -2.570 1.00 0.00 C ATOM 0 H ALA A 87 5.170 -10.467 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 87 6.057 -12.656 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.609 -13.136 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.867 -11.414 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.448 -11.918 -3.472 1.00 0.00 H new ATOM 1301 N GLY A 88 5.471 -13.048 -5.216 1.00 0.00 N ATOM 1302 CA GLY A 88 5.654 -14.026 -6.324 1.00 0.00 C ATOM 1303 C GLY A 88 4.736 -15.228 -6.105 1.00 0.00 C ATOM 1304 O GLY A 88 3.553 -15.084 -5.865 1.00 0.00 O ATOM 0 H GLY A 88 5.175 -12.116 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.429 -13.554 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.693 -14.352 -6.366 1.00 0.00 H new ATOM 1308 N ALA A 89 5.271 -16.414 -6.186 1.00 0.00 N ATOM 1309 CA ALA A 89 4.429 -17.628 -5.985 1.00 0.00 C ATOM 1310 C ALA A 89 4.518 -18.099 -4.534 1.00 0.00 C ATOM 1311 O ALA A 89 4.718 -19.265 -4.259 1.00 0.00 O ATOM 1312 CB ALA A 89 5.025 -18.676 -6.915 1.00 0.00 C ATOM 0 H ALA A 89 6.255 -16.596 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 89 3.377 -17.439 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.460 -19.604 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.978 -18.319 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.064 -18.857 -6.641 1.00 0.00 H new ATOM 1318 N ASP A 90 4.364 -17.202 -3.605 1.00 0.00 N ATOM 1319 CA ASP A 90 4.432 -17.592 -2.175 1.00 0.00 C ATOM 1320 C ASP A 90 3.107 -17.265 -1.495 1.00 0.00 C ATOM 1321 O ASP A 90 2.961 -16.255 -0.836 1.00 0.00 O ATOM 1322 CB ASP A 90 5.569 -16.762 -1.590 1.00 0.00 C ATOM 1323 CG ASP A 90 5.671 -17.018 -0.086 1.00 0.00 C ATOM 1324 OD1 ASP A 90 4.762 -17.625 0.455 1.00 0.00 O ATOM 1325 OD2 ASP A 90 6.658 -16.603 0.500 1.00 0.00 O ATOM 0 H ASP A 90 4.193 -16.211 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 90 4.608 -18.659 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.509 -17.020 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.393 -15.703 -1.778 1.00 0.00 H new ATOM 1330 N ALA A 91 2.143 -18.116 -1.667 1.00 0.00 N ATOM 1331 CA ALA A 91 0.803 -17.880 -1.050 1.00 0.00 C ATOM 1332 C ALA A 91 0.959 -17.286 0.352 1.00 0.00 C ATOM 1333 O ALA A 91 0.099 -16.573 0.832 1.00 0.00 O ATOM 1334 CB ALA A 91 0.153 -19.262 -0.976 1.00 0.00 C ATOM 0 H ALA A 91 2.220 -18.975 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 91 0.203 -17.176 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.839 -19.174 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.066 -19.677 -1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.768 -19.921 -0.363 1.00 0.00 H new ATOM 1340 N ALA A 92 2.056 -17.552 1.002 1.00 0.00 N ATOM 1341 CA ALA A 92 2.272 -16.980 2.360 1.00 0.00 C ATOM 1342 C ALA A 92 2.643 -15.511 2.212 1.00 0.00 C ATOM 1343 O ALA A 92 2.193 -14.660 2.954 1.00 0.00 O ATOM 1344 CB ALA A 92 3.433 -17.778 2.956 1.00 0.00 C ATOM 0 H ALA A 92 2.812 -18.140 0.653 1.00 0.00 H new ATOM 0 HA ALA A 92 1.390 -17.041 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.649 -17.411 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.162 -18.833 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.316 -17.660 2.328 1.00 0.00 H new ATOM 1350 N LYS A 93 3.447 -15.211 1.235 1.00 0.00 N ATOM 1351 CA LYS A 93 3.842 -13.803 0.995 1.00 0.00 C ATOM 1352 C LYS A 93 2.674 -13.059 0.348 1.00 0.00 C ATOM 1353 O LYS A 93 2.554 -11.856 0.448 1.00 0.00 O ATOM 1354 CB LYS A 93 5.020 -13.899 0.034 1.00 0.00 C ATOM 1355 CG LYS A 93 6.325 -13.852 0.825 1.00 0.00 C ATOM 1356 CD LYS A 93 7.510 -13.796 -0.142 1.00 0.00 C ATOM 1357 CE LYS A 93 8.817 -13.934 0.642 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.232 -15.352 0.448 1.00 0.00 N ATOM 0 H LYS A 93 3.850 -15.888 0.588 1.00 0.00 H new ATOM 0 HA LYS A 93 4.105 -13.265 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.962 -14.825 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.987 -13.078 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.335 -12.980 1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.406 -14.731 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.430 -14.595 -0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.501 -12.854 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.576 -13.246 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.670 -13.706 1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.848 -15.644 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.389 -15.960 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.749 -15.443 -0.450 1.00 0.00 H new ATOM 1372 N LYS A 94 1.803 -13.775 -0.310 1.00 0.00 N ATOM 1373 CA LYS A 94 0.635 -13.112 -0.954 1.00 0.00 C ATOM 1374 C LYS A 94 -0.403 -12.754 0.111 1.00 0.00 C ATOM 1375 O LYS A 94 -1.176 -11.830 -0.045 1.00 0.00 O ATOM 1376 CB LYS A 94 0.076 -14.146 -1.932 1.00 0.00 C ATOM 1377 CG LYS A 94 0.108 -13.575 -3.351 1.00 0.00 C ATOM 1378 CD LYS A 94 -1.300 -13.618 -3.951 1.00 0.00 C ATOM 1379 CE LYS A 94 -1.219 -14.062 -5.414 1.00 0.00 C ATOM 1380 NZ LYS A 94 -2.141 -15.227 -5.512 1.00 0.00 N ATOM 0 H LYS A 94 1.850 -14.787 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 94 0.906 -12.187 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.664 -15.063 -1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.946 -14.408 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.476 -12.549 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.796 -14.150 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.927 -14.307 -3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.766 -12.635 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.522 -13.260 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.201 -14.340 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.141 -15.589 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.823 -15.976 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.104 -14.931 -5.253 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.416 -13.475 1.198 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.393 -13.174 2.282 1.00 0.00 C ATOM 1396 C LYS A 95 -0.806 -12.124 3.227 1.00 0.00 C ATOM 1397 O LYS A 95 -1.515 -11.450 3.944 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.600 -14.505 3.007 1.00 0.00 C ATOM 1399 CG LYS A 95 -0.418 -14.775 3.942 1.00 0.00 C ATOM 1400 CD LYS A 95 -0.866 -14.608 5.396 1.00 0.00 C ATOM 1401 CE LYS A 95 0.300 -14.934 6.330 1.00 0.00 C ATOM 1402 NZ LYS A 95 -0.085 -16.208 6.998 1.00 0.00 N ATOM 0 H LYS A 95 0.208 -14.260 1.383 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.333 -12.773 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.528 -14.478 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.694 -15.314 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.037 -15.784 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.398 -14.087 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.208 -13.587 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.709 -15.266 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.231 -15.045 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.457 -14.138 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.667 -16.496 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.971 -16.070 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.220 -16.949 6.281 1.00 0.00 H new ATOM 1416 N GLU A 96 0.491 -11.986 3.224 1.00 0.00 N ATOM 1417 CA GLU A 96 1.147 -10.985 4.111 1.00 0.00 C ATOM 1418 C GLU A 96 1.335 -9.673 3.356 1.00 0.00 C ATOM 1419 O GLU A 96 1.103 -8.597 3.870 1.00 0.00 O ATOM 1420 CB GLU A 96 2.500 -11.607 4.448 1.00 0.00 C ATOM 1421 CG GLU A 96 3.385 -11.634 3.211 1.00 0.00 C ATOM 1422 CD GLU A 96 4.778 -12.136 3.598 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.861 -12.968 4.487 1.00 0.00 O ATOM 1424 OE2 GLU A 96 5.738 -11.679 2.999 1.00 0.00 O ATOM 0 H GLU A 96 1.129 -12.528 2.641 1.00 0.00 H new ATOM 0 HA GLU A 96 0.563 -10.760 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.985 -11.035 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.360 -12.619 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.949 -12.284 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.453 -10.637 2.776 1.00 0.00 H new ATOM 1431 N LEU A 97 1.763 -9.768 2.137 1.00 0.00 N ATOM 1432 CA LEU A 97 1.984 -8.547 1.314 1.00 0.00 C ATOM 1433 C LEU A 97 0.659 -8.020 0.758 1.00 0.00 C ATOM 1434 O LEU A 97 0.219 -6.942 1.104 1.00 0.00 O ATOM 1435 CB LEU A 97 2.899 -9.011 0.188 1.00 0.00 C ATOM 1436 CG LEU A 97 4.170 -9.610 0.788 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.243 -9.690 -0.289 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.665 -8.726 1.937 1.00 0.00 C ATOM 0 H LEU A 97 1.973 -10.648 1.666 1.00 0.00 H new ATOM 0 HA LEU A 97 2.417 -7.729 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.390 -9.752 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.149 -8.173 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 97 3.956 -10.609 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.152 -10.117 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.892 -10.321 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.454 -8.690 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.572 -9.156 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.880 -7.726 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.896 -8.666 2.707 1.00 0.00 H new ATOM 1450 N THR A 98 0.027 -8.756 -0.105 1.00 0.00 N ATOM 1451 CA THR A 98 -1.261 -8.273 -0.687 1.00 0.00 C ATOM 1452 C THR A 98 -2.443 -8.642 0.211 1.00 0.00 C ATOM 1453 O THR A 98 -3.519 -8.091 0.088 1.00 0.00 O ATOM 1454 CB THR A 98 -1.376 -8.978 -2.033 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.265 -10.381 -1.844 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.257 -8.494 -2.953 1.00 0.00 C ATOM 0 H THR A 98 0.340 -9.669 -0.435 1.00 0.00 H new ATOM 0 HA THR A 98 -1.276 -7.188 -0.786 1.00 0.00 H new ATOM 0 HB THR A 98 -2.342 -8.751 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.247 -10.581 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.336 -8.996 -3.917 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.344 -7.417 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.709 -8.723 -2.503 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.259 -9.564 1.110 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.382 -9.953 2.003 1.00 0.00 C ATOM 1466 C GLY A 99 -4.036 -8.692 2.566 1.00 0.00 C ATOM 1467 O GLY A 99 -3.393 -7.859 3.168 1.00 0.00 O ATOM 0 H GLY A 99 -1.383 -10.064 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.115 -10.541 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.016 -10.581 2.815 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.310 -8.540 2.365 1.00 0.00 N ATOM 1472 CA CYS A 100 -5.998 -7.327 2.887 1.00 0.00 C ATOM 1473 C CYS A 100 -6.439 -7.528 4.330 1.00 0.00 C ATOM 1474 O CYS A 100 -6.034 -6.818 5.216 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.240 -7.124 2.023 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.067 -7.961 0.418 1.00 0.00 S ATOM 0 H CYS A 100 -5.906 -9.199 1.864 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.324 -6.471 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.116 -7.509 2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.406 -6.058 1.865 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.302 -8.466 4.566 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.795 -8.671 5.956 1.00 0.00 C ATOM 1483 C LYS A 101 -7.012 -9.774 6.676 1.00 0.00 C ATOM 1484 O LYS A 101 -7.455 -10.301 7.676 1.00 0.00 O ATOM 1485 CB LYS A 101 -9.257 -9.076 5.795 1.00 0.00 C ATOM 1486 CG LYS A 101 -10.085 -7.859 5.381 1.00 0.00 C ATOM 1487 CD LYS A 101 -11.570 -8.227 5.382 1.00 0.00 C ATOM 1488 CE LYS A 101 -11.987 -8.673 6.785 1.00 0.00 C ATOM 1489 NZ LYS A 101 -13.390 -8.196 6.940 1.00 0.00 N ATOM 0 H LYS A 101 -7.688 -9.098 3.865 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.672 -7.772 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.347 -9.861 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.637 -9.485 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.904 -7.032 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.784 -7.521 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.167 -7.371 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.758 -9.026 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.925 -9.756 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.337 -8.241 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.746 -8.465 7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.418 -7.161 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.987 -8.629 6.207 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.860 -10.129 6.187 1.00 0.00 N ATOM 1504 CA GLY A 102 -5.071 -11.198 6.865 1.00 0.00 C ATOM 1505 C GLY A 102 -3.600 -11.097 6.460 1.00 0.00 C ATOM 1506 O GLY A 102 -2.948 -12.090 6.206 1.00 0.00 O ATOM 0 H GLY A 102 -5.430 -9.730 5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.167 -11.102 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.465 -12.178 6.596 1.00 0.00 H new ATOM 1510 N SER A 103 -3.073 -9.906 6.383 1.00 0.00 N ATOM 1511 CA SER A 103 -1.655 -9.749 5.981 1.00 0.00 C ATOM 1512 C SER A 103 -0.865 -8.964 7.030 1.00 0.00 C ATOM 1513 O SER A 103 -1.155 -9.002 8.209 1.00 0.00 O ATOM 1514 CB SER A 103 -1.730 -8.963 4.685 1.00 0.00 C ATOM 1515 OG SER A 103 -1.997 -7.598 4.977 1.00 0.00 O ATOM 0 H SER A 103 -3.567 -9.036 6.582 1.00 0.00 H new ATOM 0 HA SER A 103 -1.147 -10.708 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.792 -9.053 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.513 -9.370 4.045 1.00 0.00 H new ATOM 0 HG SER A 103 -2.578 -7.223 4.283 1.00 0.00 H new ATOM 1521 N LYS A 104 0.129 -8.248 6.590 1.00 0.00 N ATOM 1522 CA LYS A 104 0.958 -7.440 7.522 1.00 0.00 C ATOM 1523 C LYS A 104 0.529 -5.990 7.423 1.00 0.00 C ATOM 1524 O LYS A 104 0.698 -5.197 8.328 1.00 0.00 O ATOM 1525 CB LYS A 104 2.373 -7.587 6.984 1.00 0.00 C ATOM 1526 CG LYS A 104 2.820 -9.047 7.095 1.00 0.00 C ATOM 1527 CD LYS A 104 3.491 -9.274 8.451 1.00 0.00 C ATOM 1528 CE LYS A 104 3.643 -10.777 8.698 1.00 0.00 C ATOM 1529 NZ LYS A 104 4.705 -10.890 9.736 1.00 0.00 N ATOM 0 H LYS A 104 0.406 -8.188 5.610 1.00 0.00 H new ATOM 0 HA LYS A 104 0.869 -7.755 8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.412 -7.263 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.053 -6.945 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.962 -9.710 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.513 -9.288 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.468 -8.790 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.895 -8.822 9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.707 -11.218 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.926 -11.301 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.867 -11.893 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.586 -10.468 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.405 -10.388 10.596 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.005 -5.648 6.293 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.441 -4.259 6.046 1.00 0.00 C ATOM 1545 C CYS A 105 -1.796 -3.990 6.710 1.00 0.00 C ATOM 1546 O CYS A 105 -2.126 -2.867 7.032 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.557 -4.197 4.528 1.00 0.00 C ATOM 1548 SG CYS A 105 0.252 -2.698 3.913 1.00 0.00 S ATOM 0 H CYS A 105 -0.160 -6.288 5.514 1.00 0.00 H new ATOM 0 HA CYS A 105 0.243 -3.514 6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.097 -5.079 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.606 -4.202 4.234 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.582 -5.011 6.920 1.00 0.00 N ATOM 1554 CA HIS A 106 -3.913 -4.806 7.565 1.00 0.00 C ATOM 1555 C HIS A 106 -4.029 -5.665 8.826 1.00 0.00 C ATOM 1556 O HIS A 106 -4.637 -6.717 8.819 1.00 0.00 O ATOM 1557 CB HIS A 106 -4.930 -5.255 6.517 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.311 -4.087 5.649 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.356 -2.795 6.146 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.614 -3.988 4.308 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.662 -1.975 5.127 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.821 -2.644 3.981 1.00 0.00 N ATOM 0 H HIS A 106 -2.362 -5.976 6.674 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.069 -3.772 7.871 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.509 -6.053 5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.815 -5.662 7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.187 -2.516 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.681 -4.817 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.767 -0.904 5.222 1.00 0.00 H new ATOM 1570 N SER A 107 -3.450 -5.226 9.911 1.00 0.00 N ATOM 1571 CA SER A 107 -3.529 -6.018 11.171 1.00 0.00 C ATOM 1572 C SER A 107 -4.872 -5.771 11.865 1.00 0.00 C ATOM 1573 O SER A 107 -5.659 -5.004 11.334 1.00 0.00 O ATOM 1574 CB SER A 107 -2.378 -5.504 12.034 1.00 0.00 C ATOM 1575 OG SER A 107 -2.257 -6.324 13.190 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.089 -6.354 12.915 1.00 0.00 O ATOM 0 H SER A 107 -2.926 -4.353 9.979 1.00 0.00 H new ATOM 0 HA SER A 107 -3.456 -7.091 10.991 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.448 -5.517 11.466 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.560 -4.469 12.325 1.00 0.00 H new ATOM 0 HG SER A 107 -3.148 -6.606 13.486 1.00 0.00 H new TER 1582 SER A 107 HETATM 1583 FE HEC A 201 9.271 6.660 3.390 1.00 0.00 FE HETATM 1584 CHA HEC A 201 6.734 8.121 5.077 1.00 0.00 C HETATM 1585 CHB HEC A 201 11.376 9.030 4.555 1.00 0.00 C HETATM 1586 CHC HEC A 201 11.823 5.140 1.790 1.00 0.00 C HETATM 1587 CHD HEC A 201 7.160 4.324 2.258 1.00 0.00 C HETATM 1588 NA HEC A 201 9.087 8.227 4.510 1.00 0.00 N HETATM 1589 C1A HEC A 201 7.961 8.664 5.170 1.00 0.00 C HETATM 1590 C2A HEC A 201 8.228 9.723 6.077 1.00 0.00 C HETATM 1591 C3A HEC A 201 9.521 9.991 5.971 1.00 0.00 C HETATM 1592 C4A HEC A 201 10.062 9.096 4.954 1.00 0.00 C HETATM 1593 CMA HEC A 201 10.192 10.898 6.975 1.00 0.00 C HETATM 1594 CAA HEC A 201 7.254 10.356 7.056 1.00 0.00 C HETATM 1595 CBA HEC A 201 6.318 11.325 6.333 1.00 0.00 C HETATM 1596 CGA HEC A 201 6.585 12.750 6.820 1.00 0.00 C HETATM 1597 O1A HEC A 201 6.563 13.651 5.997 1.00 0.00 O HETATM 1598 O2A HEC A 201 6.807 12.919 8.008 1.00 0.00 O HETATM 1599 NB HEC A 201 11.163 7.007 3.207 1.00 0.00 N HETATM 1600 C1B HEC A 201 11.894 8.045 3.745 1.00 0.00 C HETATM 1601 C2B HEC A 201 13.288 7.941 3.387 1.00 0.00 C HETATM 1602 C3B HEC A 201 13.415 6.842 2.619 1.00 0.00 C HETATM 1603 C4B HEC A 201 12.099 6.273 2.507 1.00 0.00 C HETATM 1604 CMB HEC A 201 14.403 8.880 3.804 1.00 0.00 C HETATM 1605 CAB HEC A 201 14.693 6.289 2.006 1.00 0.00 C HETATM 1606 CBB HEC A 201 15.681 5.776 3.056 1.00 0.00 C HETATM 1607 NC HEC A 201 9.457 5.073 2.290 1.00 0.00 N HETATM 1608 C1C HEC A 201 10.589 4.570 1.694 1.00 0.00 C HETATM 1609 C2C HEC A 201 10.305 3.402 0.898 1.00 0.00 C HETATM 1610 C3C HEC A 201 8.981 3.204 0.999 1.00 0.00 C HETATM 1611 C4C HEC A 201 8.469 4.223 1.875 1.00 0.00 C HETATM 1612 CMC HEC A 201 11.299 2.571 0.104 1.00 0.00 C HETATM 1613 CAC HEC A 201 8.144 2.174 0.265 1.00 0.00 C HETATM 1614 CBC HEC A 201 8.723 0.758 0.299 1.00 0.00 C HETATM 1615 ND HEC A 201 7.379 6.317 3.608 1.00 0.00 N HETATM 1616 C1D HEC A 201 6.659 5.276 3.103 1.00 0.00 C HETATM 1617 C2D HEC A 201 5.312 5.293 3.593 1.00 0.00 C HETATM 1618 C3D HEC A 201 5.163 6.410 4.324 1.00 0.00 C HETATM 1619 C4D HEC A 201 6.455 7.020 4.343 1.00 0.00 C HETATM 1620 CMD HEC A 201 4.336 4.161 3.416 1.00 0.00 C HETATM 1621 CAD HEC A 201 3.917 6.973 4.986 1.00 0.00 C HETATM 1622 CBD HEC A 201 3.480 6.107 6.169 1.00 0.00 C HETATM 1623 CGD HEC A 201 2.619 4.948 5.668 1.00 0.00 C HETATM 1624 O1D HEC A 201 2.397 4.025 6.436 1.00 0.00 O HETATM 1625 O2D HEC A 201 2.197 5.000 4.525 1.00 0.00 O HETATM 0 HMD3 HEC A 201 4.183 3.975 2.353 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 4.732 3.262 3.888 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 3.385 4.425 3.879 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 11.782 3.199 -0.644 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 12.053 2.164 0.778 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 10.776 1.753 -0.392 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 14.185 9.886 3.446 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 14.482 8.891 4.891 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 15.345 8.539 3.376 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 9.719 11.880 6.952 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 10.094 10.471 7.973 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 11.248 10.999 6.725 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 4.355 5.723 6.694 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 2.918 6.708 6.884 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 9.710 0.757 -0.164 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 8.807 0.424 1.333 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 8.065 0.083 -0.248 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 15.958 6.592 3.724 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 15.216 4.977 3.633 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 16.573 5.394 2.560 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 6.473 11.262 5.256 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 5.279 11.053 6.522 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 4.111 7.989 5.328 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 3.109 7.031 4.257 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 6.671 9.579 7.551 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 7.804 10.885 7.834 1.00 0.00 H new HETATM 0 HHD HEC A 201 6.461 3.589 1.859 1.00 0.00 H new HETATM 0 HHC HEC A 201 12.646 4.661 1.260 1.00 0.00 H new HETATM 0 HHB HEC A 201 12.053 9.810 4.903 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.919 8.595 5.624 1.00 0.00 H new HETATM 1658 FE HEC A 202 3.002 8.409 -5.408 1.00 0.00 FE HETATM 1659 CHA HEC A 202 1.761 7.989 -8.500 1.00 0.00 C HETATM 1660 CHB HEC A 202 2.947 5.080 -5.012 1.00 0.00 C HETATM 1661 CHC HEC A 202 4.231 8.753 -2.306 1.00 0.00 C HETATM 1662 CHD HEC A 202 2.789 11.747 -5.768 1.00 0.00 C HETATM 1663 NA HEC A 202 2.460 6.908 -6.481 1.00 0.00 N HETATM 1664 C1A HEC A 202 1.843 6.919 -7.693 1.00 0.00 C HETATM 1665 C2A HEC A 202 1.273 5.655 -8.006 1.00 0.00 C HETATM 1666 C3A HEC A 202 1.638 4.814 -7.047 1.00 0.00 C HETATM 1667 C4A HEC A 202 2.405 5.589 -6.128 1.00 0.00 C HETATM 1668 CMA HEC A 202 1.260 3.352 -6.933 1.00 0.00 C HETATM 1669 CAA HEC A 202 0.430 5.307 -9.198 1.00 0.00 C HETATM 1670 CBA HEC A 202 -0.684 6.317 -9.474 1.00 0.00 C HETATM 1671 CGA HEC A 202 -1.395 5.945 -10.776 1.00 0.00 C HETATM 1672 O1A HEC A 202 -1.243 4.814 -11.210 1.00 0.00 O HETATM 1673 O2A HEC A 202 -2.080 6.797 -11.319 1.00 0.00 O HETATM 1674 NB HEC A 202 3.569 7.197 -4.037 1.00 0.00 N HETATM 1675 C1B HEC A 202 3.514 5.824 -4.041 1.00 0.00 C HETATM 1676 C2B HEC A 202 3.911 5.248 -2.798 1.00 0.00 C HETATM 1677 C3B HEC A 202 4.184 6.271 -1.993 1.00 0.00 C HETATM 1678 C4B HEC A 202 4.013 7.484 -2.768 1.00 0.00 C HETATM 1679 CMB HEC A 202 4.007 3.771 -2.457 1.00 0.00 C HETATM 1680 CAB HEC A 202 4.533 6.096 -0.534 1.00 0.00 C HETATM 1681 CBB HEC A 202 6.042 5.998 -0.322 1.00 0.00 C HETATM 1682 NC HEC A 202 3.479 9.920 -4.307 1.00 0.00 N HETATM 1683 C1C HEC A 202 4.010 9.897 -3.037 1.00 0.00 C HETATM 1684 C2C HEC A 202 4.168 11.224 -2.512 1.00 0.00 C HETATM 1685 C3C HEC A 202 3.669 12.062 -3.445 1.00 0.00 C HETATM 1686 C4C HEC A 202 3.291 11.255 -4.579 1.00 0.00 C HETATM 1687 CMC HEC A 202 4.783 11.597 -1.172 1.00 0.00 C HETATM 1688 CAC HEC A 202 3.375 13.524 -3.232 1.00 0.00 C HETATM 1689 CBC HEC A 202 4.646 14.356 -3.039 1.00 0.00 C HETATM 1690 ND HEC A 202 2.413 9.600 -6.824 1.00 0.00 N HETATM 1691 C1D HEC A 202 2.393 10.974 -6.839 1.00 0.00 C HETATM 1692 C2D HEC A 202 2.094 11.466 -8.176 1.00 0.00 C HETATM 1693 C3D HEC A 202 1.953 10.377 -8.961 1.00 0.00 C HETATM 1694 C4D HEC A 202 2.067 9.251 -8.103 1.00 0.00 C HETATM 1695 CMD HEC A 202 1.964 12.904 -8.642 1.00 0.00 C HETATM 1696 CAD HEC A 202 1.900 10.261 -10.474 1.00 0.00 C HETATM 1697 CBD HEC A 202 3.203 10.764 -11.094 1.00 0.00 C HETATM 1698 CGD HEC A 202 3.059 10.814 -12.616 1.00 0.00 C HETATM 1699 O1D HEC A 202 4.044 10.570 -13.293 1.00 0.00 O HETATM 1700 O2D HEC A 202 1.966 11.096 -13.079 1.00 0.00 O HETATM 0 HMD3 HEC A 202 1.163 13.395 -8.089 1.00 0.00 H new HETATM 0 HMD2 HEC A 202 2.902 13.430 -8.465 1.00 0.00 H new HETATM 0 HMD1 HEC A 202 1.733 12.922 -9.707 1.00 0.00 H new HETATM 0 HMC3 HEC A 202 4.212 11.133 -0.368 1.00 0.00 H new HETATM 0 HMC2 HEC A 202 5.814 11.246 -1.134 1.00 0.00 H new HETATM 0 HMC1 HEC A 202 4.764 12.680 -1.052 1.00 0.00 H new HETATM 0 HMB3 HEC A 202 3.029 3.306 -2.576 1.00 0.00 H new HETATM 0 HMB2 HEC A 202 4.721 3.289 -3.124 1.00 0.00 H new HETATM 0 HMB1 HEC A 202 4.340 3.657 -1.425 1.00 0.00 H new HETATM 0 HMA3 HEC A 202 0.176 3.260 -6.870 1.00 0.00 H new HETATM 0 HMA2 HEC A 202 1.619 2.814 -7.810 1.00 0.00 H new HETATM 0 HMA1 HEC A 202 1.713 2.928 -6.037 1.00 0.00 H new HETATM 0 HBD2 HEC A 202 3.443 11.755 -10.708 1.00 0.00 H new HETATM 0 HBD1 HEC A 202 4.027 10.106 -10.818 1.00 0.00 H new HETATM 0 HBC3 HEC A 202 5.190 13.993 -2.167 1.00 0.00 H new HETATM 0 HBC2 HEC A 202 5.277 14.266 -3.923 1.00 0.00 H new HETATM 0 HBC1 HEC A 202 4.377 15.402 -2.890 1.00 0.00 H new HETATM 0 HBB3 HEC A 202 6.432 5.142 -0.873 1.00 0.00 H new HETATM 0 HBB2 HEC A 202 6.520 6.909 -0.682 1.00 0.00 H new HETATM 0 HBB1 HEC A 202 6.253 5.873 0.740 1.00 0.00 H new HETATM 0 HBA2 HEC A 202 -1.395 6.326 -8.648 1.00 0.00 H new HETATM 0 HBA1 HEC A 202 -0.269 7.322 -9.548 1.00 0.00 H new HETATM 0 HAD2 HEC A 202 1.731 9.223 -10.760 1.00 0.00 H new HETATM 0 HAD1 HEC A 202 1.060 10.838 -10.860 1.00 0.00 H new HETATM 0 HAA2 HEC A 202 1.070 5.235 -10.077 1.00 0.00 H new HETATM 0 HAA1 HEC A 202 -0.013 4.323 -9.045 1.00 0.00 H new HETATM 0 HHD HEC A 202 2.699 12.829 -5.867 1.00 0.00 H new HETATM 0 HHC HEC A 202 4.606 8.865 -1.289 1.00 0.00 H new HETATM 0 HHB HEC A 202 2.928 3.998 -4.882 1.00 0.00 H new HETATM 0 HHA HEC A 202 1.431 7.837 -9.528 1.00 0.00 H new HETATM 1733 FE HEC A 203 5.833 -3.445 2.098 1.00 0.00 FE HETATM 1734 CHA HEC A 203 6.743 -6.056 4.033 1.00 0.00 C HETATM 1735 CHB HEC A 203 3.629 -2.451 4.433 1.00 0.00 C HETATM 1736 CHC HEC A 203 4.979 -0.787 0.206 1.00 0.00 C HETATM 1737 CHD HEC A 203 8.190 -4.302 -0.170 1.00 0.00 C HETATM 1738 NA HEC A 203 5.302 -4.107 3.848 1.00 0.00 N HETATM 1739 C1A HEC A 203 5.759 -5.223 4.510 1.00 0.00 C HETATM 1740 C2A HEC A 203 5.051 -5.410 5.754 1.00 0.00 C HETATM 1741 C3A HEC A 203 4.171 -4.405 5.860 1.00 0.00 C HETATM 1742 C4A HEC A 203 4.334 -3.597 4.682 1.00 0.00 C HETATM 1743 CMA HEC A 203 3.189 -4.196 6.998 1.00 0.00 C HETATM 1744 CAA HEC A 203 5.209 -6.524 6.766 1.00 0.00 C HETATM 1745 CBA HEC A 203 6.673 -6.948 6.906 1.00 0.00 C HETATM 1746 CGA HEC A 203 6.984 -7.229 8.378 1.00 0.00 C HETATM 1747 O1A HEC A 203 6.275 -6.709 9.223 1.00 0.00 O HETATM 1748 O2A HEC A 203 7.927 -7.961 8.634 1.00 0.00 O HETATM 1749 NB HEC A 203 4.637 -1.923 2.312 1.00 0.00 N HETATM 1750 C1B HEC A 203 3.800 -1.645 3.359 1.00 0.00 C HETATM 1751 C2B HEC A 203 3.040 -0.441 3.148 1.00 0.00 C HETATM 1752 C3B HEC A 203 3.389 -0.013 1.932 1.00 0.00 C HETATM 1753 C4B HEC A 203 4.390 -0.909 1.431 1.00 0.00 C HETATM 1754 CMB HEC A 203 2.052 0.203 4.107 1.00 0.00 C HETATM 1755 CAB HEC A 203 2.761 1.092 1.128 1.00 0.00 C HETATM 1756 CBB HEC A 203 3.400 2.461 1.373 1.00 0.00 C HETATM 1757 NC HEC A 203 6.425 -2.727 0.393 1.00 0.00 N HETATM 1758 C1C HEC A 203 5.934 -1.634 -0.283 1.00 0.00 C HETATM 1759 C2C HEC A 203 6.575 -1.463 -1.557 1.00 0.00 C HETATM 1760 C3C HEC A 203 7.478 -2.453 -1.657 1.00 0.00 C HETATM 1761 C4C HEC A 203 7.398 -3.219 -0.443 1.00 0.00 C HETATM 1762 CMC HEC A 203 6.288 -0.382 -2.586 1.00 0.00 C HETATM 1763 CAC HEC A 203 8.386 -2.717 -2.836 1.00 0.00 C HETATM 1764 CBC HEC A 203 8.921 -1.392 -3.380 1.00 0.00 C HETATM 1765 ND HEC A 203 7.143 -4.890 1.942 1.00 0.00 N HETATM 1766 C1D HEC A 203 8.078 -5.086 0.950 1.00 0.00 C HETATM 1767 C2D HEC A 203 8.938 -6.206 1.252 1.00 0.00 C HETATM 1768 C3D HEC A 203 8.504 -6.723 2.413 1.00 0.00 C HETATM 1769 C4D HEC A 203 7.397 -5.901 2.838 1.00 0.00 C HETATM 1770 CMD HEC A 203 10.149 -6.680 0.470 1.00 0.00 C HETATM 1771 CAD HEC A 203 9.094 -7.924 3.132 1.00 0.00 C HETATM 1772 CBD HEC A 203 8.748 -9.224 2.404 1.00 0.00 C HETATM 1773 CGD HEC A 203 9.274 -10.415 3.206 1.00 0.00 C HETATM 1774 O1D HEC A 203 9.326 -11.500 2.652 1.00 0.00 O HETATM 1775 O2D HEC A 203 9.617 -10.222 4.361 1.00 0.00 O HETATM 0 HMD3 HEC A 203 9.847 -6.946 -0.543 1.00 0.00 H new HETATM 0 HMD2 HEC A 203 10.891 -5.882 0.429 1.00 0.00 H new HETATM 0 HMD1 HEC A 203 10.581 -7.552 0.961 1.00 0.00 H new HETATM 0 HMC3 HEC A 203 5.247 -0.448 -2.902 1.00 0.00 H new HETATM 0 HMC2 HEC A 203 6.472 0.598 -2.145 1.00 0.00 H new HETATM 0 HMC1 HEC A 203 6.939 -0.520 -3.449 1.00 0.00 H new HETATM 0 HMB3 HEC A 203 1.243 -0.496 4.320 1.00 0.00 H new HETATM 0 HMB2 HEC A 203 2.562 0.462 5.035 1.00 0.00 H new HETATM 0 HMB1 HEC A 203 1.642 1.106 3.655 1.00 0.00 H new HETATM 0 HMA3 HEC A 203 2.523 -5.056 7.066 1.00 0.00 H new HETATM 0 HMA2 HEC A 203 3.736 -4.085 7.935 1.00 0.00 H new HETATM 0 HMA1 HEC A 203 2.602 -3.296 6.812 1.00 0.00 H new HETATM 0 HBD2 HEC A 203 7.668 -9.306 2.277 1.00 0.00 H new HETATM 0 HBD1 HEC A 203 9.187 -9.222 1.406 1.00 0.00 H new HETATM 0 HBC3 HEC A 203 8.087 -0.766 -3.699 1.00 0.00 H new HETATM 0 HBC2 HEC A 203 9.482 -0.878 -2.599 1.00 0.00 H new HETATM 0 HBC1 HEC A 203 9.575 -1.585 -4.230 1.00 0.00 H new HETATM 0 HBB3 HEC A 203 3.301 2.726 2.426 1.00 0.00 H new HETATM 0 HBB2 HEC A 203 4.456 2.422 1.107 1.00 0.00 H new HETATM 0 HBB1 HEC A 203 2.899 3.211 0.761 1.00 0.00 H new HETATM 0 HBA2 HEC A 203 6.864 -7.838 6.307 1.00 0.00 H new HETATM 0 HBA1 HEC A 203 7.328 -6.163 6.528 1.00 0.00 H new HETATM 0 HAD2 HEC A 203 10.177 -7.817 3.198 1.00 0.00 H new HETATM 0 HAD1 HEC A 203 8.715 -7.963 4.153 1.00 0.00 H new HETATM 0 HAA2 HEC A 203 4.830 -6.195 7.734 1.00 0.00 H new HETATM 0 HAA1 HEC A 203 4.608 -7.381 6.463 1.00 0.00 H new HETATM 0 HHD HEC A 203 8.964 -4.559 -0.893 1.00 0.00 H new HETATM 0 HHC HEC A 203 4.666 0.044 -0.427 1.00 0.00 H new HETATM 0 HHB HEC A 203 2.868 -2.164 5.158 1.00 0.00 H new HETATM 0 HHA HEC A 203 7.025 -6.906 4.654 1.00 0.00 H new HETATM 1808 FE HEC A 204 -5.739 -1.704 2.069 1.00 0.00 FE HETATM 1809 CHA HEC A 204 -6.487 1.288 3.458 1.00 0.00 C HETATM 1810 CHB HEC A 204 -8.913 -2.042 1.093 1.00 0.00 C HETATM 1811 CHC HEC A 204 -4.993 -4.802 0.966 1.00 0.00 C HETATM 1812 CHD HEC A 204 -2.465 -1.094 2.545 1.00 0.00 C HETATM 1813 NA HEC A 204 -7.360 -0.704 2.383 1.00 0.00 N HETATM 1814 C1A HEC A 204 -7.513 0.503 3.023 1.00 0.00 C HETATM 1815 C2A HEC A 204 -8.846 1.011 2.902 1.00 0.00 C HETATM 1816 C3A HEC A 204 -9.525 0.126 2.142 1.00 0.00 C HETATM 1817 C4A HEC A 204 -8.604 -0.950 1.858 1.00 0.00 C HETATM 1818 CMA HEC A 204 -10.925 0.283 1.574 1.00 0.00 C HETATM 1819 CAA HEC A 204 -9.346 2.316 3.501 1.00 0.00 C HETATM 1820 CBA HEC A 204 -10.133 3.115 2.464 1.00 0.00 C HETATM 1821 CGA HEC A 204 -10.770 4.333 3.136 1.00 0.00 C HETATM 1822 O1A HEC A 204 -11.428 4.150 4.147 1.00 0.00 O HETATM 1823 O2A HEC A 204 -10.588 5.427 2.630 1.00 0.00 O HETATM 1824 NB HEC A 204 -6.731 -3.108 1.221 1.00 0.00 N HETATM 1825 C1B HEC A 204 -8.039 -3.062 0.787 1.00 0.00 C HETATM 1826 C2B HEC A 204 -8.368 -4.220 -0.012 1.00 0.00 C HETATM 1827 C3B HEC A 204 -7.259 -4.986 -0.012 1.00 0.00 C HETATM 1828 C4B HEC A 204 -6.263 -4.311 0.760 1.00 0.00 C HETATM 1829 CMB HEC A 204 -9.696 -4.530 -0.684 1.00 0.00 C HETATM 1830 CAB HEC A 204 -7.082 -6.401 -0.494 1.00 0.00 C HETATM 1831 CBB HEC A 204 -6.534 -6.453 -1.915 1.00 0.00 C HETATM 1832 NC HEC A 204 -4.107 -2.710 1.784 1.00 0.00 N HETATM 1833 C1C HEC A 204 -3.974 -4.037 1.446 1.00 0.00 C HETATM 1834 C2C HEC A 204 -2.618 -4.501 1.590 1.00 0.00 C HETATM 1835 C3C HEC A 204 -1.916 -3.419 1.958 1.00 0.00 C HETATM 1836 C4C HEC A 204 -2.826 -2.319 2.053 1.00 0.00 C HETATM 1837 CMC HEC A 204 -2.113 -5.931 1.466 1.00 0.00 C HETATM 1838 CAC HEC A 204 -0.479 -3.350 2.396 1.00 0.00 C HETATM 1839 CBC HEC A 204 0.497 -3.369 1.218 1.00 0.00 C HETATM 1840 ND HEC A 204 -4.711 -0.221 2.780 1.00 0.00 N HETATM 1841 C1D HEC A 204 -3.344 -0.099 2.870 1.00 0.00 C HETATM 1842 C2D HEC A 204 -2.957 1.175 3.430 1.00 0.00 C HETATM 1843 C3D HEC A 204 -4.101 1.829 3.702 1.00 0.00 C HETATM 1844 C4D HEC A 204 -5.172 0.960 3.315 1.00 0.00 C HETATM 1845 CMD HEC A 204 -1.541 1.673 3.667 1.00 0.00 C HETATM 1846 CAD HEC A 204 -4.257 3.220 4.291 1.00 0.00 C HETATM 1847 CBD HEC A 204 -3.796 3.240 5.745 1.00 0.00 C HETATM 1848 CGD HEC A 204 -4.591 4.295 6.516 1.00 0.00 C HETATM 1849 O1D HEC A 204 -5.553 3.924 7.167 1.00 0.00 O HETATM 1850 O2D HEC A 204 -4.224 5.455 6.440 1.00 0.00 O HETATM 0 HMD3 HEC A 204 -1.027 0.997 4.351 1.00 0.00 H new HETATM 0 HMD2 HEC A 204 -1.004 1.707 2.719 1.00 0.00 H new HETATM 0 HMD1 HEC A 204 -1.575 2.672 4.101 1.00 0.00 H new HETATM 0 HMC3 HEC A 204 -2.605 -6.557 2.211 1.00 0.00 H new HETATM 0 HMC2 HEC A 204 -2.336 -6.310 0.469 1.00 0.00 H new HETATM 0 HMC1 HEC A 204 -1.036 -5.952 1.630 1.00 0.00 H new HETATM 0 HMB3 HEC A 204 -10.480 -4.594 0.071 1.00 0.00 H new HETATM 0 HMB2 HEC A 204 -9.939 -3.738 -1.393 1.00 0.00 H new HETATM 0 HMB1 HEC A 204 -9.623 -5.480 -1.213 1.00 0.00 H new HETATM 0 HMA3 HEC A 204 -11.636 0.415 2.390 1.00 0.00 H new HETATM 0 HMA2 HEC A 204 -10.957 1.155 0.921 1.00 0.00 H new HETATM 0 HMA1 HEC A 204 -11.188 -0.608 1.003 1.00 0.00 H new HETATM 0 HBD2 HEC A 204 -3.939 2.259 6.197 1.00 0.00 H new HETATM 0 HBD1 HEC A 204 -2.730 3.462 5.797 1.00 0.00 H new HETATM 0 HBC3 HEC A 204 0.364 -4.290 0.650 1.00 0.00 H new HETATM 0 HBC2 HEC A 204 0.303 -2.513 0.571 1.00 0.00 H new HETATM 0 HBC1 HEC A 204 1.520 -3.317 1.592 1.00 0.00 H new HETATM 0 HBB3 HEC A 204 -7.224 -5.947 -2.590 1.00 0.00 H new HETATM 0 HBB2 HEC A 204 -5.564 -5.957 -1.949 1.00 0.00 H new HETATM 0 HBB1 HEC A 204 -6.421 -7.492 -2.224 1.00 0.00 H new HETATM 0 HBA2 HEC A 204 -9.473 3.435 1.658 1.00 0.00 H new HETATM 0 HBA1 HEC A 204 -10.904 2.489 2.015 1.00 0.00 H new HETATM 0 HAD2 HEC A 204 -3.675 3.935 3.709 1.00 0.00 H new HETATM 0 HAD1 HEC A 204 -5.299 3.532 4.230 1.00 0.00 H new HETATM 0 HAA2 HEC A 204 -9.978 2.108 4.364 1.00 0.00 H new HETATM 0 HAA1 HEC A 204 -8.502 2.906 3.859 1.00 0.00 H new HETATM 0 HHD HEC A 204 -1.402 -0.898 2.688 1.00 0.00 H new HETATM 0 HHC HEC A 204 -4.795 -5.849 0.735 1.00 0.00 H new HETATM 0 HHB HEC A 204 -9.926 -2.110 0.696 1.00 0.00 H new HETATM 0 HHA HEC A 204 -6.732 2.231 3.947 1.00 0.00 H new