USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 65 TYR OH : rot -142:sc= 0.378 USER MOD Set 1.2: A 111 HEC O2D : rot 88:sc= 0.616 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -145:sc= 0.15 (180deg=-0.202) USER MOD Set 2.2: A 73 ASN : amide:sc= 0.148 K(o=0.3,f=-0.5) USER MOD Set 3.1: A 67 HIS : no HE2:sc= -4! C(o=-2.7!,f=-11!) USER MOD Set 3.2: A 109 HEC O2A : rot -44:sc= 1.35 USER MOD Set 4.1: A 57 LYS NZ :NH3+ 151:sc= -0.779! (180deg=-2.44!) USER MOD Set 4.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -149:sc= -0.027 (180deg=-0.541) 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 178:sc= -0.596 (180deg=-0.627) USER MOD Single : A 14 THR OG1 : rot -79:sc= -1.24 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.6! C(o=-7.6!,f=-9.3!) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 28:sc= -0.895 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -54:sc= 0.077 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -3.49! C(o=-5.3!,f=-3.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0.919 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 171:sc= -1.85! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -174:sc= -0.057 (180deg=-0.136) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.609 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -168:sc= -7.53! (180deg=-9.62!) USER MOD Single : A 74 THR OG1 : rot 121:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 150:sc= -3.11! USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= -4.37! (180deg=-4.91!) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0.0133 (180deg=0.0086) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -2:sc= -1.13! USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= -0.0844 (180deg=-1.06) USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0366) USER MOD Single : A 103 SER OG : rot 79:sc= 0.859 USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= -0.0411 (180deg=-0.148) USER MOD Single : A 108 HEC O2A : rot 180:sc= 0 USER MOD Single : A 108 HEC O2D : rot 70:sc= 1.2 USER MOD Single : A 109 HEC O2D : rot 180:sc= 0 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot 165:sc=-0.000387 USER MOD Single : A 111 HEC O2A : rot 180:sc= -0.144 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.696 -14.614 -1.797 1.00 0.00 N ATOM 2 CA ALA A 1 -1.773 -13.239 -2.259 1.00 0.00 C ATOM 3 C ALA A 1 -2.141 -13.224 -3.744 1.00 0.00 C ATOM 4 O ALA A 1 -1.289 -13.142 -4.626 1.00 0.00 O ATOM 5 CB ALA A 1 -0.445 -12.531 -1.980 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.969 -14.659 -0.794 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.341 -15.206 -2.359 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.723 -14.963 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.551 -12.697 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.503 -11.499 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.244 -12.543 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.359 -13.046 -2.506 1.00 0.00 H new ATOM 13 N PRO A 2 -3.448 -13.306 -4.002 1.00 0.00 N ATOM 14 CA PRO A 2 -4.018 -13.307 -5.332 1.00 0.00 C ATOM 15 C PRO A 2 -3.352 -12.228 -6.174 1.00 0.00 C ATOM 16 O PRO A 2 -3.018 -11.175 -5.633 1.00 0.00 O ATOM 17 CB PRO A 2 -5.500 -13.002 -5.123 1.00 0.00 C ATOM 18 CG PRO A 2 -5.776 -13.605 -3.765 1.00 0.00 C ATOM 19 CD PRO A 2 -4.476 -13.405 -2.989 1.00 0.00 C ATOM 0 HA PRO A 2 -3.874 -14.252 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.699 -11.930 -5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.119 -13.452 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.613 -13.109 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.033 -14.661 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.516 -12.504 -2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.286 -14.240 -2.314 1.00 0.00 H new ATOM 27 N LYS A 3 -3.172 -12.502 -7.458 1.00 0.00 N ATOM 28 CA LYS A 3 -2.544 -11.541 -8.348 1.00 0.00 C ATOM 29 C LYS A 3 -3.445 -10.311 -8.481 1.00 0.00 C ATOM 30 O LYS A 3 -4.669 -10.434 -8.508 1.00 0.00 O ATOM 31 CB LYS A 3 -2.197 -12.197 -9.686 1.00 0.00 C ATOM 32 CG LYS A 3 -1.052 -13.198 -9.525 1.00 0.00 C ATOM 33 CD LYS A 3 0.206 -12.714 -10.249 1.00 0.00 C ATOM 34 CE LYS A 3 0.436 -13.506 -11.537 1.00 0.00 C ATOM 35 NZ LYS A 3 1.672 -13.051 -12.212 1.00 0.00 N ATOM 0 H LYS A 3 -3.450 -13.377 -7.903 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.596 -11.199 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.075 -12.705 -10.085 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.916 -11.431 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.835 -13.340 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.354 -14.168 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.110 -11.654 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.071 -12.820 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.510 -14.569 -11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.417 -13.382 -12.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.813 -13.599 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.588 -12.041 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.485 -13.192 -11.579 1.00 0.00 H new ATOM 49 N ALA A 4 -2.805 -9.154 -8.560 1.00 0.00 N ATOM 50 CA ALA A 4 -3.533 -7.904 -8.690 1.00 0.00 C ATOM 51 C ALA A 4 -4.737 -8.112 -9.611 1.00 0.00 C ATOM 52 O ALA A 4 -4.623 -8.153 -10.834 1.00 0.00 O ATOM 53 CB ALA A 4 -2.589 -6.814 -9.202 1.00 0.00 C ATOM 0 H ALA A 4 -1.790 -9.056 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.912 -7.579 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.135 -5.876 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.767 -6.684 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.191 -7.105 -10.174 1.00 0.00 H new ATOM 59 N PRO A 5 -5.909 -8.246 -8.986 1.00 0.00 N ATOM 60 CA PRO A 5 -7.174 -8.450 -9.659 1.00 0.00 C ATOM 61 C PRO A 5 -7.273 -7.513 -10.854 1.00 0.00 C ATOM 62 O PRO A 5 -6.521 -6.541 -10.911 1.00 0.00 O ATOM 63 CB PRO A 5 -8.233 -8.115 -8.611 1.00 0.00 C ATOM 64 CG PRO A 5 -7.544 -8.560 -7.315 1.00 0.00 C ATOM 65 CD PRO A 5 -6.078 -8.203 -7.550 1.00 0.00 C ATOM 0 HA PRO A 5 -7.294 -9.464 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.476 -7.053 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.165 -8.654 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.949 -8.041 -6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.674 -9.628 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.844 -7.215 -7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.415 -8.911 -7.053 1.00 0.00 H new ATOM 73 N ALA A 6 -8.180 -7.815 -11.772 1.00 0.00 N ATOM 74 CA ALA A 6 -8.354 -6.986 -12.953 1.00 0.00 C ATOM 75 C ALA A 6 -9.085 -5.700 -12.564 1.00 0.00 C ATOM 76 O ALA A 6 -10.010 -5.727 -11.753 1.00 0.00 O ATOM 77 CB ALA A 6 -9.101 -7.779 -14.027 1.00 0.00 C ATOM 0 H ALA A 6 -8.802 -8.622 -11.722 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.387 -6.703 -13.370 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.232 -7.158 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.527 -8.668 -14.289 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.078 -8.077 -13.646 1.00 0.00 H new ATOM 83 N ASP A 7 -8.643 -4.602 -13.161 1.00 0.00 N ATOM 84 CA ASP A 7 -9.244 -3.308 -12.887 1.00 0.00 C ATOM 85 C ASP A 7 -10.768 -3.445 -12.898 1.00 0.00 C ATOM 86 O ASP A 7 -11.300 -4.464 -13.336 1.00 0.00 O ATOM 87 CB ASP A 7 -8.854 -2.283 -13.955 1.00 0.00 C ATOM 88 CG ASP A 7 -7.455 -2.465 -14.545 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.602 -3.023 -13.821 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.269 -2.042 -15.706 1.00 0.00 O ATOM 0 H ASP A 7 -7.876 -4.582 -13.833 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.887 -2.970 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.582 -2.329 -14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.922 -1.285 -13.522 1.00 0.00 H new ATOM 95 N GLY A 8 -11.427 -2.405 -12.409 1.00 0.00 N ATOM 96 CA GLY A 8 -12.879 -2.396 -12.357 1.00 0.00 C ATOM 97 C GLY A 8 -13.375 -2.365 -10.910 1.00 0.00 C ATOM 98 O GLY A 8 -14.502 -2.769 -10.628 1.00 0.00 O ATOM 0 H GLY A 8 -10.982 -1.562 -12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.260 -1.528 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.270 -3.280 -12.861 1.00 0.00 H new ATOM 102 N LEU A 9 -12.509 -1.883 -10.031 1.00 0.00 N ATOM 103 CA LEU A 9 -12.845 -1.793 -8.620 1.00 0.00 C ATOM 104 C LEU A 9 -13.054 -0.326 -8.242 1.00 0.00 C ATOM 105 O LEU A 9 -12.169 0.504 -8.447 1.00 0.00 O ATOM 106 CB LEU A 9 -11.788 -2.503 -7.772 1.00 0.00 C ATOM 107 CG LEU A 9 -10.958 -1.609 -6.849 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.771 -1.176 -5.628 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.649 -2.295 -6.452 1.00 0.00 C ATOM 0 H LEU A 9 -11.574 -1.550 -10.269 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.783 -2.310 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.286 -3.257 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.109 -3.031 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.694 -0.705 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.157 -0.542 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.650 -0.620 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.086 -2.057 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.078 -1.638 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.870 -3.226 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.065 -2.510 -7.347 1.00 0.00 H new ATOM 121 N LYS A 10 -14.229 -0.050 -7.696 1.00 0.00 N ATOM 122 CA LYS A 10 -14.565 1.304 -7.287 1.00 0.00 C ATOM 123 C LYS A 10 -15.168 1.272 -5.881 1.00 0.00 C ATOM 124 O LYS A 10 -16.014 0.429 -5.584 1.00 0.00 O ATOM 125 CB LYS A 10 -15.465 1.970 -8.328 1.00 0.00 C ATOM 126 CG LYS A 10 -16.909 1.481 -8.198 1.00 0.00 C ATOM 127 CD LYS A 10 -17.055 0.055 -8.732 1.00 0.00 C ATOM 128 CE LYS A 10 -18.376 -0.116 -9.485 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.611 -1.543 -9.803 1.00 0.00 N ATOM 0 H LYS A 10 -14.960 -0.741 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.668 1.921 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.431 3.052 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.092 1.752 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.215 1.515 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.574 2.148 -8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.222 -0.176 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.009 -0.653 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.198 0.268 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.356 0.469 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.512 -1.641 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.835 -1.899 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.652 -2.093 -8.921 1.00 0.00 H new ATOM 143 N MET A 11 -14.711 2.201 -5.054 1.00 0.00 N ATOM 144 CA MET A 11 -15.196 2.289 -3.687 1.00 0.00 C ATOM 145 C MET A 11 -16.224 3.413 -3.542 1.00 0.00 C ATOM 146 O MET A 11 -15.903 4.583 -3.743 1.00 0.00 O ATOM 147 CB MET A 11 -14.019 2.549 -2.744 1.00 0.00 C ATOM 148 CG MET A 11 -12.784 1.756 -3.177 1.00 0.00 C ATOM 149 SD MET A 11 -12.078 0.911 -1.772 1.00 0.00 S ATOM 150 CE MET A 11 -11.137 2.244 -1.049 1.00 0.00 C ATOM 0 H MET A 11 -14.010 2.899 -5.304 1.00 0.00 H new ATOM 0 HA MET A 11 -15.678 1.346 -3.430 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.786 3.614 -2.732 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.295 2.272 -1.727 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.057 1.034 -3.947 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.046 2.427 -3.617 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.657 1.896 -0.134 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.376 2.577 -1.755 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.803 3.075 -0.816 1.00 0.00 H new ATOM 160 N GLU A 12 -17.440 3.018 -3.194 1.00 0.00 N ATOM 161 CA GLU A 12 -18.518 3.977 -3.020 1.00 0.00 C ATOM 162 C GLU A 12 -19.462 3.518 -1.907 1.00 0.00 C ATOM 163 O GLU A 12 -20.662 3.362 -2.131 1.00 0.00 O ATOM 164 CB GLU A 12 -19.278 4.191 -4.330 1.00 0.00 C ATOM 165 CG GLU A 12 -19.940 2.894 -4.799 1.00 0.00 C ATOM 166 CD GLU A 12 -21.359 3.156 -5.307 1.00 0.00 C ATOM 167 OE1 GLU A 12 -21.601 4.299 -5.753 1.00 0.00 O ATOM 168 OE2 GLU A 12 -22.170 2.207 -5.239 1.00 0.00 O ATOM 0 H GLU A 12 -17.703 2.047 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.084 4.934 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.037 4.961 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.593 4.552 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.343 2.443 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.970 2.179 -3.977 1.00 0.00 H new ATOM 175 N ALA A 13 -18.885 3.314 -0.732 1.00 0.00 N ATOM 176 CA ALA A 13 -19.660 2.876 0.416 1.00 0.00 C ATOM 177 C ALA A 13 -20.365 4.082 1.041 1.00 0.00 C ATOM 178 O ALA A 13 -21.483 3.962 1.539 1.00 0.00 O ATOM 179 CB ALA A 13 -18.743 2.159 1.409 1.00 0.00 C ATOM 0 H ALA A 13 -17.890 3.444 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.429 2.166 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.325 1.831 2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.290 1.293 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.960 2.842 1.739 1.00 0.00 H new ATOM 185 N THR A 14 -19.682 5.216 0.993 1.00 0.00 N ATOM 186 CA THR A 14 -20.229 6.443 1.548 1.00 0.00 C ATOM 187 C THR A 14 -20.992 7.220 0.474 1.00 0.00 C ATOM 188 O THR A 14 -21.441 6.642 -0.515 1.00 0.00 O ATOM 189 CB THR A 14 -19.076 7.235 2.169 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.493 7.922 1.065 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.953 6.332 2.681 1.00 0.00 C ATOM 0 H THR A 14 -18.755 5.311 0.579 1.00 0.00 H new ATOM 0 HA THR A 14 -20.958 6.234 2.331 1.00 0.00 H new ATOM 0 HB THR A 14 -19.455 7.843 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.914 7.308 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.161 6.945 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.346 5.659 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.550 5.747 1.854 1.00 0.00 H new ATOM 199 N LYS A 15 -21.115 8.519 0.704 1.00 0.00 N ATOM 200 CA LYS A 15 -21.816 9.382 -0.231 1.00 0.00 C ATOM 201 C LYS A 15 -20.818 9.946 -1.244 1.00 0.00 C ATOM 202 O LYS A 15 -21.052 11.003 -1.829 1.00 0.00 O ATOM 203 CB LYS A 15 -22.605 10.457 0.519 1.00 0.00 C ATOM 204 CG LYS A 15 -23.603 9.826 1.492 1.00 0.00 C ATOM 205 CD LYS A 15 -24.851 10.699 1.641 1.00 0.00 C ATOM 206 CE LYS A 15 -24.556 11.934 2.495 1.00 0.00 C ATOM 207 NZ LYS A 15 -24.794 13.171 1.717 1.00 0.00 N ATOM 0 H LYS A 15 -20.741 8.995 1.525 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.555 8.812 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.918 11.103 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.136 11.087 -0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.888 8.836 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.131 9.691 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.203 11.008 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.653 10.119 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.188 11.929 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.522 11.907 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.589 14.000 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -24.173 13.181 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -25.787 13.202 1.410 1.00 0.00 H new ATOM 221 N GLN A 16 -19.727 9.216 -1.421 1.00 0.00 N ATOM 222 CA GLN A 16 -18.692 9.631 -2.353 1.00 0.00 C ATOM 223 C GLN A 16 -17.977 8.408 -2.930 1.00 0.00 C ATOM 224 O GLN A 16 -17.169 7.754 -2.274 1.00 0.00 O ATOM 225 CB GLN A 16 -17.698 10.582 -1.682 1.00 0.00 C ATOM 226 CG GLN A 16 -18.099 10.859 -0.232 1.00 0.00 C ATOM 227 CD GLN A 16 -19.193 11.926 -0.160 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.462 12.641 -1.111 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.806 11.993 1.018 1.00 0.00 N ATOM 0 H GLN A 16 -19.537 8.340 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.164 10.172 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.698 10.148 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.655 11.519 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.452 9.939 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.227 11.188 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.531 11.364 1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.551 12.673 1.167 1.00 0.00 H new ATOM 238 N PRO A 17 -18.297 8.110 -4.192 1.00 0.00 N ATOM 239 CA PRO A 17 -17.740 7.000 -4.934 1.00 0.00 C ATOM 240 C PRO A 17 -16.374 7.386 -5.483 1.00 0.00 C ATOM 241 O PRO A 17 -16.253 8.458 -6.073 1.00 0.00 O ATOM 242 CB PRO A 17 -18.734 6.748 -6.066 1.00 0.00 C ATOM 243 CG PRO A 17 -19.270 8.140 -6.340 1.00 0.00 C ATOM 244 CD PRO A 17 -19.243 8.857 -4.992 1.00 0.00 C ATOM 0 HA PRO A 17 -17.596 6.110 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.251 6.318 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.524 6.059 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.655 8.660 -7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.282 8.099 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.933 9.896 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.230 8.867 -4.530 1.00 0.00 H new ATOM 252 N VAL A 18 -15.388 6.524 -5.281 1.00 0.00 N ATOM 253 CA VAL A 18 -14.045 6.797 -5.763 1.00 0.00 C ATOM 254 C VAL A 18 -13.472 5.534 -6.410 1.00 0.00 C ATOM 255 O VAL A 18 -13.228 4.540 -5.728 1.00 0.00 O ATOM 256 CB VAL A 18 -13.177 7.330 -4.621 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.766 7.660 -5.112 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.827 8.548 -3.961 1.00 0.00 C ATOM 0 H VAL A 18 -15.493 5.636 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.065 7.573 -6.528 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.094 6.545 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.170 8.037 -4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.301 6.760 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.821 8.419 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.190 8.907 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.954 9.338 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.800 8.268 -3.558 1.00 0.00 H new ATOM 268 N VAL A 19 -13.275 5.615 -7.718 1.00 0.00 N ATOM 269 CA VAL A 19 -12.736 4.490 -8.464 1.00 0.00 C ATOM 270 C VAL A 19 -11.215 4.459 -8.302 1.00 0.00 C ATOM 271 O VAL A 19 -10.583 5.501 -8.133 1.00 0.00 O ATOM 272 CB VAL A 19 -13.180 4.571 -9.925 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.157 5.334 -10.768 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.432 3.175 -10.500 1.00 0.00 C ATOM 0 H VAL A 19 -13.479 6.441 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.124 3.550 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.120 5.122 -9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.497 5.377 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.048 6.347 -10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.195 4.823 -10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.747 3.261 -11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.515 2.588 -10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.214 2.680 -9.924 1.00 0.00 H new ATOM 284 N PHE A 20 -10.671 3.252 -8.359 1.00 0.00 N ATOM 285 CA PHE A 20 -9.236 3.071 -8.220 1.00 0.00 C ATOM 286 C PHE A 20 -8.764 1.829 -8.979 1.00 0.00 C ATOM 287 O PHE A 20 -9.186 0.714 -8.675 1.00 0.00 O ATOM 288 CB PHE A 20 -8.951 2.882 -6.729 1.00 0.00 C ATOM 289 CG PHE A 20 -7.837 1.876 -6.431 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.116 0.546 -6.383 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.567 2.312 -6.214 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.083 -0.387 -6.107 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.533 1.379 -5.937 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.813 0.049 -5.889 1.00 0.00 C ATOM 0 H PHE A 20 -11.198 2.390 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.711 3.935 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.682 3.845 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.865 2.554 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.124 0.200 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.345 3.368 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.305 -1.443 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.525 1.725 -5.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.027 -0.661 -5.678 1.00 0.00 H new ATOM 304 N ASN A 21 -7.895 2.063 -9.952 1.00 0.00 N ATOM 305 CA ASN A 21 -7.362 0.977 -10.756 1.00 0.00 C ATOM 306 C ASN A 21 -6.005 0.550 -10.193 1.00 0.00 C ATOM 307 O ASN A 21 -5.168 1.387 -9.861 1.00 0.00 O ATOM 308 CB ASN A 21 -7.155 1.416 -12.207 1.00 0.00 C ATOM 309 CG ASN A 21 -8.366 2.197 -12.722 1.00 0.00 C ATOM 310 OD1 ASN A 21 -9.536 1.679 -12.360 1.00 0.00 O flip ATOM 311 ND2 ASN A 21 -8.246 3.202 -13.403 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.547 2.989 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.076 0.154 -10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.261 2.035 -12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.988 0.541 -12.835 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.317 3.546 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.075 3.698 -13.730 1.00 0.00 H new ATOM 318 N HIS A 22 -5.823 -0.768 -10.099 1.00 0.00 N ATOM 319 CA HIS A 22 -4.594 -1.363 -9.587 1.00 0.00 C ATOM 320 C HIS A 22 -3.432 -1.072 -10.554 1.00 0.00 C ATOM 321 O HIS A 22 -2.282 -0.973 -10.128 1.00 0.00 O ATOM 322 CB HIS A 22 -4.838 -2.856 -9.321 1.00 0.00 C ATOM 323 CG HIS A 22 -5.392 -3.223 -7.965 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.697 -3.419 -7.749 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.771 -3.425 -6.755 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.881 -3.730 -6.457 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.724 -3.748 -5.797 1.00 0.00 N ATOM 0 H HIS A 22 -6.527 -1.452 -10.377 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.302 -0.920 -8.635 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.525 -3.229 -10.081 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.894 -3.384 -9.457 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.432 -3.344 -8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.709 -3.345 -6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.842 -3.939 -6.010 1.00 0.00 H new ATOM 335 N SER A 23 -3.773 -0.946 -11.828 1.00 0.00 N ATOM 336 CA SER A 23 -2.774 -0.671 -12.847 1.00 0.00 C ATOM 337 C SER A 23 -2.143 0.701 -12.602 1.00 0.00 C ATOM 338 O SER A 23 -0.956 0.898 -12.861 1.00 0.00 O ATOM 339 CB SER A 23 -3.385 -0.732 -14.248 1.00 0.00 C ATOM 340 OG SER A 23 -4.263 0.363 -14.496 1.00 0.00 O ATOM 0 H SER A 23 -4.727 -1.029 -12.178 1.00 0.00 H new ATOM 0 HA SER A 23 -2.001 -1.437 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.588 -0.733 -14.991 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.931 -1.668 -14.365 1.00 0.00 H new ATOM 0 HG SER A 23 -4.631 0.289 -15.401 1.00 0.00 H new ATOM 346 N THR A 24 -2.964 1.616 -12.107 1.00 0.00 N ATOM 347 CA THR A 24 -2.500 2.964 -11.825 1.00 0.00 C ATOM 348 C THR A 24 -1.847 3.025 -10.443 1.00 0.00 C ATOM 349 O THR A 24 -1.471 4.095 -9.970 1.00 0.00 O ATOM 350 CB THR A 24 -3.690 3.914 -11.977 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.744 3.266 -11.271 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.198 3.990 -13.419 1.00 0.00 C ATOM 0 H THR A 24 -3.948 1.450 -11.894 1.00 0.00 H new ATOM 0 HA THR A 24 -1.727 3.272 -12.529 1.00 0.00 H new ATOM 0 HB THR A 24 -3.404 4.910 -11.640 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.366 2.705 -10.562 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.042 4.677 -13.472 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.398 4.347 -14.068 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.515 3.000 -13.746 1.00 0.00 H new ATOM 360 N HIS A 25 -1.729 1.850 -9.823 1.00 0.00 N ATOM 361 CA HIS A 25 -1.132 1.710 -8.500 1.00 0.00 C ATOM 362 C HIS A 25 -0.493 0.316 -8.362 1.00 0.00 C ATOM 363 O HIS A 25 -0.762 -0.395 -7.395 1.00 0.00 O ATOM 364 CB HIS A 25 -2.197 2.024 -7.438 1.00 0.00 C ATOM 365 CG HIS A 25 -2.740 3.434 -7.418 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.764 3.822 -8.185 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.365 4.540 -6.693 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.016 5.119 -7.948 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.182 5.611 -7.035 1.00 0.00 N ATOM 0 H HIS A 25 -2.046 0.969 -10.227 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.321 2.423 -8.351 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.033 1.339 -7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.773 1.809 -6.457 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.271 3.229 -8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.562 4.572 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.794 5.689 -8.435 1.00 0.00 H new ATOM 377 N LYS A 26 0.335 -0.027 -9.338 1.00 0.00 N ATOM 378 CA LYS A 26 1.006 -1.316 -9.332 1.00 0.00 C ATOM 379 C LYS A 26 2.460 -1.126 -8.896 1.00 0.00 C ATOM 380 O LYS A 26 3.109 -2.074 -8.456 1.00 0.00 O ATOM 381 CB LYS A 26 0.857 -2.005 -10.690 1.00 0.00 C ATOM 382 CG LYS A 26 1.834 -1.420 -11.712 1.00 0.00 C ATOM 383 CD LYS A 26 1.216 -1.401 -13.111 1.00 0.00 C ATOM 384 CE LYS A 26 2.171 -2.008 -14.141 1.00 0.00 C ATOM 385 NZ LYS A 26 1.428 -2.850 -15.105 1.00 0.00 N ATOM 0 H LYS A 26 0.556 0.565 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 26 0.539 -1.985 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.037 -3.075 -10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.165 -1.889 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.110 -0.407 -11.418 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.751 -2.010 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.279 -1.958 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.976 -0.376 -13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.695 -1.213 -14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.928 -2.607 -13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.091 -3.254 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.948 -3.619 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.722 -2.269 -15.601 1.00 0.00 H new ATOM 399 N SER A 27 2.930 0.106 -9.032 1.00 0.00 N ATOM 400 CA SER A 27 4.295 0.432 -8.657 1.00 0.00 C ATOM 401 C SER A 27 4.333 0.954 -7.219 1.00 0.00 C ATOM 402 O SER A 27 5.057 1.901 -6.918 1.00 0.00 O ATOM 403 CB SER A 27 4.896 1.465 -9.612 1.00 0.00 C ATOM 404 OG SER A 27 6.316 1.527 -9.507 1.00 0.00 O ATOM 0 H SER A 27 2.389 0.890 -9.397 1.00 0.00 H new ATOM 0 HA SER A 27 4.894 -0.476 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.619 1.216 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.473 2.446 -9.397 1.00 0.00 H new ATOM 0 HG SER A 27 6.568 1.686 -8.573 1.00 0.00 H new ATOM 410 N VAL A 28 3.543 0.313 -6.370 1.00 0.00 N ATOM 411 CA VAL A 28 3.477 0.700 -4.971 1.00 0.00 C ATOM 412 C VAL A 28 3.515 -0.554 -4.097 1.00 0.00 C ATOM 413 O VAL A 28 2.959 -1.588 -4.463 1.00 0.00 O ATOM 414 CB VAL A 28 2.237 1.563 -4.725 1.00 0.00 C ATOM 415 CG1 VAL A 28 1.949 1.693 -3.228 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.389 2.939 -5.377 1.00 0.00 C ATOM 0 H VAL A 28 2.943 -0.472 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 28 4.340 1.310 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 28 1.384 1.066 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.063 2.311 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.777 0.704 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.802 2.157 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.495 3.532 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.257 3.447 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.524 2.819 -6.452 1.00 0.00 H new ATOM 426 N LYS A 29 4.177 -0.422 -2.957 1.00 0.00 N ATOM 427 CA LYS A 29 4.295 -1.532 -2.027 1.00 0.00 C ATOM 428 C LYS A 29 2.926 -2.190 -1.847 1.00 0.00 C ATOM 429 O LYS A 29 1.982 -1.549 -1.387 1.00 0.00 O ATOM 430 CB LYS A 29 4.931 -1.067 -0.715 1.00 0.00 C ATOM 431 CG LYS A 29 5.720 -2.200 -0.056 1.00 0.00 C ATOM 432 CD LYS A 29 5.118 -2.571 1.301 1.00 0.00 C ATOM 433 CE LYS A 29 5.645 -1.651 2.404 1.00 0.00 C ATOM 434 NZ LYS A 29 5.196 -2.125 3.732 1.00 0.00 N ATOM 0 H LYS A 29 4.637 0.437 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 29 4.965 -2.293 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.593 -0.222 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.155 -0.716 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.722 -3.074 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.759 -1.897 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.031 -2.501 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.360 -3.607 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.734 -1.621 2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.293 -0.633 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.562 -1.490 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.157 -2.131 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.553 -3.088 3.896 1.00 0.00 H new ATOM 448 N CYS A 30 2.861 -3.459 -2.220 1.00 0.00 N ATOM 449 CA CYS A 30 1.622 -4.210 -2.105 1.00 0.00 C ATOM 450 C CYS A 30 1.137 -4.118 -0.657 1.00 0.00 C ATOM 451 O CYS A 30 -0.042 -4.334 -0.379 1.00 0.00 O ATOM 452 CB CYS A 30 1.797 -5.662 -2.557 1.00 0.00 C ATOM 453 SG CYS A 30 0.234 -6.573 -2.832 1.00 0.00 S ATOM 0 H CYS A 30 3.646 -3.987 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 30 0.870 -3.780 -2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.375 -5.673 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.384 -6.193 -1.807 1.00 0.00 H new ATOM 458 N GLY A 31 2.070 -3.796 0.227 1.00 0.00 N ATOM 459 CA GLY A 31 1.752 -3.673 1.639 1.00 0.00 C ATOM 460 C GLY A 31 1.539 -2.209 2.028 1.00 0.00 C ATOM 461 O GLY A 31 1.520 -1.873 3.211 1.00 0.00 O ATOM 0 H GLY A 31 3.046 -3.617 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.853 -4.247 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.559 -4.098 2.236 1.00 0.00 H new ATOM 465 N ASP A 32 1.385 -1.376 1.009 1.00 0.00 N ATOM 466 CA ASP A 32 1.174 0.045 1.229 1.00 0.00 C ATOM 467 C ASP A 32 -0.322 0.313 1.403 1.00 0.00 C ATOM 468 O ASP A 32 -0.716 1.151 2.213 1.00 0.00 O ATOM 469 CB ASP A 32 1.666 0.866 0.036 1.00 0.00 C ATOM 470 CG ASP A 32 2.087 2.299 0.366 1.00 0.00 C ATOM 471 OD1 ASP A 32 2.868 2.454 1.330 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.618 3.208 -0.352 1.00 0.00 O ATOM 0 H ASP A 32 1.402 -1.658 0.029 1.00 0.00 H new ATOM 0 HA ASP A 32 1.731 0.335 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.513 0.350 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.875 0.899 -0.714 1.00 0.00 H new ATOM 477 N CYS A 33 -1.115 -0.413 0.629 1.00 0.00 N ATOM 478 CA CYS A 33 -2.559 -0.263 0.687 1.00 0.00 C ATOM 479 C CYS A 33 -3.119 -1.356 1.600 1.00 0.00 C ATOM 480 O CYS A 33 -3.930 -1.086 2.483 1.00 0.00 O ATOM 481 CB CYS A 33 -3.189 -0.305 -0.707 1.00 0.00 C ATOM 482 SG CYS A 33 -3.358 1.392 -1.369 1.00 0.00 S ATOM 0 H CYS A 33 -0.785 -1.107 -0.042 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.809 0.715 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.572 -0.905 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.167 -0.784 -0.659 1.00 0.00 H new ATOM 487 N HIS A 34 -2.661 -2.584 1.355 1.00 0.00 N ATOM 488 CA HIS A 34 -3.079 -3.753 2.120 1.00 0.00 C ATOM 489 C HIS A 34 -2.094 -3.998 3.277 1.00 0.00 C ATOM 490 O HIS A 34 -1.234 -4.872 3.191 1.00 0.00 O ATOM 491 CB HIS A 34 -3.239 -4.943 1.163 1.00 0.00 C ATOM 492 CG HIS A 34 -4.188 -4.760 0.002 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.516 -4.802 0.145 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.954 -4.530 -1.333 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.088 -4.606 -1.054 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.168 -4.433 -2.002 1.00 0.00 N ATOM 0 H HIS A 34 -1.988 -2.794 0.618 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.051 -3.596 2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.256 -5.192 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.574 -5.803 1.743 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.014 -4.958 1.022 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.980 -4.439 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.154 -4.591 -1.227 1.00 0.00 H new ATOM 504 N HIS A 35 -2.252 -3.207 4.339 1.00 0.00 N ATOM 505 CA HIS A 35 -1.410 -3.297 5.527 1.00 0.00 C ATOM 506 C HIS A 35 -1.748 -4.581 6.307 1.00 0.00 C ATOM 507 O HIS A 35 -2.816 -5.169 6.154 1.00 0.00 O ATOM 508 CB HIS A 35 -1.560 -2.004 6.342 1.00 0.00 C ATOM 509 CG HIS A 35 -2.859 -1.820 7.091 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.287 -2.687 8.014 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.814 -0.833 7.021 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.463 -2.257 8.500 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.834 -1.116 7.921 1.00 0.00 N ATOM 0 H HIS A 35 -2.970 -2.485 4.397 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.355 -3.379 5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.743 -1.959 7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.435 -1.159 5.665 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.800 -3.536 8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.777 0.027 6.369 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.033 -2.769 9.261 1.00 0.00 H new ATOM 521 N PRO A 36 -0.804 -4.999 7.154 1.00 0.00 N ATOM 522 CA PRO A 36 -0.919 -6.179 7.985 1.00 0.00 C ATOM 523 C PRO A 36 -2.065 -6.000 8.970 1.00 0.00 C ATOM 524 O PRO A 36 -2.141 -4.951 9.608 1.00 0.00 O ATOM 525 CB PRO A 36 0.420 -6.275 8.714 1.00 0.00 C ATOM 526 CG PRO A 36 1.372 -5.393 7.975 1.00 0.00 C ATOM 527 CD PRO A 36 0.463 -4.332 7.359 1.00 0.00 C ATOM 0 HA PRO A 36 -1.130 -7.083 7.413 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.320 -5.955 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.779 -7.304 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.111 -4.951 8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.921 -5.944 7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.354 -3.473 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.870 -3.961 6.419 1.00 0.00 H new ATOM 535 N VAL A 37 -2.921 -7.005 9.074 1.00 0.00 N ATOM 536 CA VAL A 37 -4.051 -6.935 9.984 1.00 0.00 C ATOM 537 C VAL A 37 -4.213 -8.281 10.694 1.00 0.00 C ATOM 538 O VAL A 37 -4.366 -9.314 10.045 1.00 0.00 O ATOM 539 CB VAL A 37 -5.308 -6.504 9.226 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.434 -6.137 10.194 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.003 -5.345 8.274 1.00 0.00 C ATOM 0 H VAL A 37 -2.855 -7.873 8.543 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.876 -6.181 10.752 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.645 -7.350 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.315 -5.834 9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.678 -7.001 10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.112 -5.314 10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.913 -5.058 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.630 -4.494 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.249 -5.657 7.551 1.00 0.00 H new ATOM 551 N ASN A 38 -4.175 -8.224 12.017 1.00 0.00 N ATOM 552 CA ASN A 38 -4.316 -9.425 12.822 1.00 0.00 C ATOM 553 C ASN A 38 -3.144 -10.366 12.536 1.00 0.00 C ATOM 554 O ASN A 38 -3.321 -11.582 12.470 1.00 0.00 O ATOM 555 CB ASN A 38 -5.611 -10.167 12.484 1.00 0.00 C ATOM 556 CG ASN A 38 -6.695 -9.192 12.020 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.717 -8.045 12.693 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -7.462 -9.463 11.110 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.049 -7.365 12.552 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.334 -9.127 13.870 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.420 -10.903 11.703 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.960 -10.715 13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.391 -10.362 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.174 -8.790 10.825 1.00 0.00 H new ATOM 565 N GLY A 39 -1.973 -9.769 12.373 1.00 0.00 N ATOM 566 CA GLY A 39 -0.772 -10.538 12.095 1.00 0.00 C ATOM 567 C GLY A 39 -0.981 -11.465 10.895 1.00 0.00 C ATOM 568 O GLY A 39 -0.831 -12.681 11.012 1.00 0.00 O ATOM 0 H GLY A 39 -1.830 -8.761 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.060 -9.862 11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.502 -11.127 12.971 1.00 0.00 H new ATOM 572 N LYS A 40 -1.323 -10.856 9.770 1.00 0.00 N ATOM 573 CA LYS A 40 -1.553 -11.612 8.550 1.00 0.00 C ATOM 574 C LYS A 40 -2.131 -10.682 7.481 1.00 0.00 C ATOM 575 O LYS A 40 -3.314 -10.348 7.517 1.00 0.00 O ATOM 576 CB LYS A 40 -2.424 -12.837 8.835 1.00 0.00 C ATOM 577 CG LYS A 40 -3.120 -13.323 7.562 1.00 0.00 C ATOM 578 CD LYS A 40 -4.172 -14.387 7.884 1.00 0.00 C ATOM 579 CE LYS A 40 -3.640 -15.791 7.591 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.130 -16.267 6.278 1.00 0.00 N ATOM 0 H LYS A 40 -1.447 -9.848 9.677 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.613 -12.002 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.809 -13.638 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.170 -12.589 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.593 -12.480 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.381 -13.733 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.458 -14.314 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.071 -14.205 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.550 -15.782 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.958 -16.478 8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.760 -17.221 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.170 -16.294 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.805 -15.620 5.531 1.00 0.00 H new ATOM 594 N GLU A 41 -1.268 -10.291 6.554 1.00 0.00 N ATOM 595 CA GLU A 41 -1.677 -9.406 5.477 1.00 0.00 C ATOM 596 C GLU A 41 -3.162 -9.602 5.164 1.00 0.00 C ATOM 597 O GLU A 41 -3.608 -10.725 4.932 1.00 0.00 O ATOM 598 CB GLU A 41 -0.820 -9.629 4.229 1.00 0.00 C ATOM 599 CG GLU A 41 0.351 -8.645 4.186 1.00 0.00 C ATOM 600 CD GLU A 41 1.399 -9.084 3.161 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.740 -10.287 3.177 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.834 -8.208 2.383 1.00 0.00 O ATOM 0 H GLU A 41 -0.288 -10.571 6.527 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.527 -8.376 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.441 -10.651 4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.433 -9.509 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.015 -7.650 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.809 -8.576 5.173 1.00 0.00 H new ATOM 609 N ASP A 42 -3.886 -8.493 5.167 1.00 0.00 N ATOM 610 CA ASP A 42 -5.312 -8.529 4.887 1.00 0.00 C ATOM 611 C ASP A 42 -5.582 -7.834 3.551 1.00 0.00 C ATOM 612 O ASP A 42 -4.902 -6.889 3.157 1.00 0.00 O ATOM 613 CB ASP A 42 -6.105 -7.795 5.970 1.00 0.00 C ATOM 614 CG ASP A 42 -7.603 -7.655 5.692 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.945 -6.807 4.840 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.372 -8.400 6.337 1.00 0.00 O ATOM 0 H ASP A 42 -3.512 -7.563 5.359 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.624 -9.573 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.974 -8.322 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.680 -6.800 6.098 1.00 0.00 H new ATOM 621 N TYR A 43 -6.605 -8.332 2.852 1.00 0.00 N ATOM 622 CA TYR A 43 -6.988 -7.786 1.566 1.00 0.00 C ATOM 623 C TYR A 43 -8.501 -7.637 1.499 1.00 0.00 C ATOM 624 O TYR A 43 -9.051 -7.644 0.398 1.00 0.00 O ATOM 625 CB TYR A 43 -6.485 -8.703 0.456 1.00 0.00 C ATOM 626 CG TYR A 43 -5.022 -8.512 0.132 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.048 -8.829 1.087 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.641 -8.019 -1.121 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.691 -8.651 0.787 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.285 -7.842 -1.420 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.310 -8.158 -0.466 1.00 0.00 C ATOM 632 OH TYR A 43 -0.989 -7.985 -0.758 1.00 0.00 O ATOM 0 H TYR A 43 -7.179 -9.115 3.164 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.540 -6.801 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.652 -9.740 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.074 -8.527 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.343 -9.210 2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.393 -7.775 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.939 -8.894 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.991 -7.462 -2.387 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.898 -7.636 -1.669 1.00 0.00 H new ATOM 642 N ARG A 44 -9.137 -7.506 2.654 1.00 0.00 N ATOM 643 CA ARG A 44 -10.581 -7.358 2.701 1.00 0.00 C ATOM 644 C ARG A 44 -10.963 -5.876 2.694 1.00 0.00 C ATOM 645 O ARG A 44 -10.104 -5.009 2.851 1.00 0.00 O ATOM 646 CB ARG A 44 -11.163 -8.021 3.951 1.00 0.00 C ATOM 647 CG ARG A 44 -11.207 -9.542 3.794 1.00 0.00 C ATOM 648 CD ARG A 44 -12.080 -10.180 4.877 1.00 0.00 C ATOM 649 NE ARG A 44 -11.868 -9.491 6.169 1.00 0.00 N ATOM 650 CZ ARG A 44 -12.747 -9.516 7.193 1.00 0.00 C ATOM 651 NH1 ARG A 44 -13.907 -10.197 7.084 1.00 0.00 N ATOM 652 NH2 ARG A 44 -12.455 -8.863 8.303 1.00 0.00 N ATOM 0 H ARG A 44 -8.678 -7.499 3.565 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.993 -7.848 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.560 -7.759 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.168 -7.641 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.598 -9.798 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.196 -9.947 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.130 -10.120 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.837 -11.238 4.975 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.004 -8.964 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.125 -10.698 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.566 -10.211 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.576 -8.350 8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.108 -8.871 9.086 1.00 0.00 H new ATOM 665 N LYS A 45 -12.252 -5.630 2.511 1.00 0.00 N ATOM 666 CA LYS A 45 -12.758 -4.268 2.482 1.00 0.00 C ATOM 667 C LYS A 45 -12.005 -3.427 3.514 1.00 0.00 C ATOM 668 O LYS A 45 -11.703 -3.904 4.608 1.00 0.00 O ATOM 669 CB LYS A 45 -14.276 -4.257 2.669 1.00 0.00 C ATOM 670 CG LYS A 45 -14.948 -5.291 1.764 1.00 0.00 C ATOM 671 CD LYS A 45 -16.292 -4.776 1.245 1.00 0.00 C ATOM 672 CE LYS A 45 -16.882 -5.733 0.207 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.682 -4.986 -0.789 1.00 0.00 N ATOM 0 H LYS A 45 -12.962 -6.351 2.381 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.577 -3.815 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.519 -4.468 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.666 -3.264 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.294 -5.523 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.099 -6.219 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.987 -4.662 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.161 -3.789 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.080 -6.275 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.508 -6.476 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.076 -5.650 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.458 -4.488 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.075 -4.294 -1.273 1.00 0.00 H new ATOM 687 N CYS A 46 -11.723 -2.191 3.131 1.00 0.00 N ATOM 688 CA CYS A 46 -11.011 -1.279 4.010 1.00 0.00 C ATOM 689 C CYS A 46 -11.848 -1.078 5.275 1.00 0.00 C ATOM 690 O CYS A 46 -11.334 -1.183 6.387 1.00 0.00 O ATOM 691 CB CYS A 46 -10.698 0.048 3.316 1.00 0.00 C ATOM 692 SG CYS A 46 -9.341 -0.027 2.091 1.00 0.00 S ATOM 0 H CYS A 46 -11.975 -1.799 2.223 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.046 -1.709 4.279 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.600 0.402 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.443 0.787 4.075 1.00 0.00 H new ATOM 697 N GLY A 47 -13.125 -0.793 5.062 1.00 0.00 N ATOM 698 CA GLY A 47 -14.038 -0.576 6.170 1.00 0.00 C ATOM 699 C GLY A 47 -14.357 -1.892 6.883 1.00 0.00 C ATOM 700 O GLY A 47 -13.717 -2.236 7.875 1.00 0.00 O ATOM 0 H GLY A 47 -13.548 -0.708 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.597 0.127 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.960 -0.124 5.803 1.00 0.00 H new ATOM 704 N THR A 48 -15.348 -2.592 6.349 1.00 0.00 N ATOM 705 CA THR A 48 -15.759 -3.862 6.921 1.00 0.00 C ATOM 706 C THR A 48 -16.084 -3.697 8.407 1.00 0.00 C ATOM 707 O THR A 48 -15.758 -2.675 9.008 1.00 0.00 O ATOM 708 CB THR A 48 -14.653 -4.884 6.651 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.753 -4.200 5.782 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.142 -6.071 5.820 1.00 0.00 C ATOM 0 H THR A 48 -15.878 -2.303 5.527 1.00 0.00 H new ATOM 0 HA THR A 48 -16.676 -4.225 6.458 1.00 0.00 H new ATOM 0 HB THR A 48 -14.254 -5.245 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.938 -4.733 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.318 -6.766 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.946 -6.580 6.351 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.511 -5.714 4.858 1.00 0.00 H new ATOM 718 N ALA A 49 -16.723 -4.720 8.957 1.00 0.00 N ATOM 719 CA ALA A 49 -17.096 -4.701 10.361 1.00 0.00 C ATOM 720 C ALA A 49 -15.937 -5.243 11.200 1.00 0.00 C ATOM 721 O ALA A 49 -15.514 -6.384 11.016 1.00 0.00 O ATOM 722 CB ALA A 49 -18.384 -5.503 10.559 1.00 0.00 C ATOM 0 H ALA A 49 -16.992 -5.567 8.456 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.293 -3.681 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.663 -5.488 11.612 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.184 -5.060 9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.224 -6.533 10.240 1.00 0.00 H new ATOM 728 N GLY A 50 -15.456 -4.401 12.102 1.00 0.00 N ATOM 729 CA GLY A 50 -14.354 -4.782 12.969 1.00 0.00 C ATOM 730 C GLY A 50 -13.136 -3.887 12.733 1.00 0.00 C ATOM 731 O GLY A 50 -12.208 -3.868 13.540 1.00 0.00 O ATOM 0 H GLY A 50 -15.809 -3.456 12.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.665 -4.711 14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.086 -5.823 12.786 1.00 0.00 H new ATOM 735 N CYS A 51 -13.178 -3.167 11.621 1.00 0.00 N ATOM 736 CA CYS A 51 -12.089 -2.272 11.268 1.00 0.00 C ATOM 737 C CYS A 51 -12.651 -0.854 11.147 1.00 0.00 C ATOM 738 O CYS A 51 -13.492 -0.440 11.942 1.00 0.00 O ATOM 739 CB CYS A 51 -11.384 -2.718 9.985 1.00 0.00 C ATOM 740 SG CYS A 51 -11.228 -4.541 9.957 1.00 0.00 S ATOM 0 H CYS A 51 -13.949 -3.185 10.953 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.329 -2.294 12.049 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.947 -2.380 9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.397 -2.259 9.925 1.00 0.00 H new ATOM 745 N HIS A 52 -12.162 -0.138 10.135 1.00 0.00 N ATOM 746 CA HIS A 52 -12.578 1.232 9.860 1.00 0.00 C ATOM 747 C HIS A 52 -14.085 1.265 9.545 1.00 0.00 C ATOM 748 O HIS A 52 -14.471 1.408 8.385 1.00 0.00 O ATOM 749 CB HIS A 52 -11.688 1.810 8.750 1.00 0.00 C ATOM 750 CG HIS A 52 -10.198 1.608 8.901 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.444 2.376 9.694 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.344 0.695 8.329 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.171 1.958 9.620 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.053 0.922 8.791 1.00 0.00 N ATOM 0 H HIS A 52 -11.464 -0.495 9.482 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.444 1.872 10.732 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.997 1.369 7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.881 2.881 8.682 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.781 3.153 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.631 -0.077 7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.350 2.403 10.162 1.00 0.00 H new ATOM 762 N ASP A 53 -14.886 1.133 10.592 1.00 0.00 N ATOM 763 CA ASP A 53 -16.331 1.147 10.435 1.00 0.00 C ATOM 764 C ASP A 53 -16.879 2.488 10.928 1.00 0.00 C ATOM 765 O ASP A 53 -18.048 2.585 11.299 1.00 0.00 O ATOM 766 CB ASP A 53 -16.985 0.037 11.259 1.00 0.00 C ATOM 767 CG ASP A 53 -17.112 0.331 12.755 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.050 0.500 13.392 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.268 0.379 13.228 1.00 0.00 O ATOM 0 H ASP A 53 -14.562 1.016 11.552 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.558 0.994 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.979 -0.156 10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.407 -0.878 11.132 1.00 0.00 H new ATOM 774 N SER A 54 -16.010 3.487 10.916 1.00 0.00 N ATOM 775 CA SER A 54 -16.393 4.818 11.357 1.00 0.00 C ATOM 776 C SER A 54 -16.426 5.775 10.164 1.00 0.00 C ATOM 777 O SER A 54 -15.436 5.915 9.448 1.00 0.00 O ATOM 778 CB SER A 54 -15.434 5.339 12.429 1.00 0.00 C ATOM 779 OG SER A 54 -15.996 6.421 13.167 1.00 0.00 O ATOM 0 H SER A 54 -15.041 3.402 10.608 1.00 0.00 H new ATOM 0 HA SER A 54 -17.389 4.760 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.178 4.529 13.112 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.506 5.664 11.958 1.00 0.00 H new ATOM 0 HG SER A 54 -15.354 6.724 13.843 1.00 0.00 H new ATOM 785 N MET A 55 -17.576 6.410 9.988 1.00 0.00 N ATOM 786 CA MET A 55 -17.751 7.350 8.894 1.00 0.00 C ATOM 787 C MET A 55 -18.312 8.681 9.400 1.00 0.00 C ATOM 788 O MET A 55 -19.366 9.127 8.948 1.00 0.00 O ATOM 789 CB MET A 55 -18.705 6.755 7.857 1.00 0.00 C ATOM 790 CG MET A 55 -18.337 5.304 7.543 1.00 0.00 C ATOM 791 SD MET A 55 -18.441 5.014 5.785 1.00 0.00 S ATOM 792 CE MET A 55 -18.138 3.256 5.742 1.00 0.00 C ATOM 0 H MET A 55 -18.395 6.292 10.584 1.00 0.00 H new ATOM 0 HA MET A 55 -16.778 7.536 8.440 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.728 6.802 8.230 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.671 7.349 6.943 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.328 5.092 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.008 4.627 8.072 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.062 2.925 4.706 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.207 3.034 6.263 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.960 2.733 6.230 1.00 0.00 H new ATOM 802 N ASP A 56 -17.583 9.278 10.331 1.00 0.00 N ATOM 803 CA ASP A 56 -17.995 10.549 10.903 1.00 0.00 C ATOM 804 C ASP A 56 -16.875 11.575 10.715 1.00 0.00 C ATOM 805 O ASP A 56 -15.764 11.221 10.324 1.00 0.00 O ATOM 806 CB ASP A 56 -18.266 10.416 12.403 1.00 0.00 C ATOM 807 CG ASP A 56 -18.747 11.696 13.089 1.00 0.00 C ATOM 808 OD1 ASP A 56 -17.868 12.486 13.496 1.00 0.00 O ATOM 809 OD2 ASP A 56 -19.982 11.855 13.192 1.00 0.00 O ATOM 0 H ASP A 56 -16.710 8.905 10.704 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.907 10.866 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.014 9.638 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.352 10.080 12.894 1.00 0.00 H new ATOM 814 N LYS A 57 -17.207 12.825 11.001 1.00 0.00 N ATOM 815 CA LYS A 57 -16.243 13.905 10.868 1.00 0.00 C ATOM 816 C LYS A 57 -16.116 14.636 12.206 1.00 0.00 C ATOM 817 O LYS A 57 -16.867 15.571 12.481 1.00 0.00 O ATOM 818 CB LYS A 57 -16.621 14.819 9.701 1.00 0.00 C ATOM 819 CG LYS A 57 -15.373 15.408 9.040 1.00 0.00 C ATOM 820 CD LYS A 57 -14.449 14.300 8.528 1.00 0.00 C ATOM 821 CE LYS A 57 -13.639 14.777 7.321 1.00 0.00 C ATOM 822 NZ LYS A 57 -12.353 15.364 7.759 1.00 0.00 N ATOM 0 H LYS A 57 -18.130 13.115 11.324 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.257 13.509 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.196 14.257 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.262 15.625 10.058 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.666 16.054 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.837 16.031 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.773 13.988 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.040 13.427 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.453 13.941 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.211 15.517 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.640 15.233 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.480 16.380 7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.035 14.893 8.630 1.00 0.00 H new ATOM 836 N LYS A 58 -15.159 14.183 13.003 1.00 0.00 N ATOM 837 CA LYS A 58 -14.923 14.783 14.305 1.00 0.00 C ATOM 838 C LYS A 58 -14.059 13.842 15.146 1.00 0.00 C ATOM 839 O LYS A 58 -13.207 14.293 15.911 1.00 0.00 O ATOM 840 CB LYS A 58 -16.249 15.159 14.970 1.00 0.00 C ATOM 841 CG LYS A 58 -16.503 16.665 14.873 1.00 0.00 C ATOM 842 CD LYS A 58 -18.003 16.969 14.866 1.00 0.00 C ATOM 843 CE LYS A 58 -18.606 16.782 16.260 1.00 0.00 C ATOM 844 NZ LYS A 58 -19.475 17.929 16.607 1.00 0.00 N ATOM 0 H LYS A 58 -14.538 13.407 12.772 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.370 15.716 14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.066 14.617 14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.234 14.856 16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.029 17.172 15.714 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.045 17.057 13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.169 17.992 14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.507 16.313 14.156 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.183 15.858 16.292 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.809 16.686 16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.876 17.786 17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.914 18.805 16.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.246 18.003 15.913 1.00 0.00 H new ATOM 858 N ASP A 59 -14.308 12.552 14.977 1.00 0.00 N ATOM 859 CA ASP A 59 -13.563 11.543 15.712 1.00 0.00 C ATOM 860 C ASP A 59 -12.708 10.735 14.734 1.00 0.00 C ATOM 861 O ASP A 59 -13.186 9.773 14.134 1.00 0.00 O ATOM 862 CB ASP A 59 -14.506 10.575 16.428 1.00 0.00 C ATOM 863 CG ASP A 59 -13.848 9.709 17.504 1.00 0.00 C ATOM 864 OD1 ASP A 59 -13.040 10.274 18.271 1.00 0.00 O ATOM 865 OD2 ASP A 59 -14.169 8.501 17.535 1.00 0.00 O ATOM 0 H ASP A 59 -15.015 12.182 14.342 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.942 12.052 16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.311 11.149 16.887 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.963 9.921 15.686 1.00 0.00 H new ATOM 870 N LYS A 60 -11.458 11.155 14.604 1.00 0.00 N ATOM 871 CA LYS A 60 -10.531 10.481 13.710 1.00 0.00 C ATOM 872 C LYS A 60 -10.203 9.096 14.270 1.00 0.00 C ATOM 873 O LYS A 60 -11.095 8.267 14.447 1.00 0.00 O ATOM 874 CB LYS A 60 -9.298 11.352 13.461 1.00 0.00 C ATOM 875 CG LYS A 60 -9.699 12.741 12.959 1.00 0.00 C ATOM 876 CD LYS A 60 -9.057 13.838 13.810 1.00 0.00 C ATOM 877 CE LYS A 60 -9.948 14.200 15.000 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.867 15.650 15.286 1.00 0.00 N ATOM 0 H LYS A 60 -11.065 11.953 15.103 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.988 10.329 12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.723 11.446 14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.650 10.870 12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.394 12.858 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.784 12.842 12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.084 13.503 14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.884 14.723 13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.980 13.923 14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.640 13.632 15.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.478 15.879 16.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.884 15.905 15.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.182 16.186 14.453 1.00 0.00 H new ATOM 892 N SER A 61 -8.922 8.888 14.535 1.00 0.00 N ATOM 893 CA SER A 61 -8.465 7.617 15.071 1.00 0.00 C ATOM 894 C SER A 61 -8.226 6.624 13.932 1.00 0.00 C ATOM 895 O SER A 61 -8.532 6.914 12.776 1.00 0.00 O ATOM 896 CB SER A 61 -9.474 7.047 16.070 1.00 0.00 C ATOM 897 OG SER A 61 -10.063 8.064 16.875 1.00 0.00 O ATOM 0 H SER A 61 -8.186 9.578 14.389 1.00 0.00 H new ATOM 0 HA SER A 61 -7.527 7.786 15.599 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.257 6.514 15.530 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.977 6.320 16.712 1.00 0.00 H new ATOM 0 HG SER A 61 -10.702 7.659 17.498 1.00 0.00 H new ATOM 903 N ALA A 62 -7.681 5.473 14.298 1.00 0.00 N ATOM 904 CA ALA A 62 -7.397 4.436 13.321 1.00 0.00 C ATOM 905 C ALA A 62 -8.709 3.787 12.876 1.00 0.00 C ATOM 906 O ALA A 62 -8.716 2.939 11.985 1.00 0.00 O ATOM 907 CB ALA A 62 -6.420 3.423 13.921 1.00 0.00 C ATOM 0 H ALA A 62 -7.429 5.236 15.257 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.923 4.862 12.437 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.207 2.645 13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.494 3.928 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.863 2.973 14.810 1.00 0.00 H new ATOM 913 N LYS A 63 -9.789 4.211 13.517 1.00 0.00 N ATOM 914 CA LYS A 63 -11.104 3.682 13.199 1.00 0.00 C ATOM 915 C LYS A 63 -11.772 4.580 12.156 1.00 0.00 C ATOM 916 O LYS A 63 -12.762 4.190 11.539 1.00 0.00 O ATOM 917 CB LYS A 63 -11.931 3.500 14.473 1.00 0.00 C ATOM 918 CG LYS A 63 -11.479 2.261 15.248 1.00 0.00 C ATOM 919 CD LYS A 63 -11.262 2.588 16.727 1.00 0.00 C ATOM 920 CE LYS A 63 -9.828 3.058 16.980 1.00 0.00 C ATOM 921 NZ LYS A 63 -9.110 2.092 17.841 1.00 0.00 N ATOM 0 H LYS A 63 -9.780 4.915 14.255 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.018 2.689 12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.833 4.384 15.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.986 3.407 14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.227 1.474 15.152 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.555 1.876 14.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.963 3.363 17.038 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.472 1.706 17.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.303 3.169 16.031 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.839 4.039 17.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.139 2.426 18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.603 2.006 18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.083 1.163 17.373 1.00 0.00 H new ATOM 935 N GLY A 64 -11.202 5.764 11.989 1.00 0.00 N ATOM 936 CA GLY A 64 -11.730 6.720 11.031 1.00 0.00 C ATOM 937 C GLY A 64 -11.507 6.238 9.596 1.00 0.00 C ATOM 938 O GLY A 64 -10.382 6.049 9.138 1.00 0.00 O ATOM 0 H GLY A 64 -10.380 6.083 12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.796 6.867 11.208 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.247 7.687 11.173 1.00 0.00 H new ATOM 942 N TYR A 65 -12.621 6.042 8.887 1.00 0.00 N ATOM 943 CA TYR A 65 -12.580 5.584 7.513 1.00 0.00 C ATOM 944 C TYR A 65 -11.947 6.652 6.632 1.00 0.00 C ATOM 945 O TYR A 65 -10.988 6.379 5.913 1.00 0.00 O ATOM 946 CB TYR A 65 -13.996 5.265 7.043 1.00 0.00 C ATOM 947 CG TYR A 65 -14.040 4.432 5.784 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.996 3.546 5.494 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.125 4.548 4.906 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.037 2.774 4.327 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.165 3.775 3.739 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.122 2.888 3.449 1.00 0.00 C ATOM 953 OH TYR A 65 -14.161 2.136 2.312 1.00 0.00 O ATOM 0 H TYR A 65 -13.561 6.196 9.251 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.975 4.680 7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.523 4.737 7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.532 6.198 6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.159 3.458 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.930 5.233 5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.231 2.090 4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.002 3.863 3.062 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.540 2.668 1.581 1.00 0.00 H new ATOM 963 N TYR A 66 -12.486 7.872 6.690 1.00 0.00 N ATOM 964 CA TYR A 66 -11.973 8.971 5.898 1.00 0.00 C ATOM 965 C TYR A 66 -10.664 9.469 6.493 1.00 0.00 C ATOM 966 O TYR A 66 -10.079 10.403 5.945 1.00 0.00 O ATOM 967 CB TYR A 66 -13.008 10.091 5.854 1.00 0.00 C ATOM 968 CG TYR A 66 -12.426 11.437 5.494 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.752 12.189 6.464 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.559 11.932 4.191 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.213 13.438 6.131 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.019 13.180 3.858 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.346 13.933 4.828 1.00 0.00 C ATOM 974 OH TYR A 66 -10.820 15.149 4.503 1.00 0.00 O ATOM 0 H TYR A 66 -13.280 8.115 7.282 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.780 8.632 4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.780 9.833 5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.495 10.163 6.827 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.648 11.806 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.078 11.351 3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.695 14.019 6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.121 13.562 2.853 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.000 15.342 3.559 1.00 0.00 H new ATOM 984 N HIS A 67 -10.235 8.852 7.584 1.00 0.00 N ATOM 985 CA HIS A 67 -8.996 9.250 8.231 1.00 0.00 C ATOM 986 C HIS A 67 -7.876 8.289 7.829 1.00 0.00 C ATOM 987 O HIS A 67 -6.711 8.518 8.153 1.00 0.00 O ATOM 988 CB HIS A 67 -9.182 9.344 9.747 1.00 0.00 C ATOM 989 CG HIS A 67 -7.894 9.246 10.530 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.172 10.358 10.927 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.209 8.158 10.986 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.101 9.946 11.590 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.126 8.583 11.626 1.00 0.00 N ATOM 0 H HIS A 67 -10.723 8.079 8.037 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.709 10.247 7.896 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.669 10.289 9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.854 8.549 10.071 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.422 11.329 10.741 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.498 7.126 10.850 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.342 10.579 12.025 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.267 7.233 7.130 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.310 6.237 6.681 1.00 0.00 C ATOM 1003 C VAL A 68 -7.223 6.271 5.154 1.00 0.00 C ATOM 1004 O VAL A 68 -6.746 5.322 4.534 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.692 4.860 7.227 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.581 4.825 8.753 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.097 4.460 6.771 1.00 0.00 C ATOM 0 H VAL A 68 -9.234 7.046 6.864 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.316 6.461 7.068 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.988 4.132 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.858 3.835 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.555 5.046 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.251 5.569 9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.344 3.477 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.819 5.192 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.130 4.425 5.682 1.00 0.00 H new ATOM 1017 N MET A 69 -7.693 7.375 4.591 1.00 0.00 N ATOM 1018 CA MET A 69 -7.675 7.545 3.148 1.00 0.00 C ATOM 1019 C MET A 69 -7.590 9.026 2.771 1.00 0.00 C ATOM 1020 O MET A 69 -8.032 9.429 1.698 1.00 0.00 O ATOM 1021 CB MET A 69 -8.944 6.937 2.547 1.00 0.00 C ATOM 1022 CG MET A 69 -9.944 6.560 3.642 1.00 0.00 C ATOM 1023 SD MET A 69 -11.197 5.477 2.977 1.00 0.00 S ATOM 1024 CE MET A 69 -10.548 3.897 3.495 1.00 0.00 C ATOM 0 H MET A 69 -8.088 8.160 5.108 1.00 0.00 H new ATOM 0 HA MET A 69 -6.795 7.038 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.402 7.649 1.860 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.687 6.052 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.426 6.068 4.465 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.407 7.459 4.048 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.087 3.098 2.986 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.489 3.838 3.243 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.671 3.789 4.573 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.013 9.807 3.685 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.842 11.244 3.503 1.00 0.00 C ATOM 1036 C HIS A 70 -5.613 11.726 4.295 1.00 0.00 C ATOM 1037 O HIS A 70 -4.537 11.898 3.723 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.153 11.952 3.878 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.353 11.668 3.004 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.189 10.653 3.238 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.828 12.305 1.883 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.149 10.657 2.300 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.974 11.657 1.438 1.00 0.00 N ATOM 0 H HIS A 70 -6.651 9.458 4.573 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.639 11.493 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.406 11.679 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.973 13.027 3.870 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.111 9.984 4.004 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.381 13.173 1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.958 9.943 2.251 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.815 11.928 5.589 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.739 12.383 6.452 1.00 0.00 C ATOM 1053 C ASP A 71 -3.446 11.659 6.074 1.00 0.00 C ATOM 1054 O ASP A 71 -3.484 10.541 5.561 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.042 12.073 7.920 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.646 13.232 8.715 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -4.917 14.230 8.904 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.822 13.094 9.115 1.00 0.00 O ATOM 0 H ASP A 71 -6.708 11.785 6.060 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.637 13.461 6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.728 11.227 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.119 11.760 8.408 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.332 12.325 6.341 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.030 11.759 6.034 1.00 0.00 C ATOM 1065 C LYS A 72 -0.260 11.526 7.336 1.00 0.00 C ATOM 1066 O LYS A 72 0.800 10.903 7.332 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.286 12.639 5.029 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.083 14.052 5.582 1.00 0.00 C ATOM 1069 CD LYS A 72 1.157 14.707 4.971 1.00 0.00 C ATOM 1070 CE LYS A 72 2.061 15.291 6.058 1.00 0.00 C ATOM 1071 NZ LYS A 72 1.335 16.316 6.840 1.00 0.00 N ATOM 0 H LYS A 72 -2.305 13.252 6.767 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.141 10.788 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.681 12.193 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.848 12.687 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.962 14.660 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.020 14.011 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.712 13.971 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.854 15.496 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.404 14.496 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.948 15.732 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.993 17.073 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.570 16.717 6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.931 15.880 7.694 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.824 12.040 8.419 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.204 11.897 9.725 1.00 0.00 C ATOM 1087 C ASN A 73 -0.673 10.590 10.367 1.00 0.00 C ATOM 1088 O ASN A 73 -1.033 10.565 11.543 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.600 13.047 10.653 1.00 0.00 C ATOM 1090 CG ASN A 73 0.259 14.286 10.388 1.00 0.00 C ATOM 1091 OD1 ASN A 73 -0.003 15.075 9.496 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.296 14.410 11.211 1.00 0.00 N ATOM 0 H ASN A 73 -1.704 12.556 8.419 1.00 0.00 H new ATOM 0 HA ASN A 73 0.877 11.902 9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.652 13.291 10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.486 12.737 11.692 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.930 15.203 11.116 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.457 13.712 11.937 1.00 0.00 H new ATOM 1099 N THR A 74 -0.654 9.534 9.566 1.00 0.00 N ATOM 1100 CA THR A 74 -1.073 8.227 10.041 1.00 0.00 C ATOM 1101 C THR A 74 0.088 7.233 9.960 1.00 0.00 C ATOM 1102 O THR A 74 1.091 7.497 9.298 1.00 0.00 O ATOM 1103 CB THR A 74 -2.297 7.798 9.229 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.911 8.021 7.875 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.492 8.731 9.434 1.00 0.00 C ATOM 0 H THR A 74 -0.355 9.558 8.591 1.00 0.00 H new ATOM 0 HA THR A 74 -1.358 8.262 11.092 1.00 0.00 H new ATOM 0 HB THR A 74 -2.578 6.782 9.506 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.967 7.179 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.333 8.382 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.773 8.736 10.487 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.222 9.741 9.126 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.087 6.111 10.642 1.00 0.00 N ATOM 1114 CA LYS A 75 0.934 5.077 10.656 1.00 0.00 C ATOM 1115 C LYS A 75 1.168 4.579 9.229 1.00 0.00 C ATOM 1116 O LYS A 75 2.307 4.341 8.830 1.00 0.00 O ATOM 1117 CB LYS A 75 0.559 3.968 11.641 1.00 0.00 C ATOM 1118 CG LYS A 75 1.733 3.011 11.863 1.00 0.00 C ATOM 1119 CD LYS A 75 2.669 3.536 12.954 1.00 0.00 C ATOM 1120 CE LYS A 75 3.724 4.475 12.366 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.969 4.420 13.165 1.00 0.00 N ATOM 0 H LYS A 75 -0.920 5.895 11.189 1.00 0.00 H new ATOM 0 HA LYS A 75 1.882 5.481 11.012 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.259 4.408 12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.299 3.414 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.357 2.027 12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.287 2.887 10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.090 4.063 13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.159 2.699 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.934 4.195 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.341 5.495 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.675 5.063 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.767 4.709 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.341 3.449 13.161 1.00 0.00 H new ATOM 1135 N PHE A 76 0.072 4.436 8.499 1.00 0.00 N ATOM 1136 CA PHE A 76 0.144 3.970 7.124 1.00 0.00 C ATOM 1137 C PHE A 76 -0.389 5.030 6.158 1.00 0.00 C ATOM 1138 O PHE A 76 -1.262 5.819 6.516 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.735 2.722 7.028 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.326 1.598 7.982 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.898 1.017 7.863 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.186 1.179 8.949 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.278 -0.026 8.748 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.806 0.136 9.834 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.418 -0.445 9.715 1.00 0.00 C ATOM 0 H PHE A 76 -0.871 4.634 8.833 1.00 0.00 H new ATOM 0 HA PHE A 76 1.179 3.760 6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.768 3.001 7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.704 2.346 6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.581 1.349 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.158 1.640 9.044 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.250 -0.487 8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.489 -0.196 10.602 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.707 -1.239 10.388 1.00 0.00 H new ATOM 1155 N LYS A 77 0.159 5.014 4.951 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.250 5.964 3.931 1.00 0.00 C ATOM 1157 C LYS A 77 -1.742 5.787 3.645 1.00 0.00 C ATOM 1158 O LYS A 77 -2.306 4.725 3.902 1.00 0.00 O ATOM 1159 CB LYS A 77 0.634 5.830 2.689 1.00 0.00 C ATOM 1160 CG LYS A 77 2.099 5.623 3.079 1.00 0.00 C ATOM 1161 CD LYS A 77 3.028 6.432 2.171 1.00 0.00 C ATOM 1162 CE LYS A 77 4.436 6.518 2.763 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.951 7.903 2.676 1.00 0.00 N ATOM 0 H LYS A 77 0.883 4.358 4.657 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.111 6.986 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.293 4.990 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.541 6.725 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.248 5.921 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.351 4.565 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.072 5.969 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.625 7.436 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.420 6.194 3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.103 5.841 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.908 7.944 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.985 8.199 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.323 8.541 3.205 1.00 0.00 H new ATOM 1177 N SER A 78 -2.340 6.845 3.118 1.00 0.00 N ATOM 1178 CA SER A 78 -3.757 6.821 2.794 1.00 0.00 C ATOM 1179 C SER A 78 -3.948 6.870 1.277 1.00 0.00 C ATOM 1180 O SER A 78 -3.899 5.839 0.608 1.00 0.00 O ATOM 1181 CB SER A 78 -4.494 7.984 3.459 1.00 0.00 C ATOM 1182 OG SER A 78 -5.041 7.617 4.723 1.00 0.00 O ATOM 0 H SER A 78 -1.869 7.725 2.907 1.00 0.00 H new ATOM 0 HA SER A 78 -4.179 5.892 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.808 8.821 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.294 8.328 2.804 1.00 0.00 H new ATOM 0 HG SER A 78 -5.065 8.402 5.309 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.161 8.078 0.778 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.359 8.275 -0.648 1.00 0.00 C ATOM 1190 C CYS A 79 -3.928 9.700 -1.001 1.00 0.00 C ATOM 1191 O CYS A 79 -3.200 9.911 -1.970 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.805 7.997 -1.062 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.395 6.303 -0.700 1.00 0.00 S ATOM 0 H CYS A 79 -4.201 8.931 1.336 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.748 7.564 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.456 8.709 -0.556 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.903 8.180 -2.132 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.397 10.642 -0.196 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.069 12.042 -0.411 1.00 0.00 C ATOM 1200 C VAL A 80 -2.599 12.277 -0.058 1.00 0.00 C ATOM 1201 O VAL A 80 -1.919 13.068 -0.710 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.025 12.931 0.387 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.548 14.385 0.388 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.453 12.823 -0.152 1.00 0.00 C ATOM 0 H VAL A 80 -5.001 10.464 0.606 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.198 12.308 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.029 12.578 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.245 14.996 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.558 14.443 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.501 14.753 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.112 13.465 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.473 13.137 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.793 11.790 -0.078 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.151 11.575 0.973 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.774 11.697 1.419 1.00 0.00 C ATOM 1216 C GLY A 81 0.200 11.488 0.257 1.00 0.00 C ATOM 1217 O GLY A 81 0.858 12.429 -0.183 1.00 0.00 O ATOM 0 H GLY A 81 -2.718 10.920 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.616 12.682 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.575 10.964 2.201 1.00 0.00 H new ATOM 1221 N CYS A 82 0.261 10.248 -0.206 1.00 0.00 N ATOM 1222 CA CYS A 82 1.143 9.904 -1.308 1.00 0.00 C ATOM 1223 C CYS A 82 1.017 10.987 -2.381 1.00 0.00 C ATOM 1224 O CYS A 82 2.016 11.493 -2.887 1.00 0.00 O ATOM 1225 CB CYS A 82 0.837 8.512 -1.864 1.00 0.00 C ATOM 1226 SG CYS A 82 2.308 7.843 -2.724 1.00 0.00 S ATOM 0 H CYS A 82 -0.286 9.470 0.162 1.00 0.00 H new ATOM 0 HA CYS A 82 2.173 9.864 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.544 7.844 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.005 8.564 -2.554 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.234 11.318 -2.703 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.552 12.330 -3.704 1.00 0.00 C ATOM 1233 C HIS A 83 0.068 13.679 -3.296 1.00 0.00 C ATOM 1234 O HIS A 83 0.523 14.435 -4.153 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.074 12.370 -3.905 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.677 11.270 -4.749 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.743 11.466 -5.531 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.324 9.951 -4.906 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.043 10.314 -6.152 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.198 9.346 -5.801 1.00 0.00 N ATOM 0 H HIS A 83 -1.055 10.890 -2.275 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.115 12.084 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.548 12.344 -2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.332 13.327 -4.358 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.246 12.347 -5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.498 9.462 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.862 10.189 -6.845 1.00 0.00 H new ATOM 1248 N VAL A 84 0.065 13.934 -1.996 1.00 0.00 N ATOM 1249 CA VAL A 84 0.621 15.172 -1.475 1.00 0.00 C ATOM 1250 C VAL A 84 2.134 15.179 -1.696 1.00 0.00 C ATOM 1251 O VAL A 84 2.732 16.236 -1.888 1.00 0.00 O ATOM 1252 CB VAL A 84 0.230 15.342 -0.005 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.881 16.591 0.593 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.291 15.386 0.156 1.00 0.00 C ATOM 0 H VAL A 84 -0.313 13.305 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 84 0.211 16.030 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 84 0.600 14.475 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.588 16.689 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.965 16.503 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.554 17.472 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.542 15.507 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.693 16.225 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.723 14.457 -0.215 1.00 0.00 H new ATOM 1264 N GLU A 85 2.711 13.986 -1.661 1.00 0.00 N ATOM 1265 CA GLU A 85 4.144 13.842 -1.855 1.00 0.00 C ATOM 1266 C GLU A 85 4.472 13.768 -3.348 1.00 0.00 C ATOM 1267 O GLU A 85 5.597 14.055 -3.754 1.00 0.00 O ATOM 1268 CB GLU A 85 4.676 12.614 -1.115 1.00 0.00 C ATOM 1269 CG GLU A 85 5.466 13.024 0.130 1.00 0.00 C ATOM 1270 CD GLU A 85 6.583 14.006 -0.228 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.899 14.091 -1.435 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.097 14.649 0.712 1.00 0.00 O ATOM 0 H GLU A 85 2.212 13.111 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 85 4.638 14.719 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.845 11.970 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.314 12.032 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.795 13.481 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.893 12.139 0.602 1.00 0.00 H new ATOM 1279 N VAL A 86 3.470 13.380 -4.123 1.00 0.00 N ATOM 1280 CA VAL A 86 3.639 13.264 -5.562 1.00 0.00 C ATOM 1281 C VAL A 86 3.303 14.604 -6.220 1.00 0.00 C ATOM 1282 O VAL A 86 3.916 14.981 -7.217 1.00 0.00 O ATOM 1283 CB VAL A 86 2.793 12.107 -6.096 1.00 0.00 C ATOM 1284 CG1 VAL A 86 2.785 12.095 -7.626 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.280 10.768 -5.539 1.00 0.00 C ATOM 0 H VAL A 86 2.539 13.142 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 86 4.675 13.032 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 86 1.768 12.257 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.177 11.263 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.368 13.032 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.805 11.981 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.661 9.963 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.317 10.607 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.209 10.779 -4.451 1.00 0.00 H new ATOM 1295 N ALA A 87 2.330 15.288 -5.634 1.00 0.00 N ATOM 1296 CA ALA A 87 1.906 16.577 -6.151 1.00 0.00 C ATOM 1297 C ALA A 87 3.132 17.360 -6.627 1.00 0.00 C ATOM 1298 O ALA A 87 3.043 18.148 -7.567 1.00 0.00 O ATOM 1299 CB ALA A 87 1.120 17.326 -5.073 1.00 0.00 C ATOM 0 H ALA A 87 1.824 14.973 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 87 1.244 16.447 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.802 18.294 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.244 16.743 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.754 17.476 -4.199 1.00 0.00 H new ATOM 1305 N GLY A 88 4.248 17.114 -5.957 1.00 0.00 N ATOM 1306 CA GLY A 88 5.490 17.785 -6.300 1.00 0.00 C ATOM 1307 C GLY A 88 5.303 19.304 -6.328 1.00 0.00 C ATOM 1308 O GLY A 88 4.305 19.819 -5.826 1.00 0.00 O ATOM 0 H GLY A 88 4.318 16.459 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.261 17.523 -5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.837 17.440 -7.274 1.00 0.00 H new ATOM 1312 N ALA A 89 6.279 19.977 -6.918 1.00 0.00 N ATOM 1313 CA ALA A 89 6.235 21.426 -7.017 1.00 0.00 C ATOM 1314 C ALA A 89 5.335 21.826 -8.188 1.00 0.00 C ATOM 1315 O ALA A 89 5.727 22.633 -9.030 1.00 0.00 O ATOM 1316 CB ALA A 89 7.657 21.972 -7.163 1.00 0.00 C ATOM 0 H ALA A 89 7.105 19.546 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 89 5.811 21.859 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.624 23.059 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.248 21.686 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.114 21.561 -8.063 1.00 0.00 H new ATOM 1322 N ASP A 90 4.145 21.243 -8.204 1.00 0.00 N ATOM 1323 CA ASP A 90 3.186 21.528 -9.258 1.00 0.00 C ATOM 1324 C ASP A 90 1.880 22.022 -8.632 1.00 0.00 C ATOM 1325 O ASP A 90 1.217 21.282 -7.907 1.00 0.00 O ATOM 1326 CB ASP A 90 2.874 20.272 -10.074 1.00 0.00 C ATOM 1327 CG ASP A 90 2.311 20.533 -11.472 1.00 0.00 C ATOM 1328 OD1 ASP A 90 1.171 21.041 -11.540 1.00 0.00 O ATOM 1329 OD2 ASP A 90 3.034 20.218 -12.443 1.00 0.00 O ATOM 0 H ASP A 90 3.823 20.575 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 90 3.619 22.284 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.786 19.683 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.160 19.664 -9.519 1.00 0.00 H new ATOM 1334 N ALA A 91 1.550 23.268 -8.936 1.00 0.00 N ATOM 1335 CA ALA A 91 0.335 23.870 -8.413 1.00 0.00 C ATOM 1336 C ALA A 91 -0.810 23.639 -9.401 1.00 0.00 C ATOM 1337 O ALA A 91 -1.756 24.423 -9.455 1.00 0.00 O ATOM 1338 CB ALA A 91 0.577 25.355 -8.138 1.00 0.00 C ATOM 0 H ALA A 91 2.103 23.878 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 91 0.054 23.406 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.335 25.806 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.379 25.464 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.860 25.855 -9.064 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.686 22.559 -10.159 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.699 22.215 -11.143 1.00 0.00 C ATOM 1346 C ALA A 92 -2.343 20.881 -10.761 1.00 0.00 C ATOM 1347 O ALA A 92 -3.567 20.770 -10.711 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.067 22.180 -12.536 1.00 0.00 C ATOM 0 H ALA A 92 0.100 21.911 -10.112 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.487 22.968 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.827 21.922 -13.274 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.650 23.159 -12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.273 21.434 -12.557 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.489 19.902 -10.501 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.959 18.580 -10.124 1.00 0.00 C ATOM 1356 C LYS A 93 -2.374 18.591 -8.651 1.00 0.00 C ATOM 1357 O LYS A 93 -3.128 17.725 -8.208 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.907 17.521 -10.459 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.898 17.211 -11.957 1.00 0.00 C ATOM 1360 CD LYS A 93 0.410 16.531 -12.368 1.00 0.00 C ATOM 1361 CE LYS A 93 0.667 15.282 -11.523 1.00 0.00 C ATOM 1362 NZ LYS A 93 -0.523 14.402 -11.522 1.00 0.00 N ATOM 0 H LYS A 93 -0.474 19.998 -10.544 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.843 18.311 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.078 17.872 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.111 16.610 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.741 16.565 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.026 18.133 -12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.367 16.259 -13.423 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.239 17.229 -12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.527 14.740 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.913 15.571 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.262 13.466 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.262 14.818 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.882 14.303 -12.493 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.863 19.580 -7.933 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.171 19.715 -6.520 1.00 0.00 C ATOM 1378 C LYS A 94 -3.647 20.083 -6.356 1.00 0.00 C ATOM 1379 O LYS A 94 -4.169 20.090 -5.242 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.213 20.707 -5.856 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.828 22.106 -5.795 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.543 22.333 -4.462 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.763 23.240 -4.641 1.00 0.00 C ATOM 1384 NZ LYS A 94 -4.867 22.806 -3.757 1.00 0.00 N ATOM 0 H LYS A 94 -1.238 20.296 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.020 18.766 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.973 20.367 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.276 20.742 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.048 22.856 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.533 22.233 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.855 21.375 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.853 22.782 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.493 24.271 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.091 23.217 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.727 23.343 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.045 21.791 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.606 22.979 -2.765 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.278 20.378 -7.483 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.684 20.746 -7.478 1.00 0.00 C ATOM 1400 C LYS A 95 -6.496 19.651 -8.173 1.00 0.00 C ATOM 1401 O LYS A 95 -7.648 19.868 -8.545 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.877 22.135 -8.091 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.280 22.672 -7.802 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.245 24.177 -7.527 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.823 24.495 -6.146 1.00 0.00 C ATOM 1406 NZ LYS A 95 -7.583 25.913 -5.798 1.00 0.00 N ATOM 0 H LYS A 95 -3.842 20.370 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.054 20.819 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.131 22.821 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.717 22.086 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.933 22.469 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.703 22.151 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.218 24.538 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.814 24.704 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.893 24.288 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.367 23.848 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.981 26.112 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.560 26.099 -5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.039 26.526 -6.504 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.863 18.497 -8.326 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.511 17.367 -8.969 1.00 0.00 C ATOM 1422 C ASP A 96 -6.239 16.099 -8.157 1.00 0.00 C ATOM 1423 O ASP A 96 -7.146 15.301 -7.923 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.966 17.150 -10.382 1.00 0.00 C ATOM 1425 CG ASP A 96 -6.308 18.255 -11.384 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -7.515 18.407 -11.671 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.354 18.922 -11.839 1.00 0.00 O ATOM 0 H ASP A 96 -4.908 18.320 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.579 17.577 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.882 17.054 -10.326 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.351 16.204 -10.762 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.987 15.952 -7.750 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.584 14.795 -6.970 1.00 0.00 C ATOM 1434 C LEU A 97 -5.075 14.960 -5.530 1.00 0.00 C ATOM 1435 O LEU A 97 -5.548 14.004 -4.917 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.075 14.570 -7.083 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.503 14.567 -8.502 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.061 14.056 -8.510 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.399 13.772 -9.453 1.00 0.00 C ATOM 0 H LEU A 97 -4.238 16.616 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.047 13.891 -7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.568 15.346 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.833 13.617 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.482 15.595 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.678 14.064 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.443 14.701 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.033 13.039 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.969 13.786 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.475 12.742 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.392 14.221 -9.478 1.00 0.00 H new ATOM 1451 N THR A 98 -4.945 16.181 -5.031 1.00 0.00 N ATOM 1452 CA THR A 98 -5.369 16.484 -3.674 1.00 0.00 C ATOM 1453 C THR A 98 -6.624 17.358 -3.691 1.00 0.00 C ATOM 1454 O THR A 98 -7.121 17.758 -2.639 1.00 0.00 O ATOM 1455 CB THR A 98 -4.189 17.129 -2.944 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.991 18.364 -3.626 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.879 16.369 -3.161 1.00 0.00 C ATOM 0 H THR A 98 -4.552 16.972 -5.542 1.00 0.00 H new ATOM 0 HA THR A 98 -5.649 15.579 -3.135 1.00 0.00 H new ATOM 0 HB THR A 98 -4.407 17.179 -1.877 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.629 18.435 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.075 16.869 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.985 15.349 -2.791 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.643 16.347 -4.225 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.103 17.628 -4.897 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.291 18.447 -5.064 1.00 0.00 C ATOM 1467 C GLY A 99 -9.451 17.909 -4.224 1.00 0.00 C ATOM 1468 O GLY A 99 -9.448 16.744 -3.829 1.00 0.00 O ATOM 0 H GLY A 99 -6.689 17.294 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.072 19.474 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.578 18.468 -6.115 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.416 18.782 -3.976 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.580 18.409 -3.191 1.00 0.00 C ATOM 1474 C CYS A 100 -12.772 18.263 -4.138 1.00 0.00 C ATOM 1475 O CYS A 100 -13.603 17.372 -3.964 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.857 19.419 -2.076 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.886 19.160 -0.547 1.00 0.00 S ATOM 0 H CYS A 100 -10.415 19.747 -4.305 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.396 17.458 -2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.653 20.421 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.917 19.382 -1.827 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.819 19.151 -5.120 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.896 19.132 -6.095 1.00 0.00 C ATOM 1484 C LYS A 101 -13.303 19.038 -7.502 1.00 0.00 C ATOM 1485 O LYS A 101 -12.445 19.837 -7.873 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.819 20.336 -5.897 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.820 20.455 -7.049 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.504 19.114 -7.322 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.986 19.310 -7.646 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.171 20.471 -8.545 1.00 0.00 N ATOM 0 H LYS A 101 -12.129 19.888 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.523 18.252 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.355 20.236 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.225 21.247 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.571 21.207 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.306 20.795 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.010 18.612 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.401 18.465 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.383 18.411 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.549 19.462 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.007 20.316 -9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.307 21.332 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.330 20.582 -9.146 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.783 18.053 -8.248 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.311 17.843 -9.606 1.00 0.00 C ATOM 1506 C LYS A 102 -12.041 16.990 -9.573 1.00 0.00 C ATOM 1507 O LYS A 102 -11.478 16.670 -10.619 1.00 0.00 O ATOM 1508 CB LYS A 102 -13.134 19.183 -10.324 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.428 19.046 -11.819 1.00 0.00 C ATOM 1510 CD LYS A 102 -14.859 19.482 -12.139 1.00 0.00 C ATOM 1511 CE LYS A 102 -15.145 19.369 -13.638 1.00 0.00 C ATOM 1512 NZ LYS A 102 -14.462 20.453 -14.379 1.00 0.00 N ATOM 0 H LYS A 102 -14.494 17.391 -7.937 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.051 17.292 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.800 19.926 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.116 19.544 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.724 19.652 -12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.282 18.011 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.564 18.864 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.011 20.511 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.808 18.400 -14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.219 19.421 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.760 20.434 -15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.713 21.371 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.433 20.317 -14.323 1.00 0.00 H new ATOM 1526 N SER A 103 -11.628 16.647 -8.362 1.00 0.00 N ATOM 1527 CA SER A 103 -10.435 15.837 -8.180 1.00 0.00 C ATOM 1528 C SER A 103 -10.636 14.460 -8.815 1.00 0.00 C ATOM 1529 O SER A 103 -11.768 14.035 -9.041 1.00 0.00 O ATOM 1530 CB SER A 103 -10.088 15.693 -6.697 1.00 0.00 C ATOM 1531 OG SER A 103 -9.012 14.783 -6.486 1.00 0.00 O ATOM 0 H SER A 103 -12.098 16.915 -7.497 1.00 0.00 H new ATOM 0 HA SER A 103 -9.602 16.339 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.822 16.669 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.966 15.349 -6.151 1.00 0.00 H new ATOM 0 HG SER A 103 -8.163 15.229 -6.686 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.519 13.799 -9.084 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.558 12.478 -9.688 1.00 0.00 C ATOM 1539 C LYS A 104 -10.371 11.538 -8.796 1.00 0.00 C ATOM 1540 O LYS A 104 -11.135 10.712 -9.292 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.141 11.979 -9.978 1.00 0.00 C ATOM 1542 CG LYS A 104 -7.879 11.918 -11.484 1.00 0.00 C ATOM 1543 CD LYS A 104 -8.453 13.147 -12.192 1.00 0.00 C ATOM 1544 CE LYS A 104 -9.703 12.783 -12.996 1.00 0.00 C ATOM 1545 NZ LYS A 104 -10.750 13.814 -12.821 1.00 0.00 N ATOM 0 H LYS A 104 -8.582 14.154 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.061 12.516 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.415 12.640 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.003 10.990 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.806 11.856 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.326 11.014 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.700 13.913 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.701 13.573 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.449 12.690 -14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.081 11.813 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.685 13.392 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.710 14.188 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.591 14.588 -13.497 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.178 11.695 -7.495 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.883 10.870 -6.528 1.00 0.00 C ATOM 1561 C CYS A 105 -12.327 11.368 -6.435 1.00 0.00 C ATOM 1562 O CYS A 105 -13.267 10.576 -6.433 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.188 10.877 -5.165 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.443 10.357 -5.350 1.00 0.00 S ATOM 0 H CYS A 105 -9.543 12.382 -7.087 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.878 9.832 -6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.234 11.875 -4.729 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.706 10.205 -4.480 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.463 12.692 -6.360 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.761 13.350 -6.265 1.00 0.00 C ATOM 1571 C HIS A 106 -14.040 14.139 -7.558 1.00 0.00 C ATOM 1572 O HIS A 106 -14.088 15.368 -7.534 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.795 14.200 -4.986 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.690 13.458 -3.674 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.665 12.669 -3.214 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.686 13.413 -2.736 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.284 12.152 -2.035 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.069 12.579 -1.693 1.00 0.00 N ATOM 0 H HIS A 106 -11.673 13.337 -6.364 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.571 12.625 -6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.979 14.921 -5.035 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.724 14.770 -4.981 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.553 12.489 -3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.747 13.943 -2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.884 11.478 -1.441 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.216 13.402 -8.644 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.488 14.020 -9.931 1.00 0.00 C ATOM 1588 C GLU A 107 -15.995 14.051 -10.197 1.00 0.00 C ATOM 1589 O GLU A 107 -16.589 15.123 -10.297 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.748 13.293 -11.056 1.00 0.00 C ATOM 1591 CG GLU A 107 -14.521 12.053 -11.509 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.675 11.194 -12.451 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.496 10.964 -12.105 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -14.226 10.786 -13.496 1.00 0.00 O ATOM 0 H GLU A 107 -14.176 12.383 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.122 15.046 -9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.609 13.968 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.755 13.002 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -14.814 11.465 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.439 12.356 -12.013 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.393 -4.145 -3.863 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.872 -4.477 -3.462 1.00 0.00 C HETATM 1604 CHB HEC A 108 -5.179 -7.474 -4.509 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.053 -3.753 -4.187 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.766 -0.735 -3.181 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.762 -5.641 -3.987 1.00 0.00 N HETATM 1608 C1A HEC A 108 -8.124 -5.615 -3.744 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.673 -6.948 -3.825 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.652 -7.781 -4.115 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.460 -6.973 -4.217 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.699 -9.270 -4.304 1.00 0.00 C HETATM 1613 CAA HEC A 108 -10.119 -7.295 -3.616 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.901 -7.496 -4.911 1.00 0.00 C HETATM 1615 CGA HEC A 108 -12.384 -7.219 -4.703 1.00 0.00 C HETATM 1616 O1A HEC A 108 -13.031 -8.061 -4.045 1.00 0.00 O HETATM 1617 O2A HEC A 108 -12.841 -6.170 -5.207 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.944 -5.351 -4.282 1.00 0.00 N HETATM 1619 C1B HEC A 108 -4.011 -6.718 -4.486 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.687 -7.263 -4.673 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.819 -6.233 -4.585 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.596 -5.041 -4.341 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.382 -8.712 -4.919 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.323 -6.273 -4.709 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.204 -7.479 -5.481 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.201 -2.537 -3.844 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.833 -2.566 -4.052 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.263 -1.260 -3.822 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.278 -0.440 -3.475 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.486 -1.230 -3.488 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.807 -0.923 -3.954 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.210 1.020 -3.134 1.00 0.00 C HETATM 1633 CBC HEC A 108 -1.907 1.696 -3.550 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.997 -2.858 -3.436 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.923 -1.507 -3.146 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.229 -0.998 -2.798 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.092 -2.032 -2.875 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.329 -3.193 -3.272 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.524 0.426 -2.427 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.569 -2.025 -2.609 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.933 -1.901 -1.132 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.441 -1.963 -0.933 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.093 -2.651 -1.747 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.913 -1.321 0.031 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -7.946 0.699 -1.544 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.253 1.081 -3.255 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.587 0.533 -2.212 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.228 -1.533 -3.261 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.478 -1.122 -4.974 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.655 0.131 -3.723 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.741 -9.307 -4.079 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.878 -9.038 -5.833 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.305 -8.845 -5.023 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -8.063 -9.741 -3.391 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.369 -9.511 -5.129 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.699 -9.640 -4.529 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.455 -2.702 -0.568 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.549 -0.960 -0.737 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.069 1.210 -3.050 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -1.782 1.613 -4.630 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -1.937 2.749 -3.268 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.101 -8.396 -4.976 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.202 -7.469 -6.493 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.292 -7.435 -5.526 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -10.509 -6.834 -5.683 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -10.765 -8.517 -5.267 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.022 -1.198 -3.155 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.003 -2.943 -3.004 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.181 -8.206 -3.021 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.592 -6.502 -3.037 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.858 0.327 -2.955 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.968 -3.655 -4.170 1.00 0.00 H new HETATM 0 HHB HEC A 108 -5.095 -8.529 -4.772 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.953 -4.587 -3.383 1.00 0.00 H new HETATM 0 H2D HEC A 108 -12.839 -0.360 -0.148 1.00 0.00 H new HETATM 0 H2A HEC A 108 -13.798 -6.102 -5.009 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.481 -0.027 8.248 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.676 1.553 10.786 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.631 2.398 6.085 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.988 -1.854 5.787 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.453 -2.446 10.645 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.353 1.600 8.414 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.741 2.146 9.529 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.171 3.433 9.208 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.434 3.670 7.906 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.170 2.532 7.407 1.00 0.00 C HETATM 1687 CMA HEC A 109 -4.054 4.872 7.090 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.431 4.310 10.176 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.282 5.422 10.782 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.626 5.997 12.029 1.00 0.00 C HETATM 1691 O1A HEC A 109 -2.445 5.655 12.258 1.00 0.00 O HETATM 1692 O2A HEC A 109 -4.317 6.767 12.731 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.769 0.226 6.357 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.310 1.287 5.596 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.636 1.083 4.204 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.290 -0.095 4.118 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.375 -0.632 5.456 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.292 2.032 3.093 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.840 -0.759 2.890 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.811 -0.970 1.784 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.530 -1.794 8.256 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.208 -2.304 7.162 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.010 -3.439 7.555 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.823 -3.618 8.879 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.902 -2.597 9.320 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.876 -4.240 6.627 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.432 -4.665 9.765 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.206 -6.095 9.283 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.146 -0.381 10.303 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.619 -1.423 11.083 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.121 -1.303 12.433 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.351 -0.195 12.476 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.364 0.382 11.152 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.430 -2.257 13.550 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.605 0.367 13.651 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.108 0.072 13.635 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.816 -1.308 14.208 1.00 0.00 C HETATM 1718 O1D HEC A 109 -3.718 -1.843 14.888 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.696 -1.801 13.955 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.506 -2.281 13.721 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.083 -3.255 13.283 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.925 -1.929 14.459 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.629 -3.591 6.181 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.260 -4.676 5.840 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.368 -5.036 7.185 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.760 2.998 3.282 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.210 2.156 3.042 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.656 1.632 2.147 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.498 5.765 7.530 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.969 4.975 7.077 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.419 4.750 6.070 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.733 0.132 12.613 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.579 0.829 14.214 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.644 -6.219 8.292 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.136 -6.298 9.235 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.676 -6.792 9.977 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.407 -0.006 1.474 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -6.002 -1.600 2.155 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.287 -1.455 0.932 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.429 6.213 10.047 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.269 5.033 11.033 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.752 1.447 13.679 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.035 -0.037 14.568 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.034 3.691 10.981 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.577 4.757 9.666 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.782 -3.182 11.379 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.317 -2.502 4.974 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.443 3.222 5.396 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.048 2.029 11.539 1.00 0.00 H new HETATM 0 H2D HEC A 109 -1.624 -2.683 14.375 1.00 0.00 H new HETATM 0 H2A HEC A 109 -4.798 7.395 12.152 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.093 7.470 -6.295 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.887 8.605 -9.664 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.601 7.648 -6.663 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.490 6.143 -3.231 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.263 7.366 -6.162 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.465 8.014 -7.863 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.167 8.455 -9.140 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.380 8.741 -9.868 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.412 8.476 -9.039 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.847 8.024 -7.789 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.881 8.612 -9.318 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.436 9.238 -11.283 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.618 8.136 -12.322 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.725 8.370 -13.531 1.00 0.00 C HETATM 1766 O1A HEC A 110 -3.997 7.420 -13.892 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.786 9.495 -14.073 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.725 7.055 -5.175 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.068 7.084 -5.508 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.853 6.441 -4.481 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.993 6.023 -3.528 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.667 6.403 -3.956 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.346 6.289 -4.510 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.309 5.298 -2.253 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.406 4.246 -2.391 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.872 7.012 -4.957 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.170 6.575 -3.678 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.956 6.285 -2.952 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.075 6.543 -3.784 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.490 6.996 -5.033 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.900 5.789 -1.537 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.543 6.402 -3.507 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.891 5.243 -2.577 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.632 7.915 -7.643 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.282 7.772 -7.376 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.498 8.106 -8.545 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.373 8.449 -9.517 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.700 8.332 -8.960 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.996 8.063 -8.618 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.066 8.878 -10.923 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.262 10.370 -11.174 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.068 10.732 -12.615 1.00 0.00 C HETATM 1793 O1D HEC A 110 -0.646 11.601 -13.160 1.00 0.00 O HETATM 1794 O2D HEC A 110 1.029 10.133 -13.144 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.416 8.745 -7.879 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.341 7.050 -8.414 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.320 8.363 -9.614 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.374 6.516 -0.878 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.425 4.836 -1.464 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.140 5.654 -1.240 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.811 7.274 -4.549 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.636 5.716 -5.390 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.676 5.767 -3.612 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.110 9.649 -9.566 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.153 7.970 -10.156 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.448 8.316 -8.435 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.293 10.646 -10.953 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.373 10.942 -10.498 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.395 5.385 -1.617 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.557 4.306 -3.022 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.970 5.209 -2.427 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.327 4.723 -2.726 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.100 3.495 -3.120 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.575 3.768 -1.426 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.385 7.169 -11.876 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.661 8.098 -12.638 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.966 8.613 -11.155 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.701 8.318 -11.610 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.257 9.949 -11.375 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.517 9.782 -11.503 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.349 7.332 -6.080 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.568 5.594 -2.293 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.678 7.810 -6.697 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.798 8.959 -10.691 1.00 0.00 H new HETATM 0 H2D HEC A 110 0.999 10.261 -14.115 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.169 9.525 -14.834 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.088 12.147 -0.152 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.329 9.847 1.099 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.749 14.667 1.499 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.603 14.386 -1.042 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.530 9.636 -1.942 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.700 12.232 1.044 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.500 11.181 1.456 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.554 11.662 2.318 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.396 12.998 2.431 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.243 13.357 1.639 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.233 13.964 3.217 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.607 10.799 2.950 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.364 10.503 4.427 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.655 10.102 5.125 1.00 0.00 C HETATM 1841 O1A HEC A 111 -18.040 10.828 6.067 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.233 9.077 4.704 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.716 14.103 0.219 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.583 15.001 0.817 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.108 16.353 0.636 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.959 16.278 -0.068 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.711 14.880 -0.330 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.798 17.582 1.152 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.075 17.406 -0.516 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.824 17.590 0.338 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.353 12.006 -1.242 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.458 13.015 -1.552 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.452 12.528 -2.467 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.734 11.231 -2.713 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.916 10.902 -1.953 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.322 13.349 -3.016 1.00 0.00 C HETATM 1857 CAC HEC A 111 -7.989 10.276 -3.600 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.476 10.478 -3.597 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.398 10.166 -0.420 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.593 9.282 -1.117 1.00 0.00 C HETATM 1861 C2D HEC A 111 -12.010 7.922 -0.869 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.062 7.977 -0.026 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.308 9.372 0.256 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.362 6.704 -1.460 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.857 6.834 0.536 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.846 6.221 -0.450 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.832 5.305 0.260 1.00 0.00 C HETATM 1868 O1D HEC A 111 -17.039 5.428 -0.040 1.00 0.00 O HETATM 1869 O2D HEC A 111 -15.360 4.498 1.090 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.423 6.751 -2.547 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.316 6.665 -1.157 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.876 5.810 -1.106 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.724 14.196 -3.572 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.705 13.714 -2.195 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.715 12.734 -3.680 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.797 17.647 0.720 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.876 17.527 2.238 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.224 18.466 0.874 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.261 13.933 2.855 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.212 13.690 4.272 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.836 14.972 3.096 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.388 7.013 -0.966 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.305 5.658 -1.210 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.243 11.485 -3.942 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.093 10.343 -2.586 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.010 9.750 -4.262 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.114 17.798 1.368 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.225 16.680 0.307 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.238 18.424 -0.050 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.630 9.703 4.525 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.942 11.383 4.913 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.170 6.059 0.874 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.403 7.181 1.413 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.575 11.288 2.843 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.664 9.856 2.406 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.146 8.880 -2.627 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.783 15.078 -1.232 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.319 15.476 1.956 1.00 0.00 H new HETATM 0 HHA HEC A 111 -15.035 9.120 1.500 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.305 4.927 1.969 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.045 8.921 5.229 1.00 0.00 H new