USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 14 THR OG1 : rot -140:sc= -0.902 USER MOD Set 1.2: A 111 HEC O2D : rot -40:sc= -1.45! USER MOD Set 2.1: A 11 MET CE :methyl -145:sc= -4.87! (180deg=-1.11) USER MOD Set 2.2: A 108 HEC O2D : rot -140:sc= -2.94! USER MOD Single : A 1 ALA N :NH3+ -107:sc= -2.84! (180deg=-6.61!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.317) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.3! C(o=-7.3!,f=-13!) USER MOD Single : A 21 ASN : amide:sc= -0.674 K(o=-0.67,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.112 USER MOD Single : A 24 THR OG1 : rot -9:sc= 0.444 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -0.0531 (180deg=-0.416) USER MOD Single : A 38 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.14) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc=-0.00905 (180deg=-0.85) USER MOD Single : A 43 TYR OH : rot 30:sc= -3.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 174:sc= -2.25! USER MOD Single : A 54 SER OG : rot -161:sc= 0.296 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.092 (180deg=-0.092) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 83:sc= 0.957 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -146:sc= 0.764 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-11!) USER MOD Single : A 69 MET CE :methyl -155:sc= -7.51! (180deg=-9.55!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.6!) USER MOD Single : A 74 THR OG1 : rot 117:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.593) USER MOD Single : A 78 SER OG : rot 150:sc= -3.21! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= -3.1! (180deg=-3.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -12:sc= -0.298! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 91:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 165:sc= 0 USER MOD Single : A 109 HEC O2A : rot 180:sc= 0.952 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot 180:sc= 0 USER MOD Single : A 111 HEC O2A : rot 165:sc= -0.203 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.197 -13.226 -1.460 1.00 0.00 N ATOM 2 CA ALA A 1 1.259 -13.490 -2.888 1.00 0.00 C ATOM 3 C ALA A 1 -0.157 -13.487 -3.465 1.00 0.00 C ATOM 4 O ALA A 1 -0.623 -14.458 -4.057 1.00 0.00 O ATOM 5 CB ALA A 1 1.985 -14.814 -3.131 1.00 0.00 C ATOM 0 H1 ALA A 1 1.538 -12.262 -1.270 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.214 -13.317 -1.133 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.795 -13.910 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 1 1.824 -12.710 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.032 -15.012 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.996 -14.754 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.445 -15.621 -2.636 1.00 0.00 H new ATOM 13 N PRO A 2 -0.841 -12.356 -3.277 1.00 0.00 N ATOM 14 CA PRO A 2 -2.194 -12.133 -3.740 1.00 0.00 C ATOM 15 C PRO A 2 -2.169 -11.691 -5.196 1.00 0.00 C ATOM 16 O PRO A 2 -1.197 -11.059 -5.608 1.00 0.00 O ATOM 17 CB PRO A 2 -2.739 -11.026 -2.841 1.00 0.00 C ATOM 18 CG PRO A 2 -1.435 -10.151 -2.683 1.00 0.00 C ATOM 19 CD PRO A 2 -0.325 -11.195 -2.585 1.00 0.00 C ATOM 0 HA PRO A 2 -2.812 -13.029 -3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.559 -10.476 -3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.107 -11.404 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.290 -9.487 -3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.477 -9.523 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.595 -10.837 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.091 -11.426 -1.546 1.00 0.00 H new ATOM 27 N LYS A 3 -3.216 -12.024 -5.937 1.00 0.00 N ATOM 28 CA LYS A 3 -3.289 -11.652 -7.339 1.00 0.00 C ATOM 29 C LYS A 3 -3.773 -10.205 -7.453 1.00 0.00 C ATOM 30 O LYS A 3 -4.281 -9.638 -6.487 1.00 0.00 O ATOM 31 CB LYS A 3 -4.151 -12.651 -8.114 1.00 0.00 C ATOM 32 CG LYS A 3 -3.357 -13.914 -8.452 1.00 0.00 C ATOM 33 CD LYS A 3 -4.288 -15.113 -8.643 1.00 0.00 C ATOM 34 CE LYS A 3 -4.196 -16.073 -7.455 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.563 -17.346 -7.866 1.00 0.00 N ATOM 0 H LYS A 3 -4.021 -12.548 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.301 -11.696 -7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.028 -12.916 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.513 -12.188 -9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.777 -13.751 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.646 -14.125 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.315 -14.766 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.026 -15.639 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.617 -15.614 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.193 -16.267 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.508 -17.986 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.131 -17.790 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.605 -17.158 -8.223 1.00 0.00 H new ATOM 49 N ALA A 4 -3.597 -9.648 -8.643 1.00 0.00 N ATOM 50 CA ALA A 4 -4.009 -8.278 -8.895 1.00 0.00 C ATOM 51 C ALA A 4 -5.163 -8.273 -9.899 1.00 0.00 C ATOM 52 O ALA A 4 -4.976 -8.168 -11.109 1.00 0.00 O ATOM 53 CB ALA A 4 -2.808 -7.466 -9.385 1.00 0.00 C ATOM 0 H ALA A 4 -3.175 -10.121 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.368 -7.811 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.117 -6.438 -9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.027 -7.476 -8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.423 -7.905 -10.306 1.00 0.00 H new ATOM 59 N PRO A 5 -6.379 -8.392 -9.361 1.00 0.00 N ATOM 60 CA PRO A 5 -7.610 -8.410 -10.122 1.00 0.00 C ATOM 61 C PRO A 5 -7.538 -7.373 -11.233 1.00 0.00 C ATOM 62 O PRO A 5 -6.680 -6.494 -11.171 1.00 0.00 O ATOM 63 CB PRO A 5 -8.700 -8.055 -9.112 1.00 0.00 C ATOM 64 CG PRO A 5 -8.155 -8.621 -7.824 1.00 0.00 C ATOM 65 CD PRO A 5 -6.636 -8.518 -7.942 1.00 0.00 C ATOM 0 HA PRO A 5 -7.802 -9.372 -10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.857 -6.978 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.659 -8.501 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.520 -8.060 -6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.468 -9.656 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.255 -7.656 -7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.147 -9.400 -7.529 1.00 0.00 H new ATOM 73 N ALA A 6 -8.421 -7.492 -12.214 1.00 0.00 N ATOM 74 CA ALA A 6 -8.436 -6.555 -13.325 1.00 0.00 C ATOM 75 C ALA A 6 -9.201 -5.296 -12.913 1.00 0.00 C ATOM 76 O ALA A 6 -10.158 -5.370 -12.144 1.00 0.00 O ATOM 77 CB ALA A 6 -9.045 -7.231 -14.555 1.00 0.00 C ATOM 0 H ALA A 6 -9.131 -8.223 -12.263 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.422 -6.254 -13.587 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.056 -6.528 -15.388 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.449 -8.103 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.065 -7.544 -14.331 1.00 0.00 H new ATOM 83 N ASP A 7 -8.752 -4.168 -13.445 1.00 0.00 N ATOM 84 CA ASP A 7 -9.382 -2.895 -13.143 1.00 0.00 C ATOM 85 C ASP A 7 -10.903 -3.057 -13.199 1.00 0.00 C ATOM 86 O ASP A 7 -11.405 -4.066 -13.691 1.00 0.00 O ATOM 87 CB ASP A 7 -8.983 -1.827 -14.163 1.00 0.00 C ATOM 88 CG ASP A 7 -7.866 -2.237 -15.125 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.863 -2.792 -14.627 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.041 -1.986 -16.337 1.00 0.00 O ATOM 0 H ASP A 7 -7.959 -4.110 -14.084 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.056 -2.585 -12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.863 -1.556 -14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.669 -0.932 -13.626 1.00 0.00 H new ATOM 95 N GLY A 8 -11.593 -2.048 -12.688 1.00 0.00 N ATOM 96 CA GLY A 8 -13.045 -2.066 -12.674 1.00 0.00 C ATOM 97 C GLY A 8 -13.580 -2.069 -11.240 1.00 0.00 C ATOM 98 O GLY A 8 -14.737 -2.414 -11.006 1.00 0.00 O ATOM 0 H GLY A 8 -11.173 -1.213 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.428 -1.196 -13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.406 -2.948 -13.203 1.00 0.00 H new ATOM 102 N LEU A 9 -12.711 -1.681 -10.318 1.00 0.00 N ATOM 103 CA LEU A 9 -13.081 -1.634 -8.914 1.00 0.00 C ATOM 104 C LEU A 9 -13.208 -0.175 -8.473 1.00 0.00 C ATOM 105 O LEU A 9 -12.283 0.616 -8.655 1.00 0.00 O ATOM 106 CB LEU A 9 -12.095 -2.447 -8.073 1.00 0.00 C ATOM 107 CG LEU A 9 -11.219 -1.647 -7.107 1.00 0.00 C ATOM 108 CD1 LEU A 9 -12.002 -1.253 -5.854 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.939 -2.414 -6.766 1.00 0.00 C ATOM 0 H LEU A 9 -11.752 -1.396 -10.516 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.055 -2.099 -8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.658 -3.182 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.444 -3.002 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.920 -0.723 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.356 -0.685 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.858 -0.641 -6.137 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.351 -2.152 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.334 -1.824 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.198 -3.364 -6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.373 -2.601 -7.678 1.00 0.00 H new ATOM 121 N LYS A 10 -14.361 0.139 -7.900 1.00 0.00 N ATOM 122 CA LYS A 10 -14.621 1.490 -7.431 1.00 0.00 C ATOM 123 C LYS A 10 -15.225 1.430 -6.027 1.00 0.00 C ATOM 124 O LYS A 10 -16.042 0.558 -5.735 1.00 0.00 O ATOM 125 CB LYS A 10 -15.484 2.250 -8.440 1.00 0.00 C ATOM 126 CG LYS A 10 -16.919 1.718 -8.446 1.00 0.00 C ATOM 127 CD LYS A 10 -16.985 0.324 -9.072 1.00 0.00 C ATOM 128 CE LYS A 10 -18.136 0.228 -10.075 1.00 0.00 C ATOM 129 NZ LYS A 10 -19.418 0.584 -9.429 1.00 0.00 N ATOM 0 H LYS A 10 -15.126 -0.519 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.691 2.053 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.487 3.312 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.053 2.155 -9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.301 1.681 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.561 2.401 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.043 0.101 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.116 -0.424 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.949 0.895 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.193 -0.784 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.204 0.159 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.426 0.226 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.526 1.618 -9.419 1.00 0.00 H new ATOM 143 N MET A 11 -14.800 2.369 -5.194 1.00 0.00 N ATOM 144 CA MET A 11 -15.288 2.434 -3.828 1.00 0.00 C ATOM 145 C MET A 11 -16.320 3.552 -3.667 1.00 0.00 C ATOM 146 O MET A 11 -16.020 4.719 -3.913 1.00 0.00 O ATOM 147 CB MET A 11 -14.115 2.681 -2.877 1.00 0.00 C ATOM 148 CG MET A 11 -12.911 1.817 -3.257 1.00 0.00 C ATOM 149 SD MET A 11 -11.399 2.729 -2.993 1.00 0.00 S ATOM 150 CE MET A 11 -11.159 2.434 -1.249 1.00 0.00 C ATOM 0 H MET A 11 -14.123 3.091 -5.440 1.00 0.00 H new ATOM 0 HA MET A 11 -15.768 1.485 -3.588 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.835 3.734 -2.905 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.418 2.459 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.904 0.905 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.985 1.514 -4.301 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.720 3.318 -0.787 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.120 2.220 -0.781 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.491 1.584 -1.112 1.00 0.00 H new ATOM 160 N GLU A 12 -17.515 3.156 -3.254 1.00 0.00 N ATOM 161 CA GLU A 12 -18.593 4.111 -3.058 1.00 0.00 C ATOM 162 C GLU A 12 -19.515 3.645 -1.929 1.00 0.00 C ATOM 163 O GLU A 12 -20.711 3.449 -2.140 1.00 0.00 O ATOM 164 CB GLU A 12 -19.378 4.326 -4.353 1.00 0.00 C ATOM 165 CG GLU A 12 -20.051 3.029 -4.809 1.00 0.00 C ATOM 166 CD GLU A 12 -21.486 3.289 -5.271 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.131 4.163 -4.653 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.906 2.607 -6.230 1.00 0.00 O ATOM 0 H GLU A 12 -17.761 2.187 -3.050 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.157 5.069 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.133 5.097 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.707 4.686 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.478 2.584 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.053 2.309 -3.991 1.00 0.00 H new ATOM 175 N ALA A 13 -18.924 3.481 -0.755 1.00 0.00 N ATOM 176 CA ALA A 13 -19.677 3.042 0.408 1.00 0.00 C ATOM 177 C ALA A 13 -20.372 4.247 1.044 1.00 0.00 C ATOM 178 O ALA A 13 -21.486 4.129 1.553 1.00 0.00 O ATOM 179 CB ALA A 13 -18.741 2.327 1.383 1.00 0.00 C ATOM 0 H ALA A 13 -17.932 3.644 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.450 2.330 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.306 1.998 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.296 1.462 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.953 3.011 1.698 1.00 0.00 H new ATOM 185 N THR A 14 -19.687 5.380 0.995 1.00 0.00 N ATOM 186 CA THR A 14 -20.224 6.605 1.561 1.00 0.00 C ATOM 187 C THR A 14 -20.968 7.406 0.491 1.00 0.00 C ATOM 188 O THR A 14 -21.414 6.846 -0.509 1.00 0.00 O ATOM 189 CB THR A 14 -19.069 7.376 2.203 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.483 8.090 1.119 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.949 6.454 2.690 1.00 0.00 C ATOM 0 H THR A 14 -18.764 5.475 0.572 1.00 0.00 H new ATOM 0 HA THR A 14 -20.962 6.392 2.335 1.00 0.00 H new ATOM 0 HB THR A 14 -19.446 7.963 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.507 8.076 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.154 7.051 3.137 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.345 5.762 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.549 5.891 1.847 1.00 0.00 H new ATOM 199 N LYS A 15 -21.078 8.703 0.737 1.00 0.00 N ATOM 200 CA LYS A 15 -21.760 9.586 -0.193 1.00 0.00 C ATOM 201 C LYS A 15 -20.746 10.152 -1.189 1.00 0.00 C ATOM 202 O LYS A 15 -20.925 11.254 -1.705 1.00 0.00 O ATOM 203 CB LYS A 15 -22.543 10.660 0.564 1.00 0.00 C ATOM 204 CG LYS A 15 -23.535 10.028 1.543 1.00 0.00 C ATOM 205 CD LYS A 15 -24.771 10.912 1.718 1.00 0.00 C ATOM 206 CE LYS A 15 -25.987 10.298 1.020 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.674 11.311 0.188 1.00 0.00 N ATOM 0 H LYS A 15 -20.706 9.164 1.568 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.500 9.032 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.852 11.304 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.078 11.292 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.835 9.045 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.052 9.876 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.983 11.041 2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.575 11.903 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.672 9.461 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -26.678 9.900 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -27.496 10.878 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.992 12.097 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.017 11.671 -0.533 1.00 0.00 H new ATOM 221 N GLN A 16 -19.702 9.372 -1.430 1.00 0.00 N ATOM 222 CA GLN A 16 -18.659 9.781 -2.355 1.00 0.00 C ATOM 223 C GLN A 16 -17.969 8.554 -2.954 1.00 0.00 C ATOM 224 O GLN A 16 -17.150 7.892 -2.320 1.00 0.00 O ATOM 225 CB GLN A 16 -17.646 10.700 -1.668 1.00 0.00 C ATOM 226 CG GLN A 16 -18.083 11.025 -0.238 1.00 0.00 C ATOM 227 CD GLN A 16 -18.992 12.256 -0.210 1.00 0.00 C ATOM 228 OE1 GLN A 16 -20.092 12.235 0.319 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.474 13.325 -0.806 1.00 0.00 N ATOM 0 H GLN A 16 -19.556 8.458 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.120 10.345 -3.166 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.667 10.221 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.541 11.623 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.608 10.171 0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.205 11.202 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.547 13.274 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.003 14.196 -0.840 1.00 0.00 H new ATOM 238 N PRO A 17 -18.324 8.263 -4.207 1.00 0.00 N ATOM 239 CA PRO A 17 -17.796 7.150 -4.967 1.00 0.00 C ATOM 240 C PRO A 17 -16.441 7.526 -5.549 1.00 0.00 C ATOM 241 O PRO A 17 -16.326 8.597 -6.143 1.00 0.00 O ATOM 242 CB PRO A 17 -18.820 6.911 -6.075 1.00 0.00 C ATOM 243 CG PRO A 17 -19.352 8.307 -6.330 1.00 0.00 C ATOM 244 CD PRO A 17 -19.284 9.020 -4.981 1.00 0.00 C ATOM 0 HA PRO A 17 -17.645 6.256 -4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.362 6.481 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.608 6.227 -5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.753 8.825 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.374 8.275 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.968 10.057 -5.098 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.259 9.037 -4.494 1.00 0.00 H new ATOM 252 N VAL A 18 -15.456 6.658 -5.370 1.00 0.00 N ATOM 253 CA VAL A 18 -14.123 6.922 -5.885 1.00 0.00 C ATOM 254 C VAL A 18 -13.573 5.653 -6.539 1.00 0.00 C ATOM 255 O VAL A 18 -13.409 4.630 -5.877 1.00 0.00 O ATOM 256 CB VAL A 18 -13.226 7.454 -4.765 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.811 7.726 -5.279 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.829 8.708 -4.128 1.00 0.00 C ATOM 0 H VAL A 18 -15.554 5.771 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.156 7.695 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.161 6.686 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.194 8.103 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.379 6.802 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.850 8.467 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.172 9.065 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.939 9.484 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.806 8.469 -3.709 1.00 0.00 H new ATOM 268 N VAL A 19 -13.303 5.762 -7.832 1.00 0.00 N ATOM 269 CA VAL A 19 -12.775 4.636 -8.583 1.00 0.00 C ATOM 270 C VAL A 19 -11.264 4.546 -8.365 1.00 0.00 C ATOM 271 O VAL A 19 -10.605 5.560 -8.139 1.00 0.00 O ATOM 272 CB VAL A 19 -13.160 4.765 -10.059 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.085 5.522 -10.841 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.424 3.391 -10.678 1.00 0.00 C ATOM 0 H VAL A 19 -13.440 6.613 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.210 3.702 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.084 5.341 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.383 5.600 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.966 6.521 -10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.139 4.985 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.696 3.511 -11.727 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.525 2.779 -10.603 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.240 2.903 -10.145 1.00 0.00 H new ATOM 284 N PHE A 20 -10.758 3.324 -8.441 1.00 0.00 N ATOM 285 CA PHE A 20 -9.336 3.089 -8.255 1.00 0.00 C ATOM 286 C PHE A 20 -8.882 1.842 -9.015 1.00 0.00 C ATOM 287 O PHE A 20 -9.340 0.736 -8.730 1.00 0.00 O ATOM 288 CB PHE A 20 -9.112 2.870 -6.757 1.00 0.00 C ATOM 289 CG PHE A 20 -8.079 1.788 -6.435 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.452 0.480 -6.400 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.788 2.133 -6.184 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.494 -0.524 -6.101 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.830 1.129 -5.885 1.00 0.00 C ATOM 294 CZ PHE A 20 -6.203 -0.178 -5.850 1.00 0.00 C ATOM 0 H PHE A 20 -11.308 2.486 -8.629 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.766 3.938 -8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.792 3.809 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.061 2.601 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.477 0.205 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.491 3.171 -6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.790 -1.562 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.805 1.403 -5.685 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.474 -0.942 -5.623 1.00 0.00 H new ATOM 304 N ASN A 21 -7.987 2.061 -9.967 1.00 0.00 N ATOM 305 CA ASN A 21 -7.466 0.968 -10.770 1.00 0.00 C ATOM 306 C ASN A 21 -6.062 0.607 -10.283 1.00 0.00 C ATOM 307 O ASN A 21 -5.213 1.478 -10.106 1.00 0.00 O ATOM 308 CB ASN A 21 -7.368 1.366 -12.244 1.00 0.00 C ATOM 309 CG ASN A 21 -8.632 2.097 -12.701 1.00 0.00 C ATOM 310 OD1 ASN A 21 -9.524 1.528 -13.307 1.00 0.00 O ATOM 311 ND2 ASN A 21 -8.658 3.387 -12.376 1.00 0.00 N ATOM 0 H ASN A 21 -7.609 2.979 -10.200 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.146 0.122 -10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.499 2.007 -12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.217 0.476 -12.855 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.459 3.962 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.877 3.801 -11.867 1.00 0.00 H new ATOM 318 N HIS A 22 -5.854 -0.693 -10.076 1.00 0.00 N ATOM 319 CA HIS A 22 -4.578 -1.227 -9.611 1.00 0.00 C ATOM 320 C HIS A 22 -3.471 -0.889 -10.627 1.00 0.00 C ATOM 321 O HIS A 22 -2.311 -0.736 -10.248 1.00 0.00 O ATOM 322 CB HIS A 22 -4.740 -2.728 -9.330 1.00 0.00 C ATOM 323 CG HIS A 22 -5.314 -3.110 -7.985 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.616 -3.345 -7.799 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.714 -3.290 -6.762 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.820 -3.659 -6.510 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.678 -3.640 -5.825 1.00 0.00 N ATOM 0 H HIS A 22 -6.568 -1.405 -10.227 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.270 -0.765 -8.673 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.379 -3.152 -10.105 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.762 -3.200 -9.429 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.337 -3.294 -8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.659 -3.177 -6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.784 -3.896 -6.084 1.00 0.00 H new ATOM 335 N SER A 23 -3.870 -0.782 -11.886 1.00 0.00 N ATOM 336 CA SER A 23 -2.928 -0.466 -12.945 1.00 0.00 C ATOM 337 C SER A 23 -2.220 0.855 -12.638 1.00 0.00 C ATOM 338 O SER A 23 -1.005 0.965 -12.800 1.00 0.00 O ATOM 339 CB SER A 23 -3.630 -0.389 -14.302 1.00 0.00 C ATOM 340 OG SER A 23 -4.377 0.817 -14.449 1.00 0.00 O ATOM 0 H SER A 23 -4.833 -0.909 -12.196 1.00 0.00 H new ATOM 0 HA SER A 23 -2.188 -1.265 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.888 -0.456 -15.098 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.296 -1.244 -14.415 1.00 0.00 H new ATOM 0 HG SER A 23 -4.809 0.829 -15.329 1.00 0.00 H new ATOM 346 N THR A 24 -3.009 1.825 -12.200 1.00 0.00 N ATOM 347 CA THR A 24 -2.473 3.134 -11.869 1.00 0.00 C ATOM 348 C THR A 24 -1.744 3.087 -10.524 1.00 0.00 C ATOM 349 O THR A 24 -1.152 4.075 -10.094 1.00 0.00 O ATOM 350 CB THR A 24 -3.626 4.139 -11.899 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.576 3.606 -10.980 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.366 4.141 -13.239 1.00 0.00 C ATOM 0 H THR A 24 -4.016 1.730 -12.067 1.00 0.00 H new ATOM 0 HA THR A 24 -1.727 3.451 -12.598 1.00 0.00 H new ATOM 0 HB THR A 24 -3.241 5.138 -11.694 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.301 2.705 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.174 4.871 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.672 4.403 -14.038 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.779 3.150 -13.428 1.00 0.00 H new ATOM 360 N HIS A 25 -1.809 1.917 -9.888 1.00 0.00 N ATOM 361 CA HIS A 25 -1.175 1.682 -8.596 1.00 0.00 C ATOM 362 C HIS A 25 -0.616 0.249 -8.543 1.00 0.00 C ATOM 363 O HIS A 25 -0.838 -0.466 -7.567 1.00 0.00 O ATOM 364 CB HIS A 25 -2.181 2.009 -7.482 1.00 0.00 C ATOM 365 CG HIS A 25 -2.724 3.419 -7.450 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.729 3.822 -8.233 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.365 4.512 -6.697 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.987 5.114 -7.979 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.173 5.590 -7.038 1.00 0.00 N ATOM 0 H HIS A 25 -2.304 1.106 -10.257 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.318 2.339 -8.447 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.023 1.322 -7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.704 1.806 -6.523 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.220 3.242 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.579 4.530 -5.957 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.754 5.692 -8.473 1.00 0.00 H new ATOM 377 N LYS A 26 0.094 -0.122 -9.599 1.00 0.00 N ATOM 378 CA LYS A 26 0.680 -1.449 -9.678 1.00 0.00 C ATOM 379 C LYS A 26 2.184 -1.354 -9.418 1.00 0.00 C ATOM 380 O LYS A 26 2.893 -2.358 -9.474 1.00 0.00 O ATOM 381 CB LYS A 26 0.327 -2.112 -11.011 1.00 0.00 C ATOM 382 CG LYS A 26 -0.766 -3.166 -10.827 1.00 0.00 C ATOM 383 CD LYS A 26 -0.558 -4.345 -11.780 1.00 0.00 C ATOM 384 CE LYS A 26 -1.041 -4.002 -13.190 1.00 0.00 C ATOM 385 NZ LYS A 26 -0.413 -4.900 -14.186 1.00 0.00 N ATOM 0 H LYS A 26 0.276 0.474 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 26 0.263 -2.096 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.008 -1.355 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.216 -2.576 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.763 -3.522 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.743 -2.717 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.498 -4.612 -11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.097 -5.217 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.126 -4.094 -13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.798 -2.965 -13.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.752 -4.654 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.621 -4.792 -14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.666 -5.886 -13.973 1.00 0.00 H new ATOM 399 N SER A 27 2.629 -0.137 -9.139 1.00 0.00 N ATOM 400 CA SER A 27 4.036 0.102 -8.870 1.00 0.00 C ATOM 401 C SER A 27 4.232 0.473 -7.399 1.00 0.00 C ATOM 402 O SER A 27 5.154 1.214 -7.059 1.00 0.00 O ATOM 403 CB SER A 27 4.590 1.206 -9.774 1.00 0.00 C ATOM 404 OG SER A 27 5.546 0.705 -10.704 1.00 0.00 O ATOM 0 H SER A 27 2.039 0.694 -9.094 1.00 0.00 H new ATOM 0 HA SER A 27 4.585 -0.815 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.770 1.677 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.052 1.979 -9.160 1.00 0.00 H new ATOM 0 HG SER A 27 5.874 1.440 -11.263 1.00 0.00 H new ATOM 410 N VAL A 28 3.350 -0.058 -6.565 1.00 0.00 N ATOM 411 CA VAL A 28 3.415 0.208 -5.138 1.00 0.00 C ATOM 412 C VAL A 28 3.222 -1.102 -4.370 1.00 0.00 C ATOM 413 O VAL A 28 2.405 -1.936 -4.755 1.00 0.00 O ATOM 414 CB VAL A 28 2.391 1.279 -4.759 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.172 1.317 -3.245 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.812 2.652 -5.286 1.00 0.00 C ATOM 0 H VAL A 28 2.586 -0.671 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 28 4.394 0.603 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 28 1.443 1.016 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.440 2.087 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.806 0.348 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.115 1.543 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.066 3.395 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.777 2.925 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.893 2.616 -6.372 1.00 0.00 H new ATOM 426 N LYS A 29 3.989 -1.240 -3.299 1.00 0.00 N ATOM 427 CA LYS A 29 3.913 -2.434 -2.474 1.00 0.00 C ATOM 428 C LYS A 29 2.471 -2.630 -2.000 1.00 0.00 C ATOM 429 O LYS A 29 1.866 -1.714 -1.445 1.00 0.00 O ATOM 430 CB LYS A 29 4.931 -2.363 -1.334 1.00 0.00 C ATOM 431 CG LYS A 29 5.608 -3.718 -1.118 1.00 0.00 C ATOM 432 CD LYS A 29 6.231 -3.804 0.276 1.00 0.00 C ATOM 433 CE LYS A 29 7.724 -3.473 0.231 1.00 0.00 C ATOM 434 NZ LYS A 29 8.470 -4.537 -0.477 1.00 0.00 N ATOM 0 H LYS A 29 4.666 -0.545 -2.983 1.00 0.00 H new ATOM 0 HA LYS A 29 4.181 -3.317 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.684 -1.608 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.433 -2.051 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.878 -4.517 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.378 -3.868 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.722 -3.114 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.089 -4.806 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.876 -2.518 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.109 -3.364 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.454 -4.553 -0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.024 -5.458 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.457 -4.349 -1.500 1.00 0.00 H new ATOM 448 N CYS A 30 1.963 -3.831 -2.235 1.00 0.00 N ATOM 449 CA CYS A 30 0.604 -4.159 -1.839 1.00 0.00 C ATOM 450 C CYS A 30 0.455 -3.865 -0.344 1.00 0.00 C ATOM 451 O CYS A 30 -0.650 -3.623 0.138 1.00 0.00 O ATOM 452 CB CYS A 30 0.252 -5.609 -2.173 1.00 0.00 C ATOM 453 SG CYS A 30 0.939 -6.221 -3.755 1.00 0.00 S ATOM 0 H CYS A 30 2.468 -4.589 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.100 -3.545 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.608 -6.250 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.833 -5.707 -2.202 1.00 0.00 H new ATOM 458 N GLY A 31 1.585 -3.897 0.347 1.00 0.00 N ATOM 459 CA GLY A 31 1.594 -3.638 1.777 1.00 0.00 C ATOM 460 C GLY A 31 1.413 -2.146 2.065 1.00 0.00 C ATOM 461 O GLY A 31 1.324 -1.740 3.223 1.00 0.00 O ATOM 0 H GLY A 31 2.500 -4.098 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.796 -4.204 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.534 -3.984 2.207 1.00 0.00 H new ATOM 465 N ASP A 32 1.362 -1.370 0.992 1.00 0.00 N ATOM 466 CA ASP A 32 1.193 0.067 1.115 1.00 0.00 C ATOM 467 C ASP A 32 -0.291 0.387 1.306 1.00 0.00 C ATOM 468 O ASP A 32 -0.641 1.322 2.025 1.00 0.00 O ATOM 469 CB ASP A 32 1.673 0.789 -0.146 1.00 0.00 C ATOM 470 CG ASP A 32 2.082 2.248 0.060 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.598 2.839 1.050 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.869 2.741 -0.776 1.00 0.00 O ATOM 0 H ASP A 32 1.435 -1.710 0.033 1.00 0.00 H new ATOM 0 HA ASP A 32 1.781 0.403 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.523 0.244 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.879 0.752 -0.892 1.00 0.00 H new ATOM 477 N CYS A 33 -1.124 -0.407 0.650 1.00 0.00 N ATOM 478 CA CYS A 33 -2.562 -0.220 0.738 1.00 0.00 C ATOM 479 C CYS A 33 -3.137 -1.328 1.623 1.00 0.00 C ATOM 480 O CYS A 33 -3.976 -1.074 2.485 1.00 0.00 O ATOM 481 CB CYS A 33 -3.216 -0.198 -0.645 1.00 0.00 C ATOM 482 SG CYS A 33 -3.388 1.528 -1.229 1.00 0.00 S ATOM 0 H CYS A 33 -0.830 -1.182 0.055 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.778 0.750 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.614 -0.771 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.195 -0.675 -0.601 1.00 0.00 H new ATOM 487 N HIS A 34 -2.659 -2.549 1.380 1.00 0.00 N ATOM 488 CA HIS A 34 -3.088 -3.729 2.122 1.00 0.00 C ATOM 489 C HIS A 34 -2.111 -4.000 3.280 1.00 0.00 C ATOM 490 O HIS A 34 -1.261 -4.883 3.186 1.00 0.00 O ATOM 491 CB HIS A 34 -3.247 -4.901 1.142 1.00 0.00 C ATOM 492 CG HIS A 34 -4.186 -4.691 -0.023 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.516 -4.699 0.114 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.941 -4.466 -1.356 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.076 -4.487 -1.087 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.149 -4.336 -2.030 1.00 0.00 N ATOM 0 H HIS A 34 -1.962 -2.745 0.661 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.062 -3.576 2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.262 -5.148 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.591 -5.769 1.704 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.022 -4.843 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.963 -4.400 -1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.140 -4.444 -1.265 1.00 0.00 H new ATOM 504 N HIS A 35 -2.265 -3.220 4.351 1.00 0.00 N ATOM 505 CA HIS A 35 -1.430 -3.335 5.541 1.00 0.00 C ATOM 506 C HIS A 35 -1.749 -4.649 6.276 1.00 0.00 C ATOM 507 O HIS A 35 -2.841 -5.202 6.167 1.00 0.00 O ATOM 508 CB HIS A 35 -1.608 -2.072 6.397 1.00 0.00 C ATOM 509 CG HIS A 35 -2.923 -1.927 7.128 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.353 -2.825 8.020 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.891 -0.953 7.069 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.542 -2.427 8.497 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.921 -1.276 7.943 1.00 0.00 N ATOM 0 H HIS A 35 -2.975 -2.490 4.415 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.373 -3.391 5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.805 -2.044 7.133 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.480 -1.203 5.752 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.858 -3.674 8.293 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.856 -0.075 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.117 -2.969 9.234 1.00 0.00 H new ATOM 521 N PRO A 36 -0.762 -5.135 7.033 1.00 0.00 N ATOM 522 CA PRO A 36 -0.853 -6.353 7.809 1.00 0.00 C ATOM 523 C PRO A 36 -1.687 -6.103 9.057 1.00 0.00 C ATOM 524 O PRO A 36 -1.329 -5.229 9.845 1.00 0.00 O ATOM 525 CB PRO A 36 0.591 -6.693 8.174 1.00 0.00 C ATOM 526 CG PRO A 36 1.293 -5.407 8.159 1.00 0.00 C ATOM 527 CD PRO A 36 0.534 -4.510 7.185 1.00 0.00 C ATOM 0 HA PRO A 36 -1.331 -7.168 7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.651 -7.165 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.027 -7.390 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.316 -4.966 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.328 -5.534 7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.440 -3.496 7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.052 -4.438 6.229 1.00 0.00 H new ATOM 535 N VAL A 37 -2.765 -6.857 9.211 1.00 0.00 N ATOM 536 CA VAL A 37 -3.630 -6.698 10.368 1.00 0.00 C ATOM 537 C VAL A 37 -3.586 -7.972 11.212 1.00 0.00 C ATOM 538 O VAL A 37 -3.418 -9.069 10.680 1.00 0.00 O ATOM 539 CB VAL A 37 -5.045 -6.329 9.916 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.736 -5.436 10.948 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.024 -5.661 8.540 1.00 0.00 C ATOM 0 H VAL A 37 -3.059 -7.580 8.554 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.280 -5.880 10.997 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.620 -7.251 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.740 -5.189 10.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.800 -5.963 11.900 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.161 -4.519 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.042 -5.409 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.424 -4.752 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.591 -6.345 7.810 1.00 0.00 H new ATOM 551 N ASN A 38 -3.739 -7.787 12.515 1.00 0.00 N ATOM 552 CA ASN A 38 -3.719 -8.908 13.439 1.00 0.00 C ATOM 553 C ASN A 38 -2.615 -9.883 13.025 1.00 0.00 C ATOM 554 O ASN A 38 -2.722 -11.085 13.264 1.00 0.00 O ATOM 555 CB ASN A 38 -5.049 -9.664 13.418 1.00 0.00 C ATOM 556 CG ASN A 38 -5.681 -9.700 14.811 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.142 -10.726 15.285 1.00 0.00 O ATOM 558 ND2 ASN A 38 -5.676 -8.527 15.438 1.00 0.00 N ATOM 0 H ASN A 38 -3.878 -6.876 12.953 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.543 -8.516 14.441 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.733 -9.185 12.717 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.888 -10.681 13.062 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.074 -8.447 16.374 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.274 -7.707 14.983 1.00 0.00 H new ATOM 565 N GLY A 39 -1.578 -9.329 12.413 1.00 0.00 N ATOM 566 CA GLY A 39 -0.456 -10.135 11.965 1.00 0.00 C ATOM 567 C GLY A 39 -0.881 -11.098 10.855 1.00 0.00 C ATOM 568 O GLY A 39 -0.778 -12.314 11.010 1.00 0.00 O ATOM 0 H GLY A 39 -1.492 -8.332 12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.341 -9.486 11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.050 -10.699 12.805 1.00 0.00 H new ATOM 572 N LYS A 40 -1.350 -10.519 9.759 1.00 0.00 N ATOM 573 CA LYS A 40 -1.791 -11.310 8.624 1.00 0.00 C ATOM 574 C LYS A 40 -2.310 -10.377 7.528 1.00 0.00 C ATOM 575 O LYS A 40 -3.412 -9.841 7.635 1.00 0.00 O ATOM 576 CB LYS A 40 -2.808 -12.363 9.068 1.00 0.00 C ATOM 577 CG LYS A 40 -3.640 -12.857 7.882 1.00 0.00 C ATOM 578 CD LYS A 40 -4.807 -13.726 8.355 1.00 0.00 C ATOM 579 CE LYS A 40 -4.340 -15.149 8.668 1.00 0.00 C ATOM 580 NZ LYS A 40 -3.961 -15.268 10.093 1.00 0.00 N ATOM 0 H LYS A 40 -1.434 -9.510 9.634 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.955 -11.866 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.289 -13.204 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.466 -11.941 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.021 -12.004 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.008 -13.429 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.258 -13.284 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.579 -13.754 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.135 -15.858 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.489 -15.406 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.029 -15.724 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.918 -14.321 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.669 -15.842 10.594 1.00 0.00 H new ATOM 594 N GLU A 41 -1.492 -10.212 6.499 1.00 0.00 N ATOM 595 CA GLU A 41 -1.855 -9.353 5.385 1.00 0.00 C ATOM 596 C GLU A 41 -3.366 -9.398 5.150 1.00 0.00 C ATOM 597 O GLU A 41 -3.935 -10.469 4.949 1.00 0.00 O ATOM 598 CB GLU A 41 -1.092 -9.745 4.119 1.00 0.00 C ATOM 599 CG GLU A 41 0.178 -8.906 3.962 1.00 0.00 C ATOM 600 CD GLU A 41 1.160 -9.573 2.996 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.815 -10.668 2.503 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.234 -8.972 2.774 1.00 0.00 O ATOM 0 H GLU A 41 -0.579 -10.659 6.413 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.576 -8.329 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.831 -10.802 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.732 -9.609 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.081 -7.913 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.653 -8.773 4.934 1.00 0.00 H new ATOM 609 N ASP A 42 -3.973 -8.220 5.184 1.00 0.00 N ATOM 610 CA ASP A 42 -5.407 -8.112 4.977 1.00 0.00 C ATOM 611 C ASP A 42 -5.675 -7.496 3.602 1.00 0.00 C ATOM 612 O ASP A 42 -5.062 -6.511 3.197 1.00 0.00 O ATOM 613 CB ASP A 42 -6.049 -7.209 6.033 1.00 0.00 C ATOM 614 CG ASP A 42 -7.546 -6.955 5.843 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.870 -6.015 5.085 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.332 -7.706 6.459 1.00 0.00 O ATOM 0 H ASP A 42 -3.498 -7.333 5.352 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.834 -9.112 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.893 -7.656 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.530 -6.250 6.033 1.00 0.00 H new ATOM 621 N TYR A 43 -6.619 -8.108 2.884 1.00 0.00 N ATOM 622 CA TYR A 43 -6.989 -7.649 1.561 1.00 0.00 C ATOM 623 C TYR A 43 -8.504 -7.539 1.457 1.00 0.00 C ATOM 624 O TYR A 43 -9.023 -7.519 0.342 1.00 0.00 O ATOM 625 CB TYR A 43 -6.444 -8.619 0.516 1.00 0.00 C ATOM 626 CG TYR A 43 -5.007 -8.351 0.138 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.996 -8.473 1.098 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.686 -7.982 -1.174 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.663 -8.225 0.747 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.354 -7.734 -1.525 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.342 -7.855 -0.565 1.00 0.00 C ATOM 632 OH TYR A 43 -1.044 -7.613 -0.907 1.00 0.00 O ATOM 0 H TYR A 43 -7.138 -8.925 3.206 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.560 -6.663 1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.527 -9.637 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.064 -8.562 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.244 -8.758 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.466 -7.889 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.883 -8.319 1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.107 -7.449 -2.537 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.452 -8.161 -0.351 1.00 0.00 H new ATOM 642 N ARG A 44 -9.173 -7.471 2.598 1.00 0.00 N ATOM 643 CA ARG A 44 -10.622 -7.364 2.610 1.00 0.00 C ATOM 644 C ARG A 44 -11.046 -5.895 2.661 1.00 0.00 C ATOM 645 O ARG A 44 -10.208 -5.009 2.823 1.00 0.00 O ATOM 646 CB ARG A 44 -11.219 -8.101 3.811 1.00 0.00 C ATOM 647 CG ARG A 44 -11.444 -9.580 3.490 1.00 0.00 C ATOM 648 CD ARG A 44 -12.107 -10.302 4.665 1.00 0.00 C ATOM 649 NE ARG A 44 -11.343 -10.052 5.908 1.00 0.00 N ATOM 650 CZ ARG A 44 -11.864 -10.155 7.150 1.00 0.00 C ATOM 651 NH1 ARG A 44 -13.156 -10.503 7.324 1.00 0.00 N ATOM 652 NH2 ARG A 44 -11.090 -9.909 8.190 1.00 0.00 N ATOM 0 H ARG A 44 -8.739 -7.488 3.521 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.995 -7.822 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.551 -8.009 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.165 -7.638 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.070 -9.672 2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.490 -10.055 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.134 -9.955 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.153 -11.373 4.466 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.362 -9.785 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.747 -10.691 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.542 -10.579 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.115 -9.646 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.467 -9.982 9.135 1.00 0.00 H new ATOM 665 N LYS A 45 -12.346 -5.682 2.519 1.00 0.00 N ATOM 666 CA LYS A 45 -12.891 -4.335 2.547 1.00 0.00 C ATOM 667 C LYS A 45 -12.127 -3.502 3.578 1.00 0.00 C ATOM 668 O LYS A 45 -11.845 -3.975 4.678 1.00 0.00 O ATOM 669 CB LYS A 45 -14.402 -4.373 2.784 1.00 0.00 C ATOM 670 CG LYS A 45 -15.074 -5.405 1.876 1.00 0.00 C ATOM 671 CD LYS A 45 -16.301 -4.809 1.184 1.00 0.00 C ATOM 672 CE LYS A 45 -17.458 -5.810 1.160 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.649 -6.349 -0.205 1.00 0.00 N ATOM 0 H LYS A 45 -13.038 -6.419 2.384 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.756 -3.849 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.604 -4.615 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.828 -3.387 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.363 -5.754 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.370 -6.274 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.611 -3.902 1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.044 -4.521 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.256 -6.626 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.374 -5.324 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.438 -7.027 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.863 -5.569 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.780 -6.830 -0.513 1.00 0.00 H new ATOM 687 N CYS A 46 -11.814 -2.276 3.186 1.00 0.00 N ATOM 688 CA CYS A 46 -11.089 -1.372 4.063 1.00 0.00 C ATOM 689 C CYS A 46 -11.933 -1.138 5.317 1.00 0.00 C ATOM 690 O CYS A 46 -11.421 -1.192 6.434 1.00 0.00 O ATOM 691 CB CYS A 46 -10.738 -0.060 3.358 1.00 0.00 C ATOM 692 SG CYS A 46 -9.359 -0.177 2.161 1.00 0.00 S ATOM 0 H CYS A 46 -12.049 -1.887 2.273 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.137 -1.822 4.346 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.623 0.304 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.484 0.685 4.112 1.00 0.00 H new ATOM 697 N GLY A 47 -13.213 -0.883 5.090 1.00 0.00 N ATOM 698 CA GLY A 47 -14.134 -0.640 6.188 1.00 0.00 C ATOM 699 C GLY A 47 -14.472 -1.942 6.918 1.00 0.00 C ATOM 700 O GLY A 47 -13.853 -2.268 7.931 1.00 0.00 O ATOM 0 H GLY A 47 -13.634 -0.839 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.692 0.069 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.048 -0.185 5.807 1.00 0.00 H new ATOM 704 N THR A 48 -15.451 -2.650 6.376 1.00 0.00 N ATOM 705 CA THR A 48 -15.878 -3.909 6.964 1.00 0.00 C ATOM 706 C THR A 48 -16.229 -3.716 8.440 1.00 0.00 C ATOM 707 O THR A 48 -15.930 -2.675 9.023 1.00 0.00 O ATOM 708 CB THR A 48 -14.771 -4.939 6.731 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.858 -4.277 5.860 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.253 -6.144 5.921 1.00 0.00 C ATOM 0 H THR A 48 -15.961 -2.377 5.536 1.00 0.00 H new ATOM 0 HA THR A 48 -16.789 -4.278 6.492 1.00 0.00 H new ATOM 0 HB THR A 48 -14.384 -5.279 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.059 -4.832 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.429 -6.844 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.065 -6.639 6.454 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.609 -5.809 4.947 1.00 0.00 H new ATOM 718 N ALA A 49 -16.858 -4.737 9.004 1.00 0.00 N ATOM 719 CA ALA A 49 -17.252 -4.694 10.402 1.00 0.00 C ATOM 720 C ALA A 49 -16.106 -5.221 11.268 1.00 0.00 C ATOM 721 O ALA A 49 -15.653 -6.350 11.084 1.00 0.00 O ATOM 722 CB ALA A 49 -18.543 -5.492 10.594 1.00 0.00 C ATOM 0 H ALA A 49 -17.105 -5.599 8.518 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.454 -3.669 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.838 -5.460 11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.333 -5.059 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.379 -6.527 10.295 1.00 0.00 H new ATOM 728 N GLY A 50 -15.669 -4.378 12.192 1.00 0.00 N ATOM 729 CA GLY A 50 -14.585 -4.745 13.087 1.00 0.00 C ATOM 730 C GLY A 50 -13.364 -3.850 12.864 1.00 0.00 C ATOM 731 O GLY A 50 -12.527 -3.702 13.754 1.00 0.00 O ATOM 0 H GLY A 50 -16.046 -3.442 12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.918 -4.661 14.121 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.311 -5.787 12.924 1.00 0.00 H new ATOM 735 N CYS A 51 -13.300 -3.277 11.671 1.00 0.00 N ATOM 736 CA CYS A 51 -12.195 -2.401 11.320 1.00 0.00 C ATOM 737 C CYS A 51 -12.731 -0.972 11.213 1.00 0.00 C ATOM 738 O CYS A 51 -13.541 -0.539 12.030 1.00 0.00 O ATOM 739 CB CYS A 51 -11.504 -2.850 10.031 1.00 0.00 C ATOM 740 SG CYS A 51 -11.333 -4.672 10.015 1.00 0.00 S ATOM 0 H CYS A 51 -13.995 -3.402 10.935 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.432 -2.445 12.097 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.081 -2.523 9.166 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.522 -2.384 9.954 1.00 0.00 H new ATOM 745 N HIS A 52 -12.254 -0.267 10.186 1.00 0.00 N ATOM 746 CA HIS A 52 -12.649 1.112 9.921 1.00 0.00 C ATOM 747 C HIS A 52 -14.159 1.174 9.631 1.00 0.00 C ATOM 748 O HIS A 52 -14.565 1.217 8.471 1.00 0.00 O ATOM 749 CB HIS A 52 -11.766 1.675 8.797 1.00 0.00 C ATOM 750 CG HIS A 52 -10.275 1.471 8.938 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.513 2.247 9.715 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.428 0.549 8.371 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.241 1.825 9.635 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.133 0.778 8.818 1.00 0.00 N ATOM 0 H HIS A 52 -11.582 -0.639 9.515 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.489 1.747 10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.084 1.224 7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.957 2.745 8.718 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.844 3.031 10.277 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.723 -0.231 7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.414 2.275 10.164 1.00 0.00 H new ATOM 762 N ASP A 53 -14.942 1.178 10.700 1.00 0.00 N ATOM 763 CA ASP A 53 -16.388 1.235 10.569 1.00 0.00 C ATOM 764 C ASP A 53 -16.890 2.581 11.095 1.00 0.00 C ATOM 765 O ASP A 53 -18.028 2.688 11.550 1.00 0.00 O ATOM 766 CB ASP A 53 -17.059 0.128 11.385 1.00 0.00 C ATOM 767 CG ASP A 53 -18.585 0.086 11.284 1.00 0.00 C ATOM 768 OD1 ASP A 53 -19.088 0.341 10.168 1.00 0.00 O ATOM 769 OD2 ASP A 53 -19.215 -0.200 12.325 1.00 0.00 O ATOM 0 H ASP A 53 -14.602 1.143 11.661 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.637 1.107 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.662 -0.834 11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.782 0.250 12.432 1.00 0.00 H new ATOM 774 N SER A 54 -16.018 3.575 11.015 1.00 0.00 N ATOM 775 CA SER A 54 -16.359 4.910 11.477 1.00 0.00 C ATOM 776 C SER A 54 -16.438 5.871 10.289 1.00 0.00 C ATOM 777 O SER A 54 -15.444 6.093 9.599 1.00 0.00 O ATOM 778 CB SER A 54 -15.341 5.415 12.502 1.00 0.00 C ATOM 779 OG SER A 54 -15.812 6.564 13.200 1.00 0.00 O ATOM 0 H SER A 54 -15.075 3.483 10.637 1.00 0.00 H new ATOM 0 HA SER A 54 -17.333 4.865 11.964 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.122 4.621 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.406 5.656 11.996 1.00 0.00 H new ATOM 0 HG SER A 54 -15.054 7.032 13.609 1.00 0.00 H new ATOM 785 N MET A 55 -17.628 6.415 10.087 1.00 0.00 N ATOM 786 CA MET A 55 -17.850 7.347 8.994 1.00 0.00 C ATOM 787 C MET A 55 -18.433 8.665 9.508 1.00 0.00 C ATOM 788 O MET A 55 -19.493 9.096 9.056 1.00 0.00 O ATOM 789 CB MET A 55 -18.810 6.724 7.979 1.00 0.00 C ATOM 790 CG MET A 55 -18.393 5.292 7.637 1.00 0.00 C ATOM 791 SD MET A 55 -18.342 5.077 5.866 1.00 0.00 S ATOM 792 CE MET A 55 -18.091 3.312 5.775 1.00 0.00 C ATOM 0 H MET A 55 -18.450 6.229 10.662 1.00 0.00 H new ATOM 0 HA MET A 55 -16.892 7.557 8.519 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.823 6.725 8.383 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.828 7.328 7.072 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.414 5.077 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.096 4.585 8.077 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.036 3.006 4.730 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.161 3.050 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.923 2.801 6.259 1.00 0.00 H new ATOM 802 N ASP A 56 -17.716 9.268 10.444 1.00 0.00 N ATOM 803 CA ASP A 56 -18.149 10.528 11.024 1.00 0.00 C ATOM 804 C ASP A 56 -17.199 11.642 10.580 1.00 0.00 C ATOM 805 O ASP A 56 -16.168 11.375 9.965 1.00 0.00 O ATOM 806 CB ASP A 56 -18.127 10.468 12.552 1.00 0.00 C ATOM 807 CG ASP A 56 -18.749 11.675 13.256 1.00 0.00 C ATOM 808 OD1 ASP A 56 -19.551 12.368 12.593 1.00 0.00 O ATOM 809 OD2 ASP A 56 -18.410 11.878 14.442 1.00 0.00 O ATOM 0 H ASP A 56 -16.837 8.907 10.816 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.167 10.722 10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.653 9.569 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.093 10.367 12.882 1.00 0.00 H new ATOM 814 N LYS A 57 -17.580 12.867 10.910 1.00 0.00 N ATOM 815 CA LYS A 57 -16.775 14.023 10.553 1.00 0.00 C ATOM 816 C LYS A 57 -16.159 14.620 11.820 1.00 0.00 C ATOM 817 O LYS A 57 -16.666 15.604 12.356 1.00 0.00 O ATOM 818 CB LYS A 57 -17.602 15.022 9.741 1.00 0.00 C ATOM 819 CG LYS A 57 -16.699 16.039 9.040 1.00 0.00 C ATOM 820 CD LYS A 57 -17.476 17.307 8.682 1.00 0.00 C ATOM 821 CE LYS A 57 -18.497 17.031 7.576 1.00 0.00 C ATOM 822 NZ LYS A 57 -18.904 18.293 6.919 1.00 0.00 N ATOM 0 H LYS A 57 -18.436 13.084 11.421 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.950 13.728 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.199 14.489 9.001 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.299 15.542 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.860 16.293 9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.281 15.597 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.987 17.687 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.783 18.083 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.069 16.352 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.372 16.534 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.597 18.087 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.332 18.928 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.069 18.752 6.501 1.00 0.00 H new ATOM 836 N LYS A 58 -15.074 14.000 12.261 1.00 0.00 N ATOM 837 CA LYS A 58 -14.384 14.458 13.454 1.00 0.00 C ATOM 838 C LYS A 58 -13.310 13.439 13.840 1.00 0.00 C ATOM 839 O LYS A 58 -12.124 13.661 13.602 1.00 0.00 O ATOM 840 CB LYS A 58 -15.385 14.750 14.574 1.00 0.00 C ATOM 841 CG LYS A 58 -15.446 16.248 14.878 1.00 0.00 C ATOM 842 CD LYS A 58 -16.015 16.501 16.275 1.00 0.00 C ATOM 843 CE LYS A 58 -15.220 17.588 17.002 1.00 0.00 C ATOM 844 NZ LYS A 58 -15.775 17.818 18.355 1.00 0.00 N ATOM 0 H LYS A 58 -14.656 13.184 11.813 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.874 15.402 13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.374 14.393 14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.099 14.204 15.473 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.447 16.679 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.064 16.749 14.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.060 16.800 16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.990 15.578 16.854 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.173 17.293 17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.250 18.514 16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.224 18.558 18.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.767 18.120 18.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.724 16.937 18.905 1.00 0.00 H new ATOM 858 N ASP A 59 -13.764 12.342 14.429 1.00 0.00 N ATOM 859 CA ASP A 59 -12.857 11.288 14.849 1.00 0.00 C ATOM 860 C ASP A 59 -11.777 11.095 13.783 1.00 0.00 C ATOM 861 O ASP A 59 -12.083 10.983 12.597 1.00 0.00 O ATOM 862 CB ASP A 59 -13.597 9.959 15.018 1.00 0.00 C ATOM 863 CG ASP A 59 -12.717 8.712 14.922 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.571 8.787 15.414 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.210 7.711 14.358 1.00 0.00 O ATOM 0 H ASP A 59 -14.748 12.161 14.625 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.419 11.581 15.803 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.096 9.959 15.987 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.376 9.895 14.258 1.00 0.00 H new ATOM 870 N LYS A 60 -10.535 11.062 14.244 1.00 0.00 N ATOM 871 CA LYS A 60 -9.408 10.884 13.345 1.00 0.00 C ATOM 872 C LYS A 60 -8.571 9.692 13.812 1.00 0.00 C ATOM 873 O LYS A 60 -7.388 9.595 13.490 1.00 0.00 O ATOM 874 CB LYS A 60 -8.610 12.184 13.222 1.00 0.00 C ATOM 875 CG LYS A 60 -9.496 13.325 12.716 1.00 0.00 C ATOM 876 CD LYS A 60 -8.816 14.080 11.572 1.00 0.00 C ATOM 877 CE LYS A 60 -9.612 13.943 10.273 1.00 0.00 C ATOM 878 NZ LYS A 60 -10.779 14.853 10.282 1.00 0.00 N ATOM 0 H LYS A 60 -10.285 11.156 15.228 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.757 10.654 12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.188 12.449 14.191 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.773 12.038 12.539 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.451 12.925 12.376 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.711 14.013 13.533 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.720 15.134 11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.807 13.694 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.972 14.172 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.947 12.913 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.308 14.747 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.398 14.616 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.452 15.836 10.376 1.00 0.00 H new ATOM 892 N SER A 61 -9.219 8.814 14.564 1.00 0.00 N ATOM 893 CA SER A 61 -8.549 7.631 15.079 1.00 0.00 C ATOM 894 C SER A 61 -8.308 6.631 13.947 1.00 0.00 C ATOM 895 O SER A 61 -8.659 6.893 12.797 1.00 0.00 O ATOM 896 CB SER A 61 -9.364 6.981 16.198 1.00 0.00 C ATOM 897 OG SER A 61 -10.002 7.949 17.026 1.00 0.00 O ATOM 0 H SER A 61 -10.200 8.898 14.829 1.00 0.00 H new ATOM 0 HA SER A 61 -7.589 7.935 15.495 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.117 6.324 15.763 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.710 6.357 16.807 1.00 0.00 H new ATOM 0 HG SER A 61 -10.839 8.237 16.607 1.00 0.00 H new ATOM 903 N ALA A 62 -7.711 5.506 14.311 1.00 0.00 N ATOM 904 CA ALA A 62 -7.420 4.465 13.340 1.00 0.00 C ATOM 905 C ALA A 62 -8.730 3.825 12.876 1.00 0.00 C ATOM 906 O ALA A 62 -8.737 3.026 11.941 1.00 0.00 O ATOM 907 CB ALA A 62 -6.460 3.445 13.957 1.00 0.00 C ATOM 0 H ALA A 62 -7.421 5.292 15.265 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.929 4.886 12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.242 2.664 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.534 3.944 14.243 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.920 3.000 14.839 1.00 0.00 H new ATOM 913 N LYS A 63 -9.806 4.201 13.551 1.00 0.00 N ATOM 914 CA LYS A 63 -11.119 3.673 13.219 1.00 0.00 C ATOM 915 C LYS A 63 -11.778 4.577 12.175 1.00 0.00 C ATOM 916 O LYS A 63 -12.795 4.213 11.586 1.00 0.00 O ATOM 917 CB LYS A 63 -11.957 3.486 14.486 1.00 0.00 C ATOM 918 CG LYS A 63 -11.476 2.273 15.286 1.00 0.00 C ATOM 919 CD LYS A 63 -11.243 2.641 16.752 1.00 0.00 C ATOM 920 CE LYS A 63 -12.341 2.059 17.645 1.00 0.00 C ATOM 921 NZ LYS A 63 -11.999 0.678 18.053 1.00 0.00 N ATOM 0 H LYS A 63 -9.796 4.864 14.326 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.030 2.682 12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.894 4.382 15.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.005 3.357 14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.214 1.474 15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.552 1.890 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.271 2.267 17.074 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.219 3.725 16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.469 2.684 18.528 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.292 2.062 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.754 0.298 18.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.899 0.081 17.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.103 0.684 18.580 1.00 0.00 H new ATOM 935 N GLY A 64 -11.171 5.738 11.976 1.00 0.00 N ATOM 936 CA GLY A 64 -11.686 6.696 11.013 1.00 0.00 C ATOM 937 C GLY A 64 -11.473 6.202 9.580 1.00 0.00 C ATOM 938 O GLY A 64 -10.351 6.048 9.103 1.00 0.00 O ATOM 0 H GLY A 64 -10.327 6.037 12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.749 6.860 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.188 7.656 11.148 1.00 0.00 H new ATOM 942 N TYR A 65 -12.592 5.954 8.897 1.00 0.00 N ATOM 943 CA TYR A 65 -12.561 5.479 7.528 1.00 0.00 C ATOM 944 C TYR A 65 -11.925 6.530 6.631 1.00 0.00 C ATOM 945 O TYR A 65 -10.963 6.245 5.921 1.00 0.00 O ATOM 946 CB TYR A 65 -13.981 5.163 7.068 1.00 0.00 C ATOM 947 CG TYR A 65 -14.037 4.351 5.796 1.00 0.00 C ATOM 948 CD1 TYR A 65 -13.038 3.409 5.523 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.088 4.539 4.891 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.089 2.656 4.344 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.139 3.786 3.712 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.140 2.844 3.439 1.00 0.00 C ATOM 953 OH TYR A 65 -14.190 2.110 2.290 1.00 0.00 O ATOM 0 H TYR A 65 -13.530 6.077 9.278 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.963 4.570 7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.498 4.620 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.522 6.097 6.917 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.228 3.263 6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.859 5.265 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.318 1.930 4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.949 3.932 3.013 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.573 2.654 1.571 1.00 0.00 H new ATOM 963 N TYR A 66 -12.465 7.751 6.664 1.00 0.00 N ATOM 964 CA TYR A 66 -11.948 8.836 5.854 1.00 0.00 C ATOM 965 C TYR A 66 -10.622 9.319 6.423 1.00 0.00 C ATOM 966 O TYR A 66 -10.018 10.219 5.841 1.00 0.00 O ATOM 967 CB TYR A 66 -12.968 9.971 5.819 1.00 0.00 C ATOM 968 CG TYR A 66 -12.365 11.311 5.469 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.653 12.032 6.434 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.520 11.832 4.179 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.095 13.274 6.109 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.962 13.074 3.854 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.250 13.795 4.819 1.00 0.00 C ATOM 974 OH TYR A 66 -10.707 15.006 4.503 1.00 0.00 O ATOM 0 H TYR A 66 -13.262 8.005 7.248 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.776 8.486 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.744 9.730 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.454 10.043 6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.534 11.630 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.070 11.276 3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.545 13.830 6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.081 13.476 2.859 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.906 15.220 3.568 1.00 0.00 H new ATOM 984 N HIS A 67 -10.200 8.725 7.530 1.00 0.00 N ATOM 985 CA HIS A 67 -8.946 9.111 8.154 1.00 0.00 C ATOM 986 C HIS A 67 -7.839 8.146 7.724 1.00 0.00 C ATOM 987 O HIS A 67 -6.659 8.410 7.946 1.00 0.00 O ATOM 988 CB HIS A 67 -9.099 9.197 9.674 1.00 0.00 C ATOM 989 CG HIS A 67 -7.801 9.056 10.432 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.988 10.135 10.733 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.184 7.953 10.946 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.932 9.690 11.398 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.055 8.338 11.528 1.00 0.00 N ATOM 0 H HIS A 67 -10.704 7.980 8.010 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.662 10.108 7.818 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.555 10.154 9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.787 8.418 10.004 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.552 6.939 10.889 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.117 10.292 11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.389 7.724 11.996 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.261 7.047 7.115 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.321 6.041 6.651 1.00 0.00 C ATOM 1003 C VAL A 68 -7.246 6.085 5.123 1.00 0.00 C ATOM 1004 O VAL A 68 -6.798 5.129 4.493 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.718 4.666 7.191 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.544 4.602 8.709 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.150 4.311 6.786 1.00 0.00 C ATOM 0 H VAL A 68 -9.241 6.832 6.932 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.321 6.248 7.031 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.052 3.926 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.833 3.614 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.501 4.789 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.174 5.357 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.407 3.329 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.837 5.056 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.227 4.295 5.699 1.00 0.00 H new ATOM 1017 N MET A 69 -7.690 7.206 4.573 1.00 0.00 N ATOM 1018 CA MET A 69 -7.679 7.387 3.131 1.00 0.00 C ATOM 1019 C MET A 69 -7.611 8.871 2.766 1.00 0.00 C ATOM 1020 O MET A 69 -8.082 9.281 1.707 1.00 0.00 O ATOM 1021 CB MET A 69 -8.944 6.770 2.530 1.00 0.00 C ATOM 1022 CG MET A 69 -9.952 6.410 3.623 1.00 0.00 C ATOM 1023 SD MET A 69 -11.218 5.342 2.958 1.00 0.00 S ATOM 1024 CE MET A 69 -10.596 3.755 3.490 1.00 0.00 C ATOM 0 H MET A 69 -8.059 7.998 5.100 1.00 0.00 H new ATOM 0 HA MET A 69 -6.796 6.892 2.727 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.397 7.471 1.829 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.683 5.877 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.443 5.914 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.404 7.317 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.973 2.976 2.827 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.506 3.762 3.459 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.929 3.557 4.509 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.015 9.647 3.671 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.856 11.087 3.497 1.00 0.00 C ATOM 1036 C HIS A 70 -5.626 11.573 4.286 1.00 0.00 C ATOM 1037 O HIS A 70 -4.557 11.765 3.708 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.170 11.782 3.884 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.361 11.528 2.990 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.217 10.523 3.200 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.812 12.186 1.871 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.164 10.554 2.249 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.961 11.562 1.402 1.00 0.00 N ATOM 0 H HIS A 70 -6.629 9.292 4.546 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.661 11.345 2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.433 11.474 4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.990 12.857 3.914 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.160 9.844 3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.346 13.053 1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.983 9.854 2.180 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.820 11.755 5.584 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.743 12.212 6.445 1.00 0.00 C ATOM 1053 C ASP A 71 -3.450 11.486 6.066 1.00 0.00 C ATOM 1054 O ASP A 71 -3.490 10.379 5.531 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.044 11.905 7.913 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.856 13.082 8.872 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -3.692 13.315 9.264 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.881 13.723 9.191 1.00 0.00 O ATOM 0 H ASP A 71 -6.708 11.594 6.060 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.641 13.289 6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.073 11.553 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.401 11.086 8.236 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.335 12.140 6.357 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.033 11.571 6.053 1.00 0.00 C ATOM 1065 C LYS A 72 -0.254 11.367 7.354 1.00 0.00 C ATOM 1066 O LYS A 72 0.838 10.802 7.345 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.298 12.433 5.025 1.00 0.00 C ATOM 1068 CG LYS A 72 0.070 13.796 5.615 1.00 0.00 C ATOM 1069 CD LYS A 72 1.528 13.818 6.076 1.00 0.00 C ATOM 1070 CE LYS A 72 2.296 14.963 5.412 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.310 15.513 6.339 1.00 0.00 N ATOM 0 H LYS A 72 -2.306 13.058 6.800 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.145 10.590 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.605 11.920 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.926 12.571 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.091 14.575 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.585 14.021 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.569 13.928 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.004 12.868 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.781 14.605 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.602 15.749 5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.822 16.289 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.840 15.873 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.982 14.764 6.603 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.847 11.838 8.441 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.222 11.714 9.747 1.00 0.00 C ATOM 1087 C ASN A 73 -0.665 10.402 10.397 1.00 0.00 C ATOM 1088 O ASN A 73 -0.955 10.364 11.592 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.640 12.862 10.668 1.00 0.00 C ATOM 1090 CG ASN A 73 0.227 14.100 10.429 1.00 0.00 C ATOM 1091 OD1 ASN A 73 0.803 14.292 9.370 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.288 14.927 11.469 1.00 0.00 N ATOM 0 H ASN A 73 -1.753 12.306 8.444 1.00 0.00 H new ATOM 0 HA ASN A 73 0.859 11.738 9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.688 13.108 10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.554 12.548 11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.841 15.782 11.409 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.219 14.706 12.326 1.00 0.00 H new ATOM 1099 N THR A 74 -0.703 9.358 9.582 1.00 0.00 N ATOM 1100 CA THR A 74 -1.105 8.047 10.063 1.00 0.00 C ATOM 1101 C THR A 74 0.065 7.066 9.978 1.00 0.00 C ATOM 1102 O THR A 74 1.067 7.345 9.322 1.00 0.00 O ATOM 1103 CB THR A 74 -2.329 7.604 9.259 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.962 7.848 7.904 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.540 8.511 9.487 1.00 0.00 C ATOM 0 H THR A 74 -0.462 9.393 8.592 1.00 0.00 H new ATOM 0 HA THR A 74 -1.384 8.080 11.116 1.00 0.00 H new ATOM 0 HB THR A 74 -2.588 6.580 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.933 6.999 7.415 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.380 8.152 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.810 8.499 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.293 9.530 9.188 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.101 5.937 10.652 1.00 0.00 N ATOM 1114 CA LYS A 75 0.930 4.912 10.660 1.00 0.00 C ATOM 1115 C LYS A 75 1.169 4.423 9.231 1.00 0.00 C ATOM 1116 O LYS A 75 2.309 4.186 8.834 1.00 0.00 O ATOM 1117 CB LYS A 75 0.566 3.795 11.641 1.00 0.00 C ATOM 1118 CG LYS A 75 1.750 2.850 11.858 1.00 0.00 C ATOM 1119 CD LYS A 75 2.677 3.377 12.956 1.00 0.00 C ATOM 1120 CE LYS A 75 3.764 4.280 12.369 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.976 4.251 13.218 1.00 0.00 N ATOM 0 H LYS A 75 -0.933 5.709 11.196 1.00 0.00 H new ATOM 0 HA LYS A 75 1.874 5.323 11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.262 4.228 12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.287 3.234 11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.385 1.860 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.308 2.740 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.096 3.933 13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.138 2.540 13.480 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.012 3.952 11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.393 5.302 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.704 4.869 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.739 4.586 14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.339 3.278 13.272 1.00 0.00 H new ATOM 1135 N PHE A 76 0.075 4.286 8.496 1.00 0.00 N ATOM 1136 CA PHE A 76 0.151 3.828 7.119 1.00 0.00 C ATOM 1137 C PHE A 76 -0.381 4.893 6.157 1.00 0.00 C ATOM 1138 O PHE A 76 -1.216 5.714 6.535 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.726 2.579 7.013 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.336 1.461 7.981 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.954 1.341 8.397 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.278 0.586 8.426 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.316 0.303 9.296 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.915 -0.452 9.324 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.374 -0.572 9.740 1.00 0.00 C ATOM 0 H PHE A 76 -0.869 4.484 8.828 1.00 0.00 H new ATOM 0 HA PHE A 76 1.188 3.621 6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.763 2.859 7.197 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.675 2.197 5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.702 2.035 8.044 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.302 0.681 8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.340 0.208 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.663 -1.147 9.677 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.650 -1.362 10.423 1.00 0.00 H new ATOM 1155 N LYS A 77 0.125 4.845 4.934 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.289 5.795 3.915 1.00 0.00 C ATOM 1157 C LYS A 77 -1.788 5.636 3.654 1.00 0.00 C ATOM 1158 O LYS A 77 -2.368 4.595 3.959 1.00 0.00 O ATOM 1159 CB LYS A 77 0.574 5.645 2.660 1.00 0.00 C ATOM 1160 CG LYS A 77 2.044 5.433 3.028 1.00 0.00 C ATOM 1161 CD LYS A 77 2.941 6.435 2.298 1.00 0.00 C ATOM 1162 CE LYS A 77 4.198 6.741 3.114 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.754 5.498 3.696 1.00 0.00 N ATOM 0 H LYS A 77 0.818 4.163 4.625 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.132 6.817 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.218 4.802 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.476 6.535 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.172 5.542 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.344 4.417 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.224 6.034 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.389 7.357 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.944 7.217 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.959 7.447 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.768 5.627 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.261 5.280 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.624 4.713 3.027 1.00 0.00 H new ATOM 1177 N SER A 78 -2.373 6.684 3.091 1.00 0.00 N ATOM 1178 CA SER A 78 -3.793 6.673 2.785 1.00 0.00 C ATOM 1179 C SER A 78 -4.002 6.756 1.272 1.00 0.00 C ATOM 1180 O SER A 78 -3.966 5.739 0.580 1.00 0.00 O ATOM 1181 CB SER A 78 -4.516 7.826 3.485 1.00 0.00 C ATOM 1182 OG SER A 78 -5.056 7.431 4.743 1.00 0.00 O ATOM 0 H SER A 78 -1.889 7.546 2.839 1.00 0.00 H new ATOM 0 HA SER A 78 -4.216 5.738 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.822 8.653 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.318 8.193 2.845 1.00 0.00 H new ATOM 0 HG SER A 78 -5.069 8.201 5.349 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.218 7.976 0.802 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.433 8.204 -0.617 1.00 0.00 C ATOM 1190 C CYS A 79 -3.989 9.631 -0.946 1.00 0.00 C ATOM 1191 O CYS A 79 -3.266 9.851 -1.916 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.889 7.953 -1.015 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.494 6.258 -0.684 1.00 0.00 S ATOM 0 H CYS A 79 -4.249 8.817 1.379 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.839 7.497 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.524 8.661 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.001 8.163 -2.079 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.441 10.563 -0.120 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.100 11.962 -0.312 1.00 0.00 C ATOM 1200 C VAL A 80 -2.635 12.182 0.072 1.00 0.00 C ATOM 1201 O VAL A 80 -1.956 13.025 -0.514 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.064 12.849 0.478 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.578 14.300 0.504 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.483 12.756 -0.087 1.00 0.00 C ATOM 0 H VAL A 80 -5.041 10.377 0.684 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.208 12.241 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.088 12.485 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.281 14.909 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.596 14.346 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.510 14.679 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.148 13.396 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.482 13.081 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.831 11.725 -0.029 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.191 11.410 1.053 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.819 11.510 1.520 1.00 0.00 C ATOM 1216 C GLY A 81 0.169 11.323 0.367 1.00 0.00 C ATOM 1217 O GLY A 81 0.831 12.273 -0.047 1.00 0.00 O ATOM 0 H GLY A 81 -2.757 10.713 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.660 12.483 1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.636 10.756 2.286 1.00 0.00 H new ATOM 1221 N CYS A 82 0.236 10.093 -0.119 1.00 0.00 N ATOM 1222 CA CYS A 82 1.132 9.769 -1.217 1.00 0.00 C ATOM 1223 C CYS A 82 1.016 10.871 -2.272 1.00 0.00 C ATOM 1224 O CYS A 82 2.020 11.392 -2.752 1.00 0.00 O ATOM 1225 CB CYS A 82 0.835 8.387 -1.801 1.00 0.00 C ATOM 1226 SG CYS A 82 2.298 7.761 -2.704 1.00 0.00 S ATOM 0 H CYS A 82 -0.316 9.308 0.227 1.00 0.00 H new ATOM 0 HA CYS A 82 2.158 9.723 -0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.567 7.696 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.021 8.444 -2.474 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.232 11.201 -2.608 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.541 12.229 -3.595 1.00 0.00 C ATOM 1233 C HIS A 83 0.088 13.568 -3.167 1.00 0.00 C ATOM 1234 O HIS A 83 0.539 14.337 -4.014 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.062 12.281 -3.799 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.671 11.194 -4.654 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.750 11.398 -5.417 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.313 9.880 -4.840 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.052 10.255 -6.054 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.197 9.286 -5.734 1.00 0.00 N ATOM 0 H HIS A 83 -1.057 10.760 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.104 11.995 -4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.538 12.249 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.313 13.244 -4.244 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.260 12.277 -5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.477 9.387 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.880 10.137 -6.737 1.00 0.00 H new ATOM 1248 N VAL A 84 0.095 13.799 -1.863 1.00 0.00 N ATOM 1249 CA VAL A 84 0.659 15.024 -1.323 1.00 0.00 C ATOM 1250 C VAL A 84 2.183 14.978 -1.450 1.00 0.00 C ATOM 1251 O VAL A 84 2.825 16.009 -1.647 1.00 0.00 O ATOM 1252 CB VAL A 84 0.186 15.228 0.118 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.892 16.421 0.764 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.334 15.393 0.177 1.00 0.00 C ATOM 0 H VAL A 84 -0.281 13.158 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 84 0.311 15.887 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 84 0.449 14.336 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.537 16.543 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.968 16.247 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.675 17.325 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.645 15.536 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.629 16.260 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.813 14.500 -0.225 1.00 0.00 H new ATOM 1264 N GLU A 85 2.719 13.772 -1.332 1.00 0.00 N ATOM 1265 CA GLU A 85 4.156 13.578 -1.431 1.00 0.00 C ATOM 1266 C GLU A 85 4.579 13.490 -2.899 1.00 0.00 C ATOM 1267 O GLU A 85 5.770 13.477 -3.205 1.00 0.00 O ATOM 1268 CB GLU A 85 4.596 12.333 -0.658 1.00 0.00 C ATOM 1269 CG GLU A 85 5.673 11.564 -1.426 1.00 0.00 C ATOM 1270 CD GLU A 85 6.147 10.345 -0.631 1.00 0.00 C ATOM 1271 OE1 GLU A 85 5.313 9.799 0.123 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.333 9.987 -0.796 1.00 0.00 O ATOM 0 H GLU A 85 2.184 12.919 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 85 4.651 14.438 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.979 12.624 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.736 11.686 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.278 11.243 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.518 12.221 -1.630 1.00 0.00 H new ATOM 1279 N VAL A 86 3.580 13.433 -3.767 1.00 0.00 N ATOM 1280 CA VAL A 86 3.834 13.347 -5.196 1.00 0.00 C ATOM 1281 C VAL A 86 3.454 14.673 -5.858 1.00 0.00 C ATOM 1282 O VAL A 86 4.284 15.306 -6.508 1.00 0.00 O ATOM 1283 CB VAL A 86 3.090 12.148 -5.788 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.334 12.042 -7.295 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.483 10.852 -5.076 1.00 0.00 C ATOM 0 H VAL A 86 2.593 13.445 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 86 4.894 13.181 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 86 2.023 12.305 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.794 11.182 -7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.981 12.949 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.401 11.919 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.940 10.016 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.555 10.687 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.235 10.929 -4.017 1.00 0.00 H new ATOM 1295 N ALA A 87 2.200 15.054 -5.669 1.00 0.00 N ATOM 1296 CA ALA A 87 1.700 16.293 -6.239 1.00 0.00 C ATOM 1297 C ALA A 87 2.236 17.475 -5.429 1.00 0.00 C ATOM 1298 O ALA A 87 1.462 18.276 -4.907 1.00 0.00 O ATOM 1299 CB ALA A 87 0.171 16.258 -6.277 1.00 0.00 C ATOM 0 H ALA A 87 1.515 14.526 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 87 2.049 16.411 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.204 17.188 -6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.159 15.418 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.216 16.143 -5.264 1.00 0.00 H new ATOM 1305 N GLY A 88 3.556 17.547 -5.350 1.00 0.00 N ATOM 1306 CA GLY A 88 4.205 18.618 -4.613 1.00 0.00 C ATOM 1307 C GLY A 88 5.296 19.282 -5.456 1.00 0.00 C ATOM 1308 O GLY A 88 6.237 19.861 -4.915 1.00 0.00 O ATOM 0 H GLY A 88 4.195 16.881 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.465 19.362 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.640 18.221 -3.696 1.00 0.00 H new ATOM 1312 N ALA A 89 5.133 19.176 -6.766 1.00 0.00 N ATOM 1313 CA ALA A 89 6.092 19.758 -7.689 1.00 0.00 C ATOM 1314 C ALA A 89 5.419 20.888 -8.471 1.00 0.00 C ATOM 1315 O ALA A 89 6.068 21.867 -8.837 1.00 0.00 O ATOM 1316 CB ALA A 89 6.648 18.667 -8.605 1.00 0.00 C ATOM 0 H ALA A 89 4.351 18.695 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 89 6.934 20.187 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.367 19.105 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.141 17.903 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.832 18.214 -9.168 1.00 0.00 H new ATOM 1322 N ASP A 90 4.126 20.716 -8.703 1.00 0.00 N ATOM 1323 CA ASP A 90 3.358 21.709 -9.434 1.00 0.00 C ATOM 1324 C ASP A 90 2.124 22.096 -8.617 1.00 0.00 C ATOM 1325 O ASP A 90 1.576 21.273 -7.885 1.00 0.00 O ATOM 1326 CB ASP A 90 2.880 21.156 -10.779 1.00 0.00 C ATOM 1327 CG ASP A 90 2.543 22.214 -11.831 1.00 0.00 C ATOM 1328 OD1 ASP A 90 1.761 23.127 -11.487 1.00 0.00 O ATOM 1329 OD2 ASP A 90 3.074 22.086 -12.955 1.00 0.00 O ATOM 0 H ASP A 90 3.591 19.903 -8.397 1.00 0.00 H new ATOM 0 HA ASP A 90 4.001 22.572 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.653 20.500 -11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.996 20.541 -10.608 1.00 0.00 H new ATOM 1334 N ALA A 91 1.722 23.349 -8.769 1.00 0.00 N ATOM 1335 CA ALA A 91 0.562 23.855 -8.055 1.00 0.00 C ATOM 1336 C ALA A 91 -0.681 23.699 -8.933 1.00 0.00 C ATOM 1337 O ALA A 91 -1.649 24.443 -8.782 1.00 0.00 O ATOM 1338 CB ALA A 91 0.809 25.309 -7.646 1.00 0.00 C ATOM 0 H ALA A 91 2.179 24.029 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 91 0.394 23.283 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.061 25.689 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.685 25.361 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.979 25.914 -8.537 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.614 22.728 -9.831 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.722 22.464 -10.733 1.00 0.00 C ATOM 1346 C ALA A 92 -2.389 21.144 -10.343 1.00 0.00 C ATOM 1347 O ALA A 92 -3.559 21.124 -9.962 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.215 22.457 -12.176 1.00 0.00 C ATOM 0 H ALA A 92 0.191 22.114 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.475 23.249 -10.656 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.046 22.259 -12.853 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.778 23.427 -12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.459 21.680 -12.292 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.617 20.073 -10.451 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.118 18.752 -10.113 1.00 0.00 C ATOM 1356 C LYS A 93 -2.575 18.741 -8.653 1.00 0.00 C ATOM 1357 O LYS A 93 -3.434 17.947 -8.273 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.073 17.683 -10.439 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.702 16.515 -11.202 1.00 0.00 C ATOM 1360 CD LYS A 93 -2.161 16.954 -12.594 1.00 0.00 C ATOM 1361 CE LYS A 93 -2.616 15.752 -13.424 1.00 0.00 C ATOM 1362 NZ LYS A 93 -2.399 14.493 -12.677 1.00 0.00 N ATOM 0 H LYS A 93 -0.648 20.093 -10.768 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.989 18.509 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.272 18.122 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.621 17.318 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.980 15.704 -11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.551 16.125 -10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.979 17.668 -12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.346 17.466 -13.105 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.672 15.855 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.066 15.723 -14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.713 13.688 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.388 14.389 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.944 14.517 -11.791 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.979 19.633 -7.874 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.314 19.736 -6.464 1.00 0.00 C ATOM 1378 C LYS A 94 -3.819 19.964 -6.317 1.00 0.00 C ATOM 1379 O LYS A 94 -4.380 19.755 -5.242 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.460 20.811 -5.788 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.190 22.156 -5.766 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.103 22.264 -4.543 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.207 23.713 -4.062 1.00 0.00 C ATOM 1384 NZ LYS A 94 -4.242 24.440 -4.830 1.00 0.00 N ATOM 0 H LYS A 94 -1.267 20.290 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.081 18.805 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.223 20.505 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.513 20.915 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.463 22.968 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.780 22.269 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.095 21.887 -4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.716 21.637 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.452 23.733 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.244 24.211 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.300 25.422 -4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.992 24.436 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.162 23.974 -4.700 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.431 20.389 -7.412 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.861 20.648 -7.419 1.00 0.00 C ATOM 1400 C LYS A 95 -6.575 19.522 -8.170 1.00 0.00 C ATOM 1401 O LYS A 95 -7.716 19.685 -8.600 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.151 22.042 -7.979 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.102 22.814 -7.062 1.00 0.00 C ATOM 1404 CD LYS A 95 -8.013 23.739 -7.872 1.00 0.00 C ATOM 1405 CE LYS A 95 -9.414 23.140 -8.015 1.00 0.00 C ATOM 1406 NZ LYS A 95 -10.362 24.156 -8.524 1.00 0.00 N ATOM 0 H LYS A 95 -3.963 20.561 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.252 20.652 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.218 22.595 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.590 21.955 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.708 22.113 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.526 23.400 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.077 24.711 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.582 23.906 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.384 22.289 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.756 22.766 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.308 23.733 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.403 24.956 -7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -10.043 24.494 -9.454 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.874 18.406 -8.305 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.427 17.254 -8.996 1.00 0.00 C ATOM 1422 C ASP A 96 -6.141 15.991 -8.182 1.00 0.00 C ATOM 1423 O ASP A 96 -7.016 15.140 -8.022 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.789 17.082 -10.376 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.624 18.374 -11.178 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -5.366 19.413 -10.533 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.759 18.294 -12.418 1.00 0.00 O ATOM 0 H ASP A 96 -4.928 18.275 -7.947 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.499 17.412 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.809 16.622 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.396 16.387 -10.956 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.914 15.907 -7.689 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.503 14.762 -6.896 1.00 0.00 C ATOM 1434 C LEU A 97 -5.045 14.911 -5.473 1.00 0.00 C ATOM 1435 O LEU A 97 -5.606 13.969 -4.917 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.984 14.583 -6.960 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.361 14.640 -8.356 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.891 14.218 -8.317 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.170 13.807 -9.352 1.00 0.00 C ATOM 0 H LEU A 97 -4.191 16.614 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.927 13.844 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.521 15.355 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.732 13.623 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.391 15.673 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.472 14.267 -9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.337 14.888 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.815 13.197 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.706 13.865 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.194 12.768 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.188 14.194 -9.408 1.00 0.00 H new ATOM 1451 N THR A 98 -4.857 16.103 -4.924 1.00 0.00 N ATOM 1452 CA THR A 98 -5.320 16.388 -3.577 1.00 0.00 C ATOM 1453 C THR A 98 -6.577 17.259 -3.618 1.00 0.00 C ATOM 1454 O THR A 98 -7.140 17.593 -2.577 1.00 0.00 O ATOM 1455 CB THR A 98 -4.164 17.025 -2.805 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.946 18.268 -3.468 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.847 16.268 -2.991 1.00 0.00 C ATOM 0 H THR A 98 -4.390 16.882 -5.388 1.00 0.00 H new ATOM 0 HA THR A 98 -5.612 15.475 -3.058 1.00 0.00 H new ATOM 0 HB THR A 98 -4.414 17.063 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.434 18.275 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.060 16.762 -2.422 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.963 15.244 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.579 16.258 -4.048 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.981 17.603 -4.833 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.160 18.429 -5.023 1.00 0.00 C ATOM 1467 C GLY A 99 -9.359 17.858 -4.262 1.00 0.00 C ATOM 1468 O GLY A 99 -9.388 16.670 -3.945 1.00 0.00 O ATOM 0 H GLY A 99 -6.512 17.324 -5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.957 19.443 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.396 18.493 -6.085 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.318 18.731 -3.991 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.515 18.329 -3.273 1.00 0.00 C ATOM 1474 C CYS A 100 -12.657 18.192 -4.282 1.00 0.00 C ATOM 1475 O CYS A 100 -13.459 17.264 -4.195 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.859 19.311 -2.152 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.906 19.078 -0.608 1.00 0.00 S ATOM 0 H CYS A 100 -10.290 19.716 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.345 17.369 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.695 20.326 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.921 19.222 -1.924 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.693 19.130 -5.217 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.724 19.125 -6.242 1.00 0.00 C ATOM 1484 C LYS A 101 -13.064 19.096 -7.622 1.00 0.00 C ATOM 1485 O LYS A 101 -12.154 19.876 -7.896 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.682 20.302 -6.043 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.522 21.334 -7.161 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.251 22.634 -6.816 1.00 0.00 C ATOM 1489 CE LYS A 101 -15.463 23.492 -8.064 1.00 0.00 C ATOM 1490 NZ LYS A 101 -15.821 24.877 -7.686 1.00 0.00 N ATOM 0 H LYS A 101 -12.026 19.898 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.337 18.227 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.710 19.940 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.490 20.773 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.464 21.538 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.915 20.929 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.214 22.405 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.675 23.194 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.556 23.497 -8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.253 23.061 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -15.961 25.446 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.699 24.869 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.054 25.291 -7.118 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.549 18.187 -8.455 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.018 18.045 -9.800 1.00 0.00 C ATOM 1506 C LYS A 102 -11.826 17.087 -9.775 1.00 0.00 C ATOM 1507 O LYS A 102 -11.298 16.719 -10.823 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.692 19.417 -10.395 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.874 19.414 -11.914 1.00 0.00 C ATOM 1510 CD LYS A 102 -11.524 19.327 -12.628 1.00 0.00 C ATOM 1511 CE LYS A 102 -11.087 20.700 -13.143 1.00 0.00 C ATOM 1512 NZ LYS A 102 -9.618 20.746 -13.316 1.00 0.00 N ATOM 0 H LYS A 102 -14.304 17.541 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.766 17.606 -10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.338 20.173 -9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.666 19.689 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.499 18.571 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.395 20.320 -12.223 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.771 18.935 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.593 18.627 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.578 20.911 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.401 21.474 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.339 21.685 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.155 20.565 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.326 20.020 -14.001 1.00 0.00 H new ATOM 1526 N SER A 103 -11.436 16.709 -8.566 1.00 0.00 N ATOM 1527 CA SER A 103 -10.316 15.801 -8.390 1.00 0.00 C ATOM 1528 C SER A 103 -10.669 14.421 -8.950 1.00 0.00 C ATOM 1529 O SER A 103 -11.836 14.034 -8.967 1.00 0.00 O ATOM 1530 CB SER A 103 -9.922 15.691 -6.916 1.00 0.00 C ATOM 1531 OG SER A 103 -9.029 14.605 -6.682 1.00 0.00 O ATOM 0 H SER A 103 -11.876 17.016 -7.699 1.00 0.00 H new ATOM 0 HA SER A 103 -9.462 16.201 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.453 16.621 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.818 15.560 -6.310 1.00 0.00 H new ATOM 0 HG SER A 103 -8.104 14.918 -6.768 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.638 13.717 -9.393 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.824 12.388 -9.952 1.00 0.00 C ATOM 1539 C LYS A 104 -10.621 11.532 -8.965 1.00 0.00 C ATOM 1540 O LYS A 104 -11.517 10.791 -9.365 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.477 11.779 -10.347 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.187 12.006 -11.832 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.697 13.434 -12.083 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.321 13.432 -12.751 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.443 13.750 -14.191 1.00 0.00 N ATOM 0 H LYS A 104 -8.671 14.041 -9.376 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.406 12.439 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.683 12.222 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.480 10.710 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.435 11.294 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.089 11.819 -12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.411 13.962 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.646 13.976 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.673 14.162 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.851 12.456 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.500 13.744 -14.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.044 13.039 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.871 14.691 -14.304 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.265 11.663 -7.696 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.936 10.911 -6.649 1.00 0.00 C ATOM 1561 C CYS A 105 -12.380 11.406 -6.552 1.00 0.00 C ATOM 1562 O CYS A 105 -13.323 10.621 -6.640 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.202 11.025 -5.312 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.476 10.444 -5.492 1.00 0.00 S ATOM 0 H CYS A 105 -9.521 12.279 -7.369 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.933 9.850 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.212 12.060 -4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.716 10.434 -4.554 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.515 12.720 -6.370 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.813 13.374 -6.254 1.00 0.00 C ATOM 1571 C HIS A 106 -14.102 14.188 -7.529 1.00 0.00 C ATOM 1572 O HIS A 106 -14.180 15.414 -7.476 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.840 14.199 -4.959 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.714 13.432 -3.663 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.676 12.625 -3.208 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.700 13.379 -2.736 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.278 12.089 -2.043 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.064 12.521 -1.706 1.00 0.00 N ATOM 0 H HIS A 106 -11.724 13.360 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.621 12.646 -6.178 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.031 14.928 -5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.774 14.761 -4.933 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.567 12.445 -3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.767 13.920 -2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.865 11.398 -1.456 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.251 13.474 -8.635 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.528 14.116 -9.909 1.00 0.00 C ATOM 1588 C GLU A 107 -16.005 13.953 -10.276 1.00 0.00 C ATOM 1589 O GLU A 107 -16.868 14.614 -9.700 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.625 13.560 -11.011 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.755 14.664 -11.616 1.00 0.00 C ATOM 1592 CD GLU A 107 -12.703 14.549 -13.141 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.159 13.529 -13.615 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.210 15.484 -13.798 1.00 0.00 O ATOM 0 H GLU A 107 -14.185 12.457 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.313 15.180 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.990 12.774 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.235 13.104 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.152 15.639 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.746 14.601 -11.209 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.379 -4.023 -3.882 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.814 -4.558 -3.574 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.946 -7.360 -4.530 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.057 -3.443 -4.348 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.916 -0.667 -3.154 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.637 -5.610 -4.066 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.998 -5.658 -3.820 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.466 -7.024 -3.853 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.396 -7.803 -4.118 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.256 -6.928 -4.251 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.352 -9.297 -4.256 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.887 -7.451 -3.628 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.096 -8.267 -2.356 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.358 -9.731 -2.681 1.00 0.00 C HETATM 1616 O1A HEC A 108 -11.099 -9.971 -3.659 1.00 0.00 O HETATM 1617 O2A HEC A 108 -9.812 -10.582 -1.946 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.839 -5.164 -4.332 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.835 -6.525 -4.584 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.501 -6.970 -4.914 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.698 -5.886 -4.864 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.526 -4.760 -4.503 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.125 -8.385 -5.245 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.221 -5.818 -5.127 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.222 -6.567 -6.380 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.248 -2.366 -3.839 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.877 -2.319 -4.022 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.379 -0.993 -3.744 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.441 -0.236 -3.394 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.606 -1.087 -3.451 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.940 -0.578 -3.840 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.455 1.215 -3.010 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.286 2.018 -3.575 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.026 -2.847 -3.470 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.031 -1.497 -3.166 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.372 -1.059 -2.856 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.178 -2.135 -2.971 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.345 -3.251 -3.354 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.752 0.344 -2.480 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.662 -2.207 -2.754 1.00 0.00 C HETATM 1641 CBD HEC A 108 -11.093 -1.919 -1.319 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.261 -0.944 -1.283 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.249 -1.215 -1.999 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.144 0.055 -0.540 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.218 0.636 -1.576 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.488 1.022 -3.292 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.826 0.394 -2.300 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.342 -1.178 -3.154 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.585 -0.729 -4.859 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.847 0.475 -3.576 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.363 -9.032 -4.400 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.683 -8.714 -6.122 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.056 -8.438 -5.453 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.686 -9.758 -3.326 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.007 -9.607 -5.070 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.331 -9.613 -4.472 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.377 -2.850 -0.828 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.253 -1.506 -0.760 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.348 1.599 -3.212 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.307 1.974 -4.664 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.368 3.056 -3.253 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.039 -7.621 -6.285 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.279 -6.146 -7.252 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.301 -6.470 -6.500 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.216 -8.185 -1.719 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -10.936 -7.860 -1.793 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.151 -1.496 -3.419 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.012 -3.200 -3.036 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.520 -6.564 -3.587 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.218 -8.040 -4.483 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.067 0.381 -2.897 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.990 -3.267 -4.487 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.791 -8.423 -4.717 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.891 -4.721 -3.550 1.00 0.00 H new HETATM 0 H2D HEC A 108 -12.998 0.233 -0.094 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.231 -11.456 -2.090 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.591 -0.221 8.270 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.743 1.421 10.793 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.694 2.207 6.081 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.108 -2.017 5.848 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.526 -2.576 10.698 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.426 1.443 8.422 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.801 1.994 9.526 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.206 3.264 9.183 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.468 3.486 7.878 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.227 2.354 7.400 1.00 0.00 C HETATM 1687 CMA HEC A 109 -4.067 4.666 7.042 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.446 4.142 10.135 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.272 5.286 10.718 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.546 5.947 11.881 1.00 0.00 C HETATM 1691 O1A HEC A 109 -4.218 6.710 12.608 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.334 5.678 12.021 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.865 0.057 6.386 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.385 1.096 5.608 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.701 0.868 4.218 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.371 -0.302 4.150 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.475 -0.811 5.497 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.334 1.790 3.091 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.919 -0.983 2.930 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.860 -1.355 1.897 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.615 -1.943 8.304 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.306 -2.455 7.220 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.117 -3.579 7.628 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.921 -3.749 8.953 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.987 -2.733 9.378 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.998 -4.379 6.714 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.534 -4.783 9.852 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.287 -6.220 9.405 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.211 -0.521 10.331 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.695 -1.545 11.126 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.215 -1.398 12.480 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.444 -0.291 12.509 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.438 0.259 11.174 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.540 -2.329 13.612 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.712 0.294 13.682 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.306 -0.265 13.878 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.306 0.850 14.148 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.569 1.634 15.085 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.296 0.897 13.413 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.618 -2.348 13.769 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.190 -3.333 13.370 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -6.047 -1.983 14.521 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.748 -3.726 6.268 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.393 -4.828 5.926 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.494 -5.165 7.283 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.790 2.766 3.256 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.250 1.899 3.048 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.694 1.375 2.150 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.491 5.575 7.468 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.980 4.747 7.024 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.438 4.535 6.025 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.304 -0.969 14.710 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -3.005 -0.820 12.990 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.708 -6.369 8.411 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.215 -6.413 9.378 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.762 -6.906 10.107 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.349 -0.454 1.559 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -6.137 -2.035 2.346 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.337 -1.842 1.047 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.473 6.026 9.943 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.237 4.907 11.055 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.648 1.375 13.555 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.293 0.114 14.586 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.064 3.530 10.952 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.581 4.558 9.618 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.842 -3.313 11.437 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.471 -2.660 5.046 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.501 3.020 5.381 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.116 1.906 11.541 1.00 0.00 H new HETATM 0 H2D HEC A 109 -0.859 1.768 13.513 1.00 0.00 H new HETATM 0 H2A HEC A 109 -1.979 6.161 12.796 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.100 7.435 -6.264 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.886 8.637 -9.601 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.602 7.551 -6.645 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.475 6.084 -3.211 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.264 7.381 -6.106 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.465 7.976 -7.825 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.167 8.457 -9.088 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.380 8.749 -9.813 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.412 8.449 -8.996 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.848 7.968 -7.757 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.881 8.575 -9.278 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.436 9.286 -11.213 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.630 8.214 -12.282 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.832 8.540 -13.536 1.00 0.00 C HETATM 1766 O1A HEC A 110 -3.793 7.875 -13.737 1.00 0.00 O HETATM 1767 O2A HEC A 110 -5.276 9.449 -14.271 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.719 6.978 -5.159 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.062 6.998 -5.489 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.842 6.357 -4.455 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.978 5.950 -3.502 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.655 6.333 -3.935 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.334 6.198 -4.480 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.287 5.232 -2.221 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.329 4.126 -2.365 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.872 6.939 -4.931 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.170 6.440 -3.675 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.955 6.135 -2.956 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.076 6.447 -3.769 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.489 6.948 -5.000 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.898 5.577 -1.564 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.545 6.316 -3.490 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.900 5.158 -2.561 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.632 7.900 -7.597 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.281 7.828 -7.305 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.499 8.287 -8.430 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.371 8.636 -9.401 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.699 8.397 -8.887 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.999 8.347 -8.468 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.064 9.174 -10.768 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.234 10.686 -10.893 1.00 0.00 C HETATM 1792 CGD HEC A 110 -1.663 11.104 -10.576 1.00 0.00 C HETATM 1793 O1D HEC A 110 -1.998 11.113 -9.372 1.00 0.00 O HETATM 1794 O2D HEC A 110 -2.394 11.406 -11.544 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.357 9.006 -7.677 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.407 7.347 -8.319 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.323 8.731 -9.435 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.386 6.267 -0.875 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.409 4.615 -1.537 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.142 5.444 -1.268 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.804 7.181 -4.524 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.623 5.618 -5.356 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.660 5.680 -3.578 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.121 9.615 -9.498 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.142 7.953 -10.134 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.448 8.248 -8.406 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.455 11.190 -10.215 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.025 11.002 -11.903 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.402 5.296 -1.601 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.573 4.219 -3.008 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.979 5.131 -2.409 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.264 4.552 -2.728 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.971 3.379 -3.074 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.497 3.656 -1.396 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.319 7.245 -11.891 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.688 8.132 -12.531 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.961 8.911 -11.029 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.713 8.684 -11.494 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.252 10.006 -11.283 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.514 9.828 -11.420 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.350 7.365 -6.017 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.560 5.592 -2.242 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.684 7.670 -6.693 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.797 8.989 -10.629 1.00 0.00 H new HETATM 0 H2D HEC A 110 -3.284 11.654 -11.217 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.680 9.568 -15.040 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.045 12.089 -0.197 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.320 9.766 1.061 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.718 14.579 1.508 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.593 14.311 -1.068 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.528 9.566 -1.988 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.681 12.149 1.027 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.484 11.097 1.432 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.531 11.573 2.305 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.367 12.907 2.431 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.217 13.270 1.637 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.197 13.868 3.231 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.585 10.708 2.933 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.324 10.377 4.399 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.603 9.941 5.099 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.478 9.314 6.173 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.683 10.243 4.547 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.693 14.021 0.214 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.560 14.917 0.814 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.096 16.270 0.621 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.953 16.199 -0.093 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.698 14.801 -0.349 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.789 17.498 1.137 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.080 17.330 -0.555 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.835 17.544 0.302 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.348 11.932 -1.276 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.477 12.953 -1.613 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.504 12.485 -2.572 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.781 11.187 -2.818 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.928 10.838 -2.013 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.405 13.323 -3.159 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.062 10.247 -3.742 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.542 10.378 -3.700 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.395 10.090 -0.464 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.586 9.209 -1.159 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.994 7.847 -0.905 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.046 7.899 -0.060 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.298 9.293 0.217 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.341 6.631 -1.494 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.832 6.754 0.508 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.805 6.118 -0.480 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.793 5.206 0.233 1.00 0.00 C HETATM 1868 O1D HEC A 111 -15.314 4.326 0.982 1.00 0.00 O HETATM 1869 O2D HEC A 111 -17.007 5.405 0.016 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.406 6.674 -2.581 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.294 6.599 -1.194 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.849 5.736 -1.135 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.838 14.170 -3.691 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.759 13.687 -2.360 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.819 12.720 -3.853 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.792 17.554 0.714 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.856 17.449 2.224 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.223 18.384 0.848 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.226 13.845 2.873 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.172 13.582 4.283 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.796 14.875 3.119 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.347 6.898 -1.015 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.250 5.547 -1.225 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.256 11.391 -3.985 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.187 10.171 -2.690 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.096 9.666 -4.395 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.132 17.766 1.327 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.225 16.641 0.289 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.258 18.378 -0.097 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.579 9.584 4.469 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.909 11.250 4.904 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.139 5.991 0.862 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.390 7.105 1.376 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.549 11.210 2.851 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.661 9.778 2.369 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.136 8.807 -2.666 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.758 14.992 -1.233 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.277 15.384 1.985 1.00 0.00 H new HETATM 0 HHA HEC A 111 -15.033 9.039 1.451 1.00 0.00 H new HETATM 0 H2D HEC A 111 -17.180 6.369 -0.017 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.410 9.718 4.942 1.00 0.00 H new