USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=27 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 -160:sc= -1.33 USER MOD Set 1.2: A 111 HEC O2D : rot 30:sc= -1.92! USER MOD Set 2.1: A 104 LYS NZ :NH3+ 138:sc= -0.0114 (180deg=-0.204) USER MOD Set 2.2: A 110 HEC O2A : rot 165:sc=0.000368 USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.104 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -178:sc= -0.684 (180deg=-0.709) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.54! C(o=-7.5!,f=-9.2!) USER MOD Single : A 21 ASN : amide:sc= 0.0235 K(o=0.024,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= -0.488 USER MOD Single : A 24 THR OG1 : rot 1:sc= -0.102 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -101:sc= 0.0659 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 130:sc= -2.44 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 172:sc= -1.69! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= -0.179 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -138:sc= 0.778 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 69 MET CE :methyl -157:sc= -8.19! (180deg=-10.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 160:sc= -3.11! USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= -1.14 (180deg=-1.25!) 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 -15:sc= -0.272 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 81:sc= 1.04 USER MOD Single : A 108 HEC O2A : rot 165:sc= -0.0338 USER MOD Single : A 108 HEC O2D : rot 80:sc= 0.153 USER MOD Single : A 109 HEC O2A : rot 180:sc= 0.78 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2D : rot 165:sc= 0 USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.727 -12.594 -3.180 1.00 0.00 N ATOM 2 CA ALA A 1 0.300 -12.599 -2.904 1.00 0.00 C ATOM 3 C ALA A 1 -0.465 -12.842 -4.206 1.00 0.00 C ATOM 4 O ALA A 1 0.091 -12.836 -5.302 1.00 0.00 O ATOM 5 CB ALA A 1 -0.095 -11.282 -2.233 1.00 0.00 C ATOM 0 H1 ALA A 1 2.184 -13.369 -2.659 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.884 -12.723 -4.200 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.136 -11.686 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 1 0.045 -13.405 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.165 -11.286 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.455 -11.170 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.143 -10.450 -2.896 1.00 0.00 H new ATOM 13 N PRO A 2 -1.774 -13.060 -4.059 1.00 0.00 N ATOM 14 CA PRO A 2 -2.688 -13.309 -5.153 1.00 0.00 C ATOM 15 C PRO A 2 -2.563 -12.199 -6.186 1.00 0.00 C ATOM 16 O PRO A 2 -2.956 -11.070 -5.895 1.00 0.00 O ATOM 17 CB PRO A 2 -4.075 -13.309 -4.513 1.00 0.00 C ATOM 18 CG PRO A 2 -3.847 -13.639 -3.092 1.00 0.00 C ATOM 19 CD PRO A 2 -2.461 -13.075 -2.786 1.00 0.00 C ATOM 0 HA PRO A 2 -2.486 -14.247 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.557 -12.337 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.727 -14.042 -4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.608 -13.190 -2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.884 -14.715 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.527 -12.073 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.934 -13.695 -2.060 1.00 0.00 H new ATOM 27 N LYS A 3 -2.027 -12.529 -7.352 1.00 0.00 N ATOM 28 CA LYS A 3 -1.861 -11.543 -8.406 1.00 0.00 C ATOM 29 C LYS A 3 -3.101 -10.649 -8.461 1.00 0.00 C ATOM 30 O LYS A 3 -4.227 -11.138 -8.390 1.00 0.00 O ATOM 31 CB LYS A 3 -1.538 -12.229 -9.735 1.00 0.00 C ATOM 32 CG LYS A 3 -0.075 -12.676 -9.779 1.00 0.00 C ATOM 33 CD LYS A 3 0.383 -12.910 -11.220 1.00 0.00 C ATOM 34 CE LYS A 3 1.910 -12.960 -11.309 1.00 0.00 C ATOM 35 NZ LYS A 3 2.368 -12.478 -12.631 1.00 0.00 N ATOM 0 H LYS A 3 -1.702 -13.466 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.010 -10.896 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.190 -13.092 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.738 -11.545 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.555 -11.919 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.047 -13.592 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.037 -13.845 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.004 -12.113 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.346 -12.347 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.256 -13.981 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.406 -12.518 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.966 -13.080 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.054 -11.497 -12.771 1.00 0.00 H new ATOM 49 N ALA A 4 -2.852 -9.353 -8.587 1.00 0.00 N ATOM 50 CA ALA A 4 -3.934 -8.386 -8.653 1.00 0.00 C ATOM 51 C ALA A 4 -4.899 -8.782 -9.773 1.00 0.00 C ATOM 52 O ALA A 4 -4.510 -9.306 -10.814 1.00 0.00 O ATOM 53 CB ALA A 4 -3.354 -6.984 -8.852 1.00 0.00 C ATOM 0 H ALA A 4 -1.916 -8.951 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.498 -8.377 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.166 -6.258 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.699 -6.739 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.784 -6.955 -9.780 1.00 0.00 H new ATOM 59 N PRO A 5 -6.184 -8.514 -9.531 1.00 0.00 N ATOM 60 CA PRO A 5 -7.265 -8.802 -10.449 1.00 0.00 C ATOM 61 C PRO A 5 -7.310 -7.736 -11.534 1.00 0.00 C ATOM 62 O PRO A 5 -6.512 -6.801 -11.481 1.00 0.00 O ATOM 63 CB PRO A 5 -8.528 -8.765 -9.592 1.00 0.00 C ATOM 64 CG PRO A 5 -8.184 -7.772 -8.522 1.00 0.00 C ATOM 65 CD PRO A 5 -6.676 -7.898 -8.317 1.00 0.00 C ATOM 0 HA PRO A 5 -7.151 -9.763 -10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.398 -8.451 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.760 -9.744 -9.174 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.456 -6.760 -8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.725 -7.986 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.217 -6.923 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.446 -8.508 -7.443 1.00 0.00 H new ATOM 73 N ALA A 6 -8.222 -7.891 -12.482 1.00 0.00 N ATOM 74 CA ALA A 6 -8.348 -6.931 -13.565 1.00 0.00 C ATOM 75 C ALA A 6 -9.119 -5.706 -13.068 1.00 0.00 C ATOM 76 O ALA A 6 -10.138 -5.842 -12.393 1.00 0.00 O ATOM 77 CB ALA A 6 -9.024 -7.598 -14.764 1.00 0.00 C ATOM 0 H ALA A 6 -8.882 -8.668 -12.523 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.365 -6.592 -13.893 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.118 -6.877 -15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.422 -8.443 -15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.014 -7.950 -14.474 1.00 0.00 H new ATOM 83 N ASP A 7 -8.603 -4.538 -13.421 1.00 0.00 N ATOM 84 CA ASP A 7 -9.231 -3.291 -13.019 1.00 0.00 C ATOM 85 C ASP A 7 -10.751 -3.453 -13.062 1.00 0.00 C ATOM 86 O ASP A 7 -11.277 -4.196 -13.890 1.00 0.00 O ATOM 87 CB ASP A 7 -8.849 -2.152 -13.967 1.00 0.00 C ATOM 88 CG ASP A 7 -7.809 -2.515 -15.029 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.627 -2.645 -14.644 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.220 -2.655 -16.201 1.00 0.00 O ATOM 0 H ASP A 7 -7.757 -4.429 -13.981 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.891 -3.051 -12.012 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.750 -1.799 -14.468 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.467 -1.320 -13.376 1.00 0.00 H new ATOM 95 N GLY A 8 -11.416 -2.746 -12.160 1.00 0.00 N ATOM 96 CA GLY A 8 -12.866 -2.802 -12.085 1.00 0.00 C ATOM 97 C GLY A 8 -13.340 -2.794 -10.630 1.00 0.00 C ATOM 98 O GLY A 8 -14.243 -3.544 -10.264 1.00 0.00 O ATOM 0 H GLY A 8 -10.977 -2.131 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.294 -1.952 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.225 -3.702 -12.583 1.00 0.00 H new ATOM 102 N LEU A 9 -12.709 -1.937 -9.840 1.00 0.00 N ATOM 103 CA LEU A 9 -13.055 -1.821 -8.434 1.00 0.00 C ATOM 104 C LEU A 9 -13.372 -0.360 -8.109 1.00 0.00 C ATOM 105 O LEU A 9 -12.584 0.533 -8.416 1.00 0.00 O ATOM 106 CB LEU A 9 -11.950 -2.419 -7.560 1.00 0.00 C ATOM 107 CG LEU A 9 -11.076 -1.417 -6.804 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.765 -0.943 -5.523 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.688 -1.999 -6.527 1.00 0.00 C ATOM 0 H LEU A 9 -11.960 -1.317 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.953 -2.399 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.411 -3.089 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.305 -3.029 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.937 -0.541 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.121 -0.232 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.710 -0.461 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.956 -1.798 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.087 -1.266 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.786 -2.902 -5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.201 -2.244 -7.471 1.00 0.00 H new ATOM 121 N LYS A 10 -14.528 -0.162 -7.494 1.00 0.00 N ATOM 122 CA LYS A 10 -14.960 1.176 -7.125 1.00 0.00 C ATOM 123 C LYS A 10 -15.441 1.169 -5.672 1.00 0.00 C ATOM 124 O LYS A 10 -16.127 0.241 -5.246 1.00 0.00 O ATOM 125 CB LYS A 10 -16.004 1.694 -8.116 1.00 0.00 C ATOM 126 CG LYS A 10 -17.404 1.204 -7.743 1.00 0.00 C ATOM 127 CD LYS A 10 -17.524 -0.309 -7.932 1.00 0.00 C ATOM 128 CE LYS A 10 -18.928 -0.694 -8.401 1.00 0.00 C ATOM 129 NZ LYS A 10 -19.128 -2.157 -8.294 1.00 0.00 N ATOM 0 H LYS A 10 -15.179 -0.905 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.126 1.875 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.988 2.784 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.753 1.358 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.619 1.463 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.147 1.711 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.788 -0.647 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.299 -0.815 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.674 -0.174 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.073 -0.376 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.086 -2.401 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.428 -2.647 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.010 -2.452 -7.304 1.00 0.00 H new ATOM 143 N MET A 11 -15.062 2.215 -4.952 1.00 0.00 N ATOM 144 CA MET A 11 -15.446 2.341 -3.557 1.00 0.00 C ATOM 145 C MET A 11 -16.456 3.475 -3.366 1.00 0.00 C ATOM 146 O MET A 11 -16.097 4.649 -3.441 1.00 0.00 O ATOM 147 CB MET A 11 -14.203 2.616 -2.708 1.00 0.00 C ATOM 148 CG MET A 11 -13.037 1.723 -3.137 1.00 0.00 C ATOM 149 SD MET A 11 -12.333 0.911 -1.712 1.00 0.00 S ATOM 150 CE MET A 11 -11.306 2.227 -1.081 1.00 0.00 C ATOM 0 H MET A 11 -14.493 2.983 -5.309 1.00 0.00 H new ATOM 0 HA MET A 11 -15.913 1.407 -3.243 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.918 3.664 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.431 2.442 -1.656 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.383 0.980 -3.855 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.276 2.321 -3.638 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.762 1.876 -0.204 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.596 2.535 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.931 3.076 -0.804 1.00 0.00 H new ATOM 160 N GLU A 12 -17.698 3.083 -3.124 1.00 0.00 N ATOM 161 CA GLU A 12 -18.762 4.052 -2.923 1.00 0.00 C ATOM 162 C GLU A 12 -19.653 3.626 -1.754 1.00 0.00 C ATOM 163 O GLU A 12 -20.874 3.568 -1.888 1.00 0.00 O ATOM 164 CB GLU A 12 -19.584 4.237 -4.199 1.00 0.00 C ATOM 165 CG GLU A 12 -20.567 3.080 -4.391 1.00 0.00 C ATOM 166 CD GLU A 12 -20.595 2.619 -5.850 1.00 0.00 C ATOM 167 OE1 GLU A 12 -19.526 2.706 -6.492 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.684 2.191 -6.289 1.00 0.00 O ATOM 0 H GLU A 12 -17.991 2.108 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.310 5.013 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.130 5.179 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.918 4.299 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.283 2.247 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.566 3.392 -4.086 1.00 0.00 H new ATOM 175 N ALA A 13 -19.007 3.340 -0.633 1.00 0.00 N ATOM 176 CA ALA A 13 -19.725 2.922 0.559 1.00 0.00 C ATOM 177 C ALA A 13 -20.306 4.153 1.258 1.00 0.00 C ATOM 178 O ALA A 13 -21.190 4.031 2.104 1.00 0.00 O ATOM 179 CB ALA A 13 -18.787 2.124 1.467 1.00 0.00 C ATOM 0 H ALA A 13 -17.994 3.390 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.557 2.269 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.326 1.811 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.426 1.245 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.940 2.748 1.754 1.00 0.00 H new ATOM 185 N THR A 14 -19.784 5.310 0.878 1.00 0.00 N ATOM 186 CA THR A 14 -20.240 6.562 1.458 1.00 0.00 C ATOM 187 C THR A 14 -20.962 7.406 0.406 1.00 0.00 C ATOM 188 O THR A 14 -21.406 6.884 -0.615 1.00 0.00 O ATOM 189 CB THR A 14 -19.029 7.266 2.075 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.404 7.915 0.970 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.971 6.280 2.574 1.00 0.00 C ATOM 0 H THR A 14 -19.050 5.407 0.176 1.00 0.00 H new ATOM 0 HA THR A 14 -20.971 6.389 2.248 1.00 0.00 H new ATOM 0 HB THR A 14 -19.358 7.896 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.473 8.120 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.134 6.831 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.407 5.633 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.618 5.673 1.741 1.00 0.00 H new ATOM 199 N LYS A 15 -21.056 8.696 0.691 1.00 0.00 N ATOM 200 CA LYS A 15 -21.717 9.618 -0.218 1.00 0.00 C ATOM 201 C LYS A 15 -20.682 10.214 -1.174 1.00 0.00 C ATOM 202 O LYS A 15 -20.885 11.299 -1.716 1.00 0.00 O ATOM 203 CB LYS A 15 -22.508 10.668 0.565 1.00 0.00 C ATOM 204 CG LYS A 15 -23.477 10.005 1.546 1.00 0.00 C ATOM 205 CD LYS A 15 -24.691 10.899 1.805 1.00 0.00 C ATOM 206 CE LYS A 15 -24.275 12.209 2.477 1.00 0.00 C ATOM 207 NZ LYS A 15 -24.920 12.340 3.802 1.00 0.00 N ATOM 0 H LYS A 15 -20.685 9.125 1.539 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.450 9.091 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.820 11.316 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.062 11.302 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.806 9.046 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.965 9.800 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -25.196 11.114 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.406 10.373 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -23.191 12.239 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.553 13.053 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -24.627 13.235 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.954 12.333 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -24.634 11.544 4.408 1.00 0.00 H new ATOM 221 N GLN A 16 -19.594 9.478 -1.352 1.00 0.00 N ATOM 222 CA GLN A 16 -18.527 9.921 -2.233 1.00 0.00 C ATOM 223 C GLN A 16 -17.846 8.717 -2.887 1.00 0.00 C ATOM 224 O GLN A 16 -16.869 8.168 -2.384 1.00 0.00 O ATOM 225 CB GLN A 16 -17.513 10.781 -1.477 1.00 0.00 C ATOM 226 CG GLN A 16 -17.923 10.954 -0.013 1.00 0.00 C ATOM 227 CD GLN A 16 -19.015 12.016 0.129 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.277 12.798 -0.770 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.636 12.000 1.305 1.00 0.00 N ATOM 0 H GLN A 16 -19.429 8.578 -0.901 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.963 10.539 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.527 10.318 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.433 11.758 -1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.281 10.004 0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.054 11.239 0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.367 11.318 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.381 12.670 1.497 1.00 0.00 H new ATOM 238 N PRO A 17 -18.393 8.316 -4.037 1.00 0.00 N ATOM 239 CA PRO A 17 -17.910 7.202 -4.825 1.00 0.00 C ATOM 240 C PRO A 17 -16.537 7.535 -5.392 1.00 0.00 C ATOM 241 O PRO A 17 -16.388 8.592 -6.003 1.00 0.00 O ATOM 242 CB PRO A 17 -18.939 7.037 -5.941 1.00 0.00 C ATOM 243 CG PRO A 17 -20.160 7.848 -5.528 1.00 0.00 C ATOM 244 CD PRO A 17 -19.542 8.939 -4.656 1.00 0.00 C ATOM 0 HA PRO A 17 -17.800 6.287 -4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.541 7.392 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.199 5.987 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.684 8.263 -6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.881 7.245 -4.976 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.249 9.803 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.250 9.294 -3.907 1.00 0.00 H new ATOM 252 N VAL A 18 -15.577 6.646 -5.185 1.00 0.00 N ATOM 253 CA VAL A 18 -14.231 6.869 -5.683 1.00 0.00 C ATOM 254 C VAL A 18 -13.676 5.558 -6.244 1.00 0.00 C ATOM 255 O VAL A 18 -13.485 4.594 -5.504 1.00 0.00 O ATOM 256 CB VAL A 18 -13.356 7.465 -4.579 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.943 7.750 -5.093 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.992 8.729 -3.997 1.00 0.00 C ATOM 0 H VAL A 18 -15.705 5.770 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.240 7.593 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.280 6.729 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.342 8.173 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.487 6.822 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.993 8.458 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.349 9.132 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.113 9.472 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.967 8.485 -3.576 1.00 0.00 H new ATOM 268 N VAL A 19 -13.432 5.564 -7.546 1.00 0.00 N ATOM 269 CA VAL A 19 -12.902 4.387 -8.214 1.00 0.00 C ATOM 270 C VAL A 19 -11.374 4.416 -8.153 1.00 0.00 C ATOM 271 O VAL A 19 -10.768 5.487 -8.168 1.00 0.00 O ATOM 272 CB VAL A 19 -13.443 4.309 -9.643 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.450 4.915 -10.638 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.788 2.868 -10.021 1.00 0.00 C ATOM 0 H VAL A 19 -13.591 6.365 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.230 3.479 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.361 4.895 -9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.858 4.847 -11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.276 5.961 -10.387 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.508 4.369 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.170 2.841 -11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.893 2.250 -9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.547 2.485 -9.339 1.00 0.00 H new ATOM 284 N PHE A 20 -10.793 3.227 -8.087 1.00 0.00 N ATOM 285 CA PHE A 20 -9.347 3.103 -8.023 1.00 0.00 C ATOM 286 C PHE A 20 -8.871 1.856 -8.772 1.00 0.00 C ATOM 287 O PHE A 20 -9.205 0.735 -8.393 1.00 0.00 O ATOM 288 CB PHE A 20 -8.974 2.969 -6.546 1.00 0.00 C ATOM 289 CG PHE A 20 -7.810 2.011 -6.282 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.042 0.676 -6.163 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.544 2.494 -6.166 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.962 -0.213 -5.918 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.465 1.605 -5.921 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.696 0.271 -5.802 1.00 0.00 C ATOM 0 H PHE A 20 -11.298 2.341 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.878 3.973 -8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.716 3.954 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.847 2.625 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.047 0.292 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.360 3.554 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.146 -1.273 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.460 1.989 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.874 -0.405 -5.615 1.00 0.00 H new ATOM 304 N ASN A 21 -8.098 2.095 -9.821 1.00 0.00 N ATOM 305 CA ASN A 21 -7.572 1.005 -10.627 1.00 0.00 C ATOM 306 C ASN A 21 -6.181 0.624 -10.116 1.00 0.00 C ATOM 307 O ASN A 21 -5.352 1.489 -9.839 1.00 0.00 O ATOM 308 CB ASN A 21 -7.440 1.419 -12.094 1.00 0.00 C ATOM 309 CG ASN A 21 -8.565 2.373 -12.498 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.578 3.542 -12.149 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.507 1.812 -13.250 1.00 0.00 N ATOM 0 H ASN A 21 -7.823 3.027 -10.132 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.262 0.165 -10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.475 1.900 -12.254 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.464 0.533 -12.729 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.301 2.366 -13.570 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.436 0.827 -13.507 1.00 0.00 H new ATOM 318 N HIS A 22 -5.961 -0.686 -10.003 1.00 0.00 N ATOM 319 CA HIS A 22 -4.696 -1.239 -9.533 1.00 0.00 C ATOM 320 C HIS A 22 -3.580 -0.916 -10.543 1.00 0.00 C ATOM 321 O HIS A 22 -2.435 -0.696 -10.149 1.00 0.00 O ATOM 322 CB HIS A 22 -4.882 -2.738 -9.255 1.00 0.00 C ATOM 323 CG HIS A 22 -5.432 -3.115 -7.899 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.734 -3.328 -7.685 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.809 -3.311 -6.690 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.915 -3.644 -6.393 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.758 -3.648 -5.733 1.00 0.00 N ATOM 0 H HIS A 22 -6.658 -1.393 -10.236 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.385 -0.783 -8.593 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.547 -3.145 -10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.917 -3.229 -9.379 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.470 -3.261 -8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.748 -3.218 -6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.873 -3.866 -5.947 1.00 0.00 H new ATOM 335 N SER A 23 -3.953 -0.896 -11.814 1.00 0.00 N ATOM 336 CA SER A 23 -2.999 -0.603 -12.870 1.00 0.00 C ATOM 337 C SER A 23 -2.299 0.728 -12.588 1.00 0.00 C ATOM 338 O SER A 23 -1.071 0.796 -12.563 1.00 0.00 O ATOM 339 CB SER A 23 -3.685 -0.564 -14.237 1.00 0.00 C ATOM 340 OG SER A 23 -4.450 0.624 -14.416 1.00 0.00 O ATOM 0 H SER A 23 -4.903 -1.078 -12.137 1.00 0.00 H new ATOM 0 HA SER A 23 -2.255 -1.400 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.932 -0.632 -15.022 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.335 -1.433 -14.342 1.00 0.00 H new ATOM 0 HG SER A 23 -4.871 0.612 -15.301 1.00 0.00 H new ATOM 346 N THR A 24 -3.112 1.755 -12.384 1.00 0.00 N ATOM 347 CA THR A 24 -2.586 3.081 -12.105 1.00 0.00 C ATOM 348 C THR A 24 -1.709 3.055 -10.852 1.00 0.00 C ATOM 349 O THR A 24 -0.917 3.964 -10.618 1.00 0.00 O ATOM 350 CB THR A 24 -3.769 4.045 -11.999 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.649 3.415 -11.073 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.582 4.120 -13.293 1.00 0.00 C ATOM 0 H THR A 24 -4.130 1.696 -12.406 1.00 0.00 H new ATOM 0 HA THR A 24 -1.937 3.426 -12.910 1.00 0.00 H new ATOM 0 HB THR A 24 -3.404 5.039 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.251 2.574 -10.764 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.409 4.818 -13.163 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.942 4.463 -14.106 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.975 3.132 -13.533 1.00 0.00 H new ATOM 360 N HIS A 25 -1.880 1.990 -10.067 1.00 0.00 N ATOM 361 CA HIS A 25 -1.133 1.791 -8.830 1.00 0.00 C ATOM 362 C HIS A 25 -0.508 0.383 -8.821 1.00 0.00 C ATOM 363 O HIS A 25 -0.472 -0.270 -7.779 1.00 0.00 O ATOM 364 CB HIS A 25 -2.058 2.079 -7.639 1.00 0.00 C ATOM 365 CG HIS A 25 -2.654 3.466 -7.561 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.711 3.836 -8.290 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.302 4.564 -6.813 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.007 5.115 -8.007 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.167 5.612 -7.100 1.00 0.00 N ATOM 0 H HIS A 25 -2.542 1.242 -10.274 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.297 2.486 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.875 1.358 -7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.498 1.897 -6.722 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.211 3.244 -8.953 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.481 4.605 -6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.819 5.668 -8.456 1.00 0.00 H new ATOM 377 N LYS A 26 -0.036 -0.035 -9.986 1.00 0.00 N ATOM 378 CA LYS A 26 0.580 -1.344 -10.116 1.00 0.00 C ATOM 379 C LYS A 26 2.095 -1.210 -9.943 1.00 0.00 C ATOM 380 O LYS A 26 2.791 -0.771 -10.856 1.00 0.00 O ATOM 381 CB LYS A 26 0.169 -2.001 -11.436 1.00 0.00 C ATOM 382 CG LYS A 26 1.319 -2.821 -12.023 1.00 0.00 C ATOM 383 CD LYS A 26 0.790 -3.957 -12.901 1.00 0.00 C ATOM 384 CE LYS A 26 1.127 -3.712 -14.374 1.00 0.00 C ATOM 385 NZ LYS A 26 1.035 -4.974 -15.143 1.00 0.00 N ATOM 0 H LYS A 26 -0.068 0.509 -10.848 1.00 0.00 H new ATOM 0 HA LYS A 26 0.226 -2.011 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.695 -2.645 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.136 -1.234 -12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.968 -2.173 -12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.926 -3.232 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.223 -4.904 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.290 -4.042 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.443 -2.974 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.132 -3.299 -14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.267 -4.791 -16.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.705 -5.667 -14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.068 -5.352 -15.076 1.00 0.00 H new ATOM 399 N SER A 27 2.559 -1.597 -8.764 1.00 0.00 N ATOM 400 CA SER A 27 3.978 -1.526 -8.459 1.00 0.00 C ATOM 401 C SER A 27 4.180 -1.286 -6.962 1.00 0.00 C ATOM 402 O SER A 27 5.029 -1.920 -6.337 1.00 0.00 O ATOM 403 CB SER A 27 4.661 -0.422 -9.270 1.00 0.00 C ATOM 404 OG SER A 27 3.853 0.748 -9.365 1.00 0.00 O ATOM 0 H SER A 27 1.978 -1.961 -8.009 1.00 0.00 H new ATOM 0 HA SER A 27 4.435 -2.477 -8.733 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.614 -0.168 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.883 -0.792 -10.271 1.00 0.00 H new ATOM 0 HG SER A 27 3.421 0.777 -10.244 1.00 0.00 H new ATOM 410 N VAL A 28 3.385 -0.369 -6.429 1.00 0.00 N ATOM 411 CA VAL A 28 3.466 -0.038 -5.017 1.00 0.00 C ATOM 412 C VAL A 28 3.211 -1.298 -4.186 1.00 0.00 C ATOM 413 O VAL A 28 2.273 -2.045 -4.458 1.00 0.00 O ATOM 414 CB VAL A 28 2.497 1.100 -4.690 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.283 1.221 -3.180 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.985 2.423 -5.282 1.00 0.00 C ATOM 0 H VAL A 28 2.682 0.155 -6.950 1.00 0.00 H new ATOM 0 HA VAL A 28 4.464 0.320 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 28 1.536 0.863 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.590 2.037 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.869 0.289 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.237 1.423 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.278 3.215 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.963 2.668 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.062 2.330 -6.365 1.00 0.00 H new ATOM 426 N LYS A 29 4.063 -1.494 -3.191 1.00 0.00 N ATOM 427 CA LYS A 29 3.942 -2.650 -2.319 1.00 0.00 C ATOM 428 C LYS A 29 2.495 -2.771 -1.838 1.00 0.00 C ATOM 429 O LYS A 29 1.936 -1.819 -1.294 1.00 0.00 O ATOM 430 CB LYS A 29 4.964 -2.574 -1.183 1.00 0.00 C ATOM 431 CG LYS A 29 5.541 -3.956 -0.871 1.00 0.00 C ATOM 432 CD LYS A 29 5.644 -4.180 0.639 1.00 0.00 C ATOM 433 CE LYS A 29 6.173 -5.581 0.951 1.00 0.00 C ATOM 434 NZ LYS A 29 5.744 -6.008 2.302 1.00 0.00 N ATOM 0 H LYS A 29 4.840 -0.872 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 29 4.174 -3.565 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.770 -1.894 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.491 -2.163 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.909 -4.726 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.527 -4.053 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.305 -3.432 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.664 -4.047 1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.808 -6.288 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.261 -5.587 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.112 -6.961 2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.114 -5.342 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.705 -6.021 2.348 1.00 0.00 H new ATOM 448 N CYS A 30 1.929 -3.949 -2.055 1.00 0.00 N ATOM 449 CA CYS A 30 0.558 -4.207 -1.649 1.00 0.00 C ATOM 450 C CYS A 30 0.418 -3.845 -0.169 1.00 0.00 C ATOM 451 O CYS A 30 -0.679 -3.548 0.301 1.00 0.00 O ATOM 452 CB CYS A 30 0.149 -5.655 -1.924 1.00 0.00 C ATOM 453 SG CYS A 30 0.813 -6.358 -3.478 1.00 0.00 S ATOM 0 H CYS A 30 2.395 -4.736 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.120 -3.590 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.479 -6.275 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.939 -5.711 -1.952 1.00 0.00 H new ATOM 458 N GLY A 31 1.546 -3.883 0.525 1.00 0.00 N ATOM 459 CA GLY A 31 1.564 -3.564 1.943 1.00 0.00 C ATOM 460 C GLY A 31 1.378 -2.062 2.169 1.00 0.00 C ATOM 461 O GLY A 31 1.304 -1.607 3.309 1.00 0.00 O ATOM 0 H GLY A 31 2.454 -4.130 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.772 -4.113 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.509 -3.887 2.380 1.00 0.00 H new ATOM 465 N ASP A 32 1.307 -1.334 1.064 1.00 0.00 N ATOM 466 CA ASP A 32 1.131 0.106 1.128 1.00 0.00 C ATOM 467 C ASP A 32 -0.354 0.427 1.311 1.00 0.00 C ATOM 468 O ASP A 32 -0.705 1.403 1.972 1.00 0.00 O ATOM 469 CB ASP A 32 1.603 0.776 -0.164 1.00 0.00 C ATOM 470 CG ASP A 32 2.015 2.243 -0.019 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.109 3.099 -0.112 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.227 2.474 0.183 1.00 0.00 O ATOM 0 H ASP A 32 1.368 -1.715 0.120 1.00 0.00 H new ATOM 0 HA ASP A 32 1.720 0.481 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.449 0.214 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.804 0.710 -0.903 1.00 0.00 H new ATOM 477 N CYS A 33 -1.186 -0.414 0.714 1.00 0.00 N ATOM 478 CA CYS A 33 -2.625 -0.233 0.802 1.00 0.00 C ATOM 479 C CYS A 33 -3.196 -1.344 1.685 1.00 0.00 C ATOM 480 O CYS A 33 -4.055 -1.100 2.530 1.00 0.00 O ATOM 481 CB CYS A 33 -3.279 -0.209 -0.581 1.00 0.00 C ATOM 482 SG CYS A 33 -3.404 1.514 -1.185 1.00 0.00 S ATOM 0 H CYS A 33 -0.891 -1.223 0.167 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.845 0.736 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.693 -0.806 -1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.271 -0.658 -0.531 1.00 0.00 H new ATOM 487 N HIS A 34 -2.692 -2.558 1.459 1.00 0.00 N ATOM 488 CA HIS A 34 -3.113 -3.741 2.201 1.00 0.00 C ATOM 489 C HIS A 34 -2.125 -4.014 3.350 1.00 0.00 C ATOM 490 O HIS A 34 -1.268 -4.888 3.242 1.00 0.00 O ATOM 491 CB HIS A 34 -3.279 -4.911 1.219 1.00 0.00 C ATOM 492 CG HIS A 34 -4.226 -4.697 0.061 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.555 -4.697 0.209 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.990 -4.476 -1.275 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.124 -4.484 -0.988 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.203 -4.340 -1.939 1.00 0.00 N ATOM 0 H HIS A 34 -1.979 -2.746 0.754 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.083 -3.590 2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.297 -5.157 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.620 -5.781 1.781 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.054 -4.836 1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.015 -4.417 -1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.190 -4.436 -1.158 1.00 0.00 H new ATOM 504 N HIS A 35 -2.279 -3.246 4.429 1.00 0.00 N ATOM 505 CA HIS A 35 -1.435 -3.364 5.612 1.00 0.00 C ATOM 506 C HIS A 35 -1.791 -4.651 6.379 1.00 0.00 C ATOM 507 O HIS A 35 -2.872 -5.216 6.227 1.00 0.00 O ATOM 508 CB HIS A 35 -1.560 -2.078 6.443 1.00 0.00 C ATOM 509 CG HIS A 35 -2.861 -1.870 7.182 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.298 -2.715 8.121 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.809 -0.880 7.087 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.473 -2.269 8.593 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.835 -1.138 7.989 1.00 0.00 N ATOM 0 H HIS A 35 -2.995 -2.524 4.505 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.383 -3.461 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.749 -2.064 7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.407 -1.228 5.779 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.817 -3.560 8.429 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.764 -0.034 6.417 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.049 -2.762 9.362 1.00 0.00 H new ATOM 521 N PRO A 36 -0.849 -5.099 7.212 1.00 0.00 N ATOM 522 CA PRO A 36 -0.980 -6.286 8.029 1.00 0.00 C ATOM 523 C PRO A 36 -2.096 -6.087 9.044 1.00 0.00 C ATOM 524 O PRO A 36 -2.125 -5.045 9.698 1.00 0.00 O ATOM 525 CB PRO A 36 0.372 -6.434 8.724 1.00 0.00 C ATOM 526 CG PRO A 36 1.332 -5.551 7.990 1.00 0.00 C ATOM 527 CD PRO A 36 0.433 -4.459 7.416 1.00 0.00 C ATOM 0 HA PRO A 36 -1.232 -7.174 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.302 -6.143 9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.707 -7.471 8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.090 -5.139 8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.858 -6.094 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.349 -3.616 8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.833 -4.070 6.480 1.00 0.00 H new ATOM 535 N VAL A 37 -2.979 -7.068 9.156 1.00 0.00 N ATOM 536 CA VAL A 37 -4.084 -6.977 10.095 1.00 0.00 C ATOM 537 C VAL A 37 -4.221 -8.303 10.846 1.00 0.00 C ATOM 538 O VAL A 37 -4.611 -9.314 10.264 1.00 0.00 O ATOM 539 CB VAL A 37 -5.364 -6.573 9.359 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.444 -6.124 10.345 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.079 -5.482 8.324 1.00 0.00 C ATOM 0 H VAL A 37 -2.952 -7.930 8.612 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.891 -6.202 10.836 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.737 -7.449 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.343 -5.842 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.676 -6.942 11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.083 -5.268 10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.004 -5.213 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.671 -4.604 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.358 -5.852 7.595 1.00 0.00 H new ATOM 551 N ASN A 38 -3.892 -8.256 12.129 1.00 0.00 N ATOM 552 CA ASN A 38 -3.972 -9.441 12.966 1.00 0.00 C ATOM 553 C ASN A 38 -2.814 -10.381 12.626 1.00 0.00 C ATOM 554 O ASN A 38 -2.987 -11.598 12.590 1.00 0.00 O ATOM 555 CB ASN A 38 -5.280 -10.198 12.725 1.00 0.00 C ATOM 556 CG ASN A 38 -5.966 -10.542 14.049 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.381 -11.664 14.289 1.00 0.00 O ATOM 558 ND2 ASN A 38 -6.062 -9.517 14.891 1.00 0.00 N ATOM 0 H ASN A 38 -3.570 -7.416 12.609 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.926 -9.121 14.007 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.947 -9.592 12.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.078 -11.113 12.168 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.504 -9.644 15.801 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.693 -8.604 14.627 1.00 0.00 H new ATOM 565 N GLY A 39 -1.658 -9.780 12.384 1.00 0.00 N ATOM 566 CA GLY A 39 -0.471 -10.547 12.048 1.00 0.00 C ATOM 567 C GLY A 39 -0.729 -11.459 10.847 1.00 0.00 C ATOM 568 O GLY A 39 -0.418 -12.648 10.887 1.00 0.00 O ATOM 0 H GLY A 39 -1.518 -8.770 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.353 -9.869 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.166 -11.147 12.906 1.00 0.00 H new ATOM 572 N LYS A 40 -1.296 -10.866 9.806 1.00 0.00 N ATOM 573 CA LYS A 40 -1.600 -11.610 8.596 1.00 0.00 C ATOM 574 C LYS A 40 -2.165 -10.654 7.543 1.00 0.00 C ATOM 575 O LYS A 40 -3.325 -10.252 7.623 1.00 0.00 O ATOM 576 CB LYS A 40 -2.520 -12.792 8.909 1.00 0.00 C ATOM 577 CG LYS A 40 -3.256 -13.262 7.653 1.00 0.00 C ATOM 578 CD LYS A 40 -4.348 -14.274 8.005 1.00 0.00 C ATOM 579 CE LYS A 40 -3.928 -15.693 7.615 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.004 -16.595 8.786 1.00 0.00 N ATOM 0 H LYS A 40 -1.553 -9.879 9.776 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.692 -12.045 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.934 -13.614 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.243 -12.503 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.699 -12.406 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.547 -13.713 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.555 -14.233 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.272 -14.010 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.574 -16.064 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.912 -15.683 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.716 -17.554 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.369 -16.248 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.980 -16.618 9.144 1.00 0.00 H new ATOM 594 N GLU A 41 -1.319 -10.317 6.581 1.00 0.00 N ATOM 595 CA GLU A 41 -1.719 -9.416 5.514 1.00 0.00 C ATOM 596 C GLU A 41 -3.207 -9.587 5.204 1.00 0.00 C ATOM 597 O GLU A 41 -3.668 -10.700 4.952 1.00 0.00 O ATOM 598 CB GLU A 41 -0.869 -9.637 4.261 1.00 0.00 C ATOM 599 CG GLU A 41 0.376 -8.748 4.279 1.00 0.00 C ATOM 600 CD GLU A 41 1.414 -9.237 3.267 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.769 -10.432 3.351 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.829 -8.404 2.432 1.00 0.00 O ATOM 0 H GLU A 41 -0.358 -10.652 6.518 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.553 -8.392 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.572 -10.684 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.462 -9.421 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.096 -7.720 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.811 -8.745 5.279 1.00 0.00 H new ATOM 609 N ASP A 42 -3.918 -8.470 5.232 1.00 0.00 N ATOM 610 CA ASP A 42 -5.345 -8.483 4.957 1.00 0.00 C ATOM 611 C ASP A 42 -5.608 -7.793 3.617 1.00 0.00 C ATOM 612 O ASP A 42 -4.917 -6.859 3.216 1.00 0.00 O ATOM 613 CB ASP A 42 -6.121 -7.727 6.038 1.00 0.00 C ATOM 614 CG ASP A 42 -7.631 -7.640 5.808 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.038 -6.729 5.056 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.343 -8.486 6.390 1.00 0.00 O ATOM 0 H ASP A 42 -3.533 -7.549 5.441 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.675 -9.522 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.942 -8.211 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.721 -6.716 6.111 1.00 0.00 H new ATOM 621 N TYR A 43 -6.639 -8.282 2.924 1.00 0.00 N ATOM 622 CA TYR A 43 -7.017 -7.739 1.635 1.00 0.00 C ATOM 623 C TYR A 43 -8.530 -7.590 1.561 1.00 0.00 C ATOM 624 O TYR A 43 -9.072 -7.570 0.458 1.00 0.00 O ATOM 625 CB TYR A 43 -6.510 -8.660 0.529 1.00 0.00 C ATOM 626 CG TYR A 43 -5.060 -8.434 0.173 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.057 -8.722 1.106 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.719 -7.935 -1.090 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.713 -8.511 0.776 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.375 -7.724 -1.419 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.372 -8.012 -0.486 1.00 0.00 C ATOM 632 OH TYR A 43 -1.062 -7.806 -0.808 1.00 0.00 O ATOM 0 H TYR A 43 -7.223 -9.055 3.243 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.569 -6.754 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.642 -9.696 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.121 -8.515 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.320 -9.107 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.493 -7.713 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.939 -8.733 1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.112 -7.339 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.868 -8.225 -1.672 1.00 0.00 H new ATOM 642 N ARG A 44 -9.173 -7.490 2.715 1.00 0.00 N ATOM 643 CA ARG A 44 -10.618 -7.344 2.757 1.00 0.00 C ATOM 644 C ARG A 44 -11.002 -5.863 2.757 1.00 0.00 C ATOM 645 O ARG A 44 -10.144 -4.996 2.914 1.00 0.00 O ATOM 646 CB ARG A 44 -11.204 -8.016 4.000 1.00 0.00 C ATOM 647 CG ARG A 44 -10.544 -9.373 4.252 1.00 0.00 C ATOM 648 CD ARG A 44 -11.191 -10.085 5.442 1.00 0.00 C ATOM 649 NE ARG A 44 -10.176 -10.351 6.485 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.466 -10.563 7.787 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.745 -10.541 8.217 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.479 -10.792 8.633 1.00 0.00 N ATOM 0 H ARG A 44 -8.720 -7.507 3.628 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.026 -7.829 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.062 -7.372 4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.279 -8.148 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.631 -9.995 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.480 -9.234 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.993 -9.471 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.642 -11.022 5.115 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.196 -10.376 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.502 -10.363 7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.955 -10.702 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.515 -10.807 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.680 -10.954 9.620 1.00 0.00 H new ATOM 665 N LYS A 45 -12.292 -5.619 2.579 1.00 0.00 N ATOM 666 CA LYS A 45 -12.800 -4.258 2.558 1.00 0.00 C ATOM 667 C LYS A 45 -12.038 -3.417 3.585 1.00 0.00 C ATOM 668 O LYS A 45 -11.735 -3.892 4.678 1.00 0.00 O ATOM 669 CB LYS A 45 -14.317 -4.248 2.759 1.00 0.00 C ATOM 670 CG LYS A 45 -15.000 -5.244 1.819 1.00 0.00 C ATOM 671 CD LYS A 45 -15.318 -6.553 2.544 1.00 0.00 C ATOM 672 CE LYS A 45 -16.819 -6.850 2.506 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.156 -7.665 1.317 1.00 0.00 N ATOM 0 H LYS A 45 -13.001 -6.341 2.448 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.628 -3.803 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.552 -4.498 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.705 -3.246 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.919 -4.808 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.354 -5.445 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.770 -7.373 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.982 -6.491 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.114 -7.379 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.380 -5.916 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.178 -7.858 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.892 -7.147 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.635 -8.564 1.353 1.00 0.00 H new ATOM 687 N CYS A 46 -11.751 -2.183 3.197 1.00 0.00 N ATOM 688 CA CYS A 46 -11.031 -1.273 4.070 1.00 0.00 C ATOM 689 C CYS A 46 -11.869 -1.053 5.331 1.00 0.00 C ATOM 690 O CYS A 46 -11.355 -1.139 6.445 1.00 0.00 O ATOM 691 CB CYS A 46 -10.703 0.046 3.365 1.00 0.00 C ATOM 692 SG CYS A 46 -9.332 -0.050 2.157 1.00 0.00 S ATOM 0 H CYS A 46 -12.004 -1.793 2.289 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.071 -1.711 4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.597 0.399 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.453 0.792 4.119 1.00 0.00 H new ATOM 697 N GLY A 47 -13.146 -0.773 5.113 1.00 0.00 N ATOM 698 CA GLY A 47 -14.059 -0.540 6.219 1.00 0.00 C ATOM 699 C GLY A 47 -14.381 -1.846 6.948 1.00 0.00 C ATOM 700 O GLY A 47 -13.753 -2.170 7.955 1.00 0.00 O ATOM 0 H GLY A 47 -13.569 -0.702 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.617 0.171 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.980 -0.090 5.847 1.00 0.00 H new ATOM 704 N THR A 48 -15.360 -2.561 6.412 1.00 0.00 N ATOM 705 CA THR A 48 -15.772 -3.824 7.000 1.00 0.00 C ATOM 706 C THR A 48 -16.111 -3.638 8.480 1.00 0.00 C ATOM 707 O THR A 48 -15.807 -2.599 9.064 1.00 0.00 O ATOM 708 CB THR A 48 -14.660 -4.845 6.754 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.762 -4.175 5.874 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.142 -6.052 5.947 1.00 0.00 C ATOM 0 H THR A 48 -15.879 -2.289 5.577 1.00 0.00 H new ATOM 0 HA THR A 48 -16.684 -4.198 6.535 1.00 0.00 H new ATOM 0 HB THR A 48 -14.260 -5.184 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.947 -4.709 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.314 -6.746 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.945 -6.554 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.511 -5.718 4.977 1.00 0.00 H new ATOM 718 N ALA A 49 -16.735 -4.661 9.045 1.00 0.00 N ATOM 719 CA ALA A 49 -17.118 -4.624 10.446 1.00 0.00 C ATOM 720 C ALA A 49 -15.965 -5.155 11.299 1.00 0.00 C ATOM 721 O ALA A 49 -15.540 -6.298 11.133 1.00 0.00 O ATOM 722 CB ALA A 49 -18.407 -5.423 10.645 1.00 0.00 C ATOM 0 H ALA A 49 -16.985 -5.521 8.557 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.318 -3.600 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.694 -5.395 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.202 -4.987 10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.245 -6.457 10.341 1.00 0.00 H new ATOM 728 N GLY A 50 -15.491 -4.301 12.195 1.00 0.00 N ATOM 729 CA GLY A 50 -14.396 -4.671 13.075 1.00 0.00 C ATOM 730 C GLY A 50 -13.171 -3.788 12.826 1.00 0.00 C ATOM 731 O GLY A 50 -12.249 -3.756 13.640 1.00 0.00 O ATOM 0 H GLY A 50 -15.846 -3.354 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.712 -4.577 14.114 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.134 -5.717 12.915 1.00 0.00 H new ATOM 735 N CYS A 51 -13.201 -3.094 11.698 1.00 0.00 N ATOM 736 CA CYS A 51 -12.105 -2.214 11.332 1.00 0.00 C ATOM 737 C CYS A 51 -12.655 -0.792 11.198 1.00 0.00 C ATOM 738 O CYS A 51 -13.484 -0.360 11.995 1.00 0.00 O ATOM 739 CB CYS A 51 -11.409 -2.679 10.051 1.00 0.00 C ATOM 740 SG CYS A 51 -11.256 -4.503 10.049 1.00 0.00 S ATOM 0 H CYS A 51 -13.967 -3.123 11.025 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.342 -2.236 12.110 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.977 -2.352 9.180 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.422 -2.223 9.977 1.00 0.00 H new ATOM 745 N HIS A 52 -12.166 -0.093 10.173 1.00 0.00 N ATOM 746 CA HIS A 52 -12.571 1.278 9.885 1.00 0.00 C ATOM 747 C HIS A 52 -14.077 1.320 9.566 1.00 0.00 C ATOM 748 O HIS A 52 -14.460 1.477 8.408 1.00 0.00 O ATOM 749 CB HIS A 52 -11.674 1.839 8.772 1.00 0.00 C ATOM 750 CG HIS A 52 -10.186 1.629 8.929 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.430 2.397 9.720 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.336 0.707 8.366 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.159 1.971 9.652 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.045 0.929 8.830 1.00 0.00 N ATOM 0 H HIS A 52 -11.477 -0.465 9.520 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.434 1.924 10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.983 1.391 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.860 2.910 8.693 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.764 3.179 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.626 -0.068 7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.336 2.415 10.193 1.00 0.00 H new ATOM 762 N ASP A 53 -14.882 1.178 10.610 1.00 0.00 N ATOM 763 CA ASP A 53 -16.326 1.200 10.450 1.00 0.00 C ATOM 764 C ASP A 53 -16.873 2.529 10.973 1.00 0.00 C ATOM 765 O ASP A 53 -18.038 2.617 11.358 1.00 0.00 O ATOM 766 CB ASP A 53 -16.985 0.071 11.245 1.00 0.00 C ATOM 767 CG ASP A 53 -17.172 0.356 12.737 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.364 1.147 13.270 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.119 -0.224 13.311 1.00 0.00 O ATOM 0 H ASP A 53 -14.561 1.047 11.569 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.550 1.074 9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.960 -0.142 10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.382 -0.831 11.135 1.00 0.00 H new ATOM 774 N SER A 54 -16.006 3.531 10.970 1.00 0.00 N ATOM 775 CA SER A 54 -16.388 4.852 11.440 1.00 0.00 C ATOM 776 C SER A 54 -16.537 5.807 10.253 1.00 0.00 C ATOM 777 O SER A 54 -15.603 5.983 9.472 1.00 0.00 O ATOM 778 CB SER A 54 -15.364 5.400 12.436 1.00 0.00 C ATOM 779 OG SER A 54 -15.800 6.618 13.034 1.00 0.00 O ATOM 0 H SER A 54 -15.041 3.455 10.650 1.00 0.00 H new ATOM 0 HA SER A 54 -17.346 4.768 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.182 4.659 13.214 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.415 5.566 11.926 1.00 0.00 H new ATOM 0 HG SER A 54 -15.120 6.935 13.665 1.00 0.00 H new ATOM 785 N MET A 55 -17.719 6.397 10.155 1.00 0.00 N ATOM 786 CA MET A 55 -18.003 7.329 9.076 1.00 0.00 C ATOM 787 C MET A 55 -18.614 8.623 9.617 1.00 0.00 C ATOM 788 O MET A 55 -19.717 9.003 9.228 1.00 0.00 O ATOM 789 CB MET A 55 -18.971 6.682 8.084 1.00 0.00 C ATOM 790 CG MET A 55 -18.516 5.268 7.717 1.00 0.00 C ATOM 791 SD MET A 55 -18.436 5.094 5.942 1.00 0.00 S ATOM 792 CE MET A 55 -18.268 3.322 5.812 1.00 0.00 C ATOM 0 H MET A 55 -18.491 6.248 10.805 1.00 0.00 H new ATOM 0 HA MET A 55 -17.066 7.573 8.575 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.971 6.645 8.517 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.036 7.292 7.183 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.538 5.067 8.155 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.208 4.535 8.132 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.204 3.039 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.363 3.003 6.330 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.134 2.840 6.266 1.00 0.00 H new ATOM 802 N ASP A 56 -17.870 9.266 10.506 1.00 0.00 N ATOM 803 CA ASP A 56 -18.325 10.509 11.104 1.00 0.00 C ATOM 804 C ASP A 56 -17.416 11.652 10.648 1.00 0.00 C ATOM 805 O ASP A 56 -16.382 11.416 10.024 1.00 0.00 O ATOM 806 CB ASP A 56 -18.268 10.439 12.631 1.00 0.00 C ATOM 807 CG ASP A 56 -18.865 11.647 13.356 1.00 0.00 C ATOM 808 OD1 ASP A 56 -19.775 12.270 12.768 1.00 0.00 O ATOM 809 OD2 ASP A 56 -18.397 11.921 14.483 1.00 0.00 O ATOM 0 H ASP A 56 -16.955 8.949 10.826 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.355 10.677 10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.793 9.542 12.958 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.227 10.329 12.936 1.00 0.00 H new ATOM 814 N LYS A 57 -17.833 12.865 10.978 1.00 0.00 N ATOM 815 CA LYS A 57 -17.068 14.045 10.611 1.00 0.00 C ATOM 816 C LYS A 57 -16.463 14.668 11.870 1.00 0.00 C ATOM 817 O LYS A 57 -16.994 15.643 12.401 1.00 0.00 O ATOM 818 CB LYS A 57 -17.933 15.013 9.800 1.00 0.00 C ATOM 819 CG LYS A 57 -17.068 16.049 9.080 1.00 0.00 C ATOM 820 CD LYS A 57 -17.887 17.289 8.715 1.00 0.00 C ATOM 821 CE LYS A 57 -18.431 17.187 7.289 1.00 0.00 C ATOM 822 NZ LYS A 57 -19.840 16.732 7.304 1.00 0.00 N ATOM 0 H LYS A 57 -18.691 13.057 11.496 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.237 13.773 9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.522 14.457 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.637 15.518 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.232 16.336 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.644 15.610 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.714 17.402 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.266 18.180 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.361 18.157 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.824 16.491 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.195 16.668 6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.898 15.797 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.418 17.411 7.839 1.00 0.00 H new ATOM 836 N LYS A 58 -15.361 14.080 12.312 1.00 0.00 N ATOM 837 CA LYS A 58 -14.679 14.566 13.500 1.00 0.00 C ATOM 838 C LYS A 58 -13.569 13.584 13.881 1.00 0.00 C ATOM 839 O LYS A 58 -12.412 13.774 13.509 1.00 0.00 O ATOM 840 CB LYS A 58 -15.682 14.828 14.625 1.00 0.00 C ATOM 841 CG LYS A 58 -15.776 16.322 14.938 1.00 0.00 C ATOM 842 CD LYS A 58 -16.395 16.555 16.318 1.00 0.00 C ATOM 843 CE LYS A 58 -17.672 17.392 16.212 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.350 18.836 16.254 1.00 0.00 N ATOM 0 H LYS A 58 -14.923 13.272 11.869 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.203 15.526 13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.663 14.451 14.337 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.381 14.283 15.520 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.782 16.768 14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.377 16.820 14.177 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.622 15.597 16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.676 17.062 16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.192 17.156 15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.348 17.140 17.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.227 19.390 16.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.873 19.059 17.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.723 19.075 15.460 1.00 0.00 H new ATOM 858 N ASP A 59 -13.960 12.556 14.620 1.00 0.00 N ATOM 859 CA ASP A 59 -13.012 11.545 15.056 1.00 0.00 C ATOM 860 C ASP A 59 -12.042 11.235 13.914 1.00 0.00 C ATOM 861 O ASP A 59 -12.465 10.969 12.790 1.00 0.00 O ATOM 862 CB ASP A 59 -13.727 10.246 15.434 1.00 0.00 C ATOM 863 CG ASP A 59 -12.855 8.990 15.390 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.798 8.377 14.302 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.263 8.673 16.444 1.00 0.00 O ATOM 0 H ASP A 59 -14.920 12.402 14.928 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.483 11.932 15.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.134 10.352 16.440 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.573 10.106 14.761 1.00 0.00 H new ATOM 870 N LYS A 60 -10.759 11.279 14.242 1.00 0.00 N ATOM 871 CA LYS A 60 -9.725 11.006 13.257 1.00 0.00 C ATOM 872 C LYS A 60 -8.861 9.840 13.742 1.00 0.00 C ATOM 873 O LYS A 60 -7.688 9.743 13.386 1.00 0.00 O ATOM 874 CB LYS A 60 -8.929 12.276 12.951 1.00 0.00 C ATOM 875 CG LYS A 60 -7.798 12.472 13.962 1.00 0.00 C ATOM 876 CD LYS A 60 -7.414 13.948 14.077 1.00 0.00 C ATOM 877 CE LYS A 60 -6.738 14.236 15.419 1.00 0.00 C ATOM 878 NZ LYS A 60 -6.272 15.640 15.474 1.00 0.00 N ATOM 0 H LYS A 60 -10.412 11.499 15.175 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.171 10.701 12.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.515 12.216 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.594 13.140 12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.108 12.096 14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.929 11.889 13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.742 14.217 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.304 14.568 13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.437 14.047 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.894 13.561 15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.816 15.819 16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.589 15.809 14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.084 16.280 15.361 1.00 0.00 H new ATOM 892 N SER A 61 -9.475 8.985 14.546 1.00 0.00 N ATOM 893 CA SER A 61 -8.776 7.830 15.083 1.00 0.00 C ATOM 894 C SER A 61 -8.490 6.824 13.966 1.00 0.00 C ATOM 895 O SER A 61 -8.892 7.032 12.822 1.00 0.00 O ATOM 896 CB SER A 61 -9.585 7.166 16.200 1.00 0.00 C ATOM 897 OG SER A 61 -8.896 6.059 16.773 1.00 0.00 O ATOM 0 H SER A 61 -10.449 9.069 14.839 1.00 0.00 H new ATOM 0 HA SER A 61 -7.831 8.170 15.508 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.801 7.900 16.977 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.543 6.831 15.803 1.00 0.00 H new ATOM 0 HG SER A 61 -9.445 5.664 17.483 1.00 0.00 H new ATOM 903 N ALA A 62 -7.798 5.757 14.336 1.00 0.00 N ATOM 904 CA ALA A 62 -7.454 4.719 13.380 1.00 0.00 C ATOM 905 C ALA A 62 -8.734 4.040 12.888 1.00 0.00 C ATOM 906 O ALA A 62 -8.707 3.285 11.917 1.00 0.00 O ATOM 907 CB ALA A 62 -6.481 3.731 14.026 1.00 0.00 C ATOM 0 H ALA A 62 -7.466 5.589 15.286 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.954 5.148 12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.223 2.952 13.308 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.577 4.258 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.949 3.278 14.900 1.00 0.00 H new ATOM 913 N LYS A 63 -9.825 4.333 13.581 1.00 0.00 N ATOM 914 CA LYS A 63 -11.112 3.759 13.227 1.00 0.00 C ATOM 915 C LYS A 63 -11.776 4.628 12.157 1.00 0.00 C ATOM 916 O LYS A 63 -12.736 4.204 11.515 1.00 0.00 O ATOM 917 CB LYS A 63 -11.971 3.560 14.477 1.00 0.00 C ATOM 918 CG LYS A 63 -11.524 2.323 15.258 1.00 0.00 C ATOM 919 CD LYS A 63 -11.267 2.665 16.727 1.00 0.00 C ATOM 920 CE LYS A 63 -12.387 2.125 17.619 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.701 3.089 18.698 1.00 0.00 N ATOM 0 H LYS A 63 -9.844 4.960 14.385 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.981 2.766 12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.902 4.442 15.114 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.017 3.455 14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.289 1.549 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.617 1.915 14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.312 2.243 17.041 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.192 3.746 16.845 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.278 1.937 17.020 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.087 1.171 18.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.463 2.707 19.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.853 3.248 19.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.008 3.990 18.280 1.00 0.00 H new ATOM 935 N GLY A 64 -11.239 5.829 11.998 1.00 0.00 N ATOM 936 CA GLY A 64 -11.767 6.761 11.016 1.00 0.00 C ATOM 937 C GLY A 64 -11.542 6.245 9.594 1.00 0.00 C ATOM 938 O GLY A 64 -10.417 6.033 9.146 1.00 0.00 O ATOM 0 H GLY A 64 -10.444 6.178 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.833 6.911 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.285 7.732 11.135 1.00 0.00 H new ATOM 942 N TYR A 65 -12.655 6.047 8.883 1.00 0.00 N ATOM 943 CA TYR A 65 -12.612 5.559 7.519 1.00 0.00 C ATOM 944 C TYR A 65 -11.973 6.604 6.617 1.00 0.00 C ATOM 945 O TYR A 65 -11.028 6.307 5.890 1.00 0.00 O ATOM 946 CB TYR A 65 -14.028 5.234 7.053 1.00 0.00 C ATOM 947 CG TYR A 65 -14.072 4.408 5.789 1.00 0.00 C ATOM 948 CD1 TYR A 65 -13.028 3.523 5.495 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.157 4.527 4.912 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.069 2.757 4.325 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.197 3.761 3.741 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.153 2.875 3.447 1.00 0.00 C ATOM 953 OH TYR A 65 -14.193 2.128 2.307 1.00 0.00 O ATOM 0 H TYR A 65 -13.595 6.220 9.238 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.010 4.652 7.471 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.549 4.698 7.846 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.570 6.165 6.888 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.191 3.432 6.171 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.963 5.209 5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.264 2.074 4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.033 3.853 3.064 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.510 2.682 1.564 1.00 0.00 H new ATOM 963 N TYR A 66 -12.492 7.833 6.665 1.00 0.00 N ATOM 964 CA TYR A 66 -11.972 8.914 5.852 1.00 0.00 C ATOM 965 C TYR A 66 -10.657 9.413 6.436 1.00 0.00 C ATOM 966 O TYR A 66 -10.062 10.327 5.867 1.00 0.00 O ATOM 967 CB TYR A 66 -12.998 10.042 5.790 1.00 0.00 C ATOM 968 CG TYR A 66 -12.406 11.375 5.400 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.734 12.148 6.354 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.528 11.838 4.084 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.185 13.385 5.993 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.980 13.074 3.724 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.308 13.848 4.678 1.00 0.00 C ATOM 974 OH TYR A 66 -10.774 15.052 4.326 1.00 0.00 O ATOM 0 H TYR A 66 -13.275 8.096 7.263 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.784 8.555 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.776 9.776 5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.480 10.138 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.639 11.791 7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.045 11.241 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.667 13.981 6.729 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.075 13.431 2.709 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.948 15.222 3.377 1.00 0.00 H new ATOM 984 N HIS A 67 -10.235 8.816 7.541 1.00 0.00 N ATOM 985 CA HIS A 67 -8.992 9.215 8.179 1.00 0.00 C ATOM 986 C HIS A 67 -7.875 8.251 7.776 1.00 0.00 C ATOM 987 O HIS A 67 -6.702 8.506 8.046 1.00 0.00 O ATOM 988 CB HIS A 67 -9.169 9.317 9.696 1.00 0.00 C ATOM 989 CG HIS A 67 -7.886 9.149 10.476 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.050 10.209 10.779 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.308 8.036 11.011 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.017 9.743 11.466 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.179 8.396 11.608 1.00 0.00 N ATOM 0 H HIS A 67 -10.732 8.059 8.011 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.706 10.210 7.837 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.604 10.287 9.936 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.882 8.559 10.020 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.702 7.032 10.958 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.192 10.327 11.847 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.538 7.769 12.093 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.278 7.164 7.135 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.325 6.160 6.692 1.00 0.00 C ATOM 1003 C VAL A 68 -7.233 6.190 5.165 1.00 0.00 C ATOM 1004 O VAL A 68 -6.758 5.238 4.549 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.719 4.787 7.240 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.585 4.746 8.764 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.135 4.407 6.803 1.00 0.00 C ATOM 0 H VAL A 68 -9.251 6.956 6.912 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.331 6.378 7.082 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.032 4.050 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.871 3.759 9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.552 4.951 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.237 5.499 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.390 3.427 7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.842 5.148 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.184 4.375 5.715 1.00 0.00 H new ATOM 1017 N MET A 69 -7.696 7.295 4.597 1.00 0.00 N ATOM 1018 CA MET A 69 -7.672 7.461 3.154 1.00 0.00 C ATOM 1019 C MET A 69 -7.577 8.940 2.774 1.00 0.00 C ATOM 1020 O MET A 69 -8.002 9.342 1.693 1.00 0.00 O ATOM 1021 CB MET A 69 -8.943 6.859 2.550 1.00 0.00 C ATOM 1022 CG MET A 69 -9.946 6.485 3.643 1.00 0.00 C ATOM 1023 SD MET A 69 -11.213 5.423 2.970 1.00 0.00 S ATOM 1024 CE MET A 69 -10.600 3.833 3.504 1.00 0.00 C ATOM 0 H MET A 69 -8.090 8.083 5.111 1.00 0.00 H new ATOM 0 HA MET A 69 -6.794 6.947 2.762 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.397 7.574 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.689 5.974 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.433 5.980 4.461 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.398 7.386 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.004 3.052 2.860 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.512 3.824 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.909 3.651 4.533 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.010 9.723 3.693 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.832 11.158 3.510 1.00 0.00 C ATOM 1036 C HIS A 70 -5.615 11.640 4.321 1.00 0.00 C ATOM 1037 O HIS A 70 -4.578 11.965 3.746 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.147 11.871 3.859 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.330 11.594 2.960 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.146 10.552 3.145 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.807 12.262 1.857 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.095 10.571 2.196 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.932 11.606 1.374 1.00 0.00 N ATOM 0 H HIS A 70 -6.661 9.376 4.586 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.610 11.403 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.422 11.597 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.962 12.945 3.857 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.061 9.856 3.886 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.375 13.156 1.433 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.887 9.842 2.110 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.786 11.670 5.635 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.718 12.103 6.519 1.00 0.00 C ATOM 1053 C ASP A 71 -3.386 11.544 6.015 1.00 0.00 C ATOM 1054 O ASP A 71 -3.357 10.527 5.324 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.938 11.588 7.943 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.398 12.496 9.049 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -4.118 13.673 8.732 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.277 11.993 10.187 1.00 0.00 O ATOM 0 H ASP A 71 -6.649 11.401 6.108 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.709 13.193 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.007 11.445 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.468 10.609 8.036 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.315 12.234 6.379 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.983 11.819 5.972 1.00 0.00 C ATOM 1065 C LYS A 72 -0.092 11.695 7.210 1.00 0.00 C ATOM 1066 O LYS A 72 1.101 11.420 7.095 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.429 12.767 4.907 1.00 0.00 C ATOM 1068 CG LYS A 72 0.099 14.056 5.542 1.00 0.00 C ATOM 1069 CD LYS A 72 -0.290 15.277 4.705 1.00 0.00 C ATOM 1070 CE LYS A 72 -1.592 15.898 5.214 1.00 0.00 C ATOM 1071 NZ LYS A 72 -1.319 16.832 6.329 1.00 0.00 N ATOM 0 H LYS A 72 -2.342 13.078 6.951 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.016 10.835 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.372 12.274 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.210 13.006 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.301 14.159 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.184 14.003 5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.509 16.017 4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.406 14.985 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.091 16.427 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.271 15.113 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.213 17.245 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.863 16.317 7.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.689 17.591 6.000 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.706 11.904 8.365 1.00 0.00 N ATOM 1086 CA ASN A 73 0.017 11.820 9.623 1.00 0.00 C ATOM 1087 C ASN A 73 -0.226 10.448 10.255 1.00 0.00 C ATOM 1088 O ASN A 73 0.258 10.170 11.351 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.465 12.886 10.608 1.00 0.00 C ATOM 1090 CG ASN A 73 0.628 13.924 10.871 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.196 14.006 11.948 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.890 14.709 9.830 1.00 0.00 N ATOM 0 H ASN A 73 -1.696 12.131 8.456 1.00 0.00 H new ATOM 0 HA ASN A 73 1.076 11.975 9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.352 13.379 10.210 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.757 12.414 11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.604 15.434 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.377 14.586 8.957 1.00 0.00 H new ATOM 1099 N THR A 74 -0.976 9.625 9.536 1.00 0.00 N ATOM 1100 CA THR A 74 -1.289 8.289 10.013 1.00 0.00 C ATOM 1101 C THR A 74 -0.049 7.396 9.950 1.00 0.00 C ATOM 1102 O THR A 74 0.936 7.741 9.299 1.00 0.00 O ATOM 1103 CB THR A 74 -2.464 7.756 9.189 1.00 0.00 C ATOM 1104 OG1 THR A 74 -2.076 7.992 7.838 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.731 8.596 9.364 1.00 0.00 C ATOM 0 H THR A 74 -1.376 9.858 8.627 1.00 0.00 H new ATOM 0 HA THR A 74 -1.588 8.303 11.061 1.00 0.00 H new ATOM 0 HB THR A 74 -2.670 6.725 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.507 7.257 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.533 8.175 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.028 8.592 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.535 9.620 9.046 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.137 6.266 10.635 1.00 0.00 N ATOM 1114 CA LYS A 75 0.966 5.321 10.666 1.00 0.00 C ATOM 1115 C LYS A 75 1.232 4.808 9.249 1.00 0.00 C ATOM 1116 O LYS A 75 2.384 4.651 8.848 1.00 0.00 O ATOM 1117 CB LYS A 75 0.692 4.209 11.681 1.00 0.00 C ATOM 1118 CG LYS A 75 1.949 3.375 11.934 1.00 0.00 C ATOM 1119 CD LYS A 75 2.820 4.011 13.019 1.00 0.00 C ATOM 1120 CE LYS A 75 3.824 4.992 12.410 1.00 0.00 C ATOM 1121 NZ LYS A 75 5.032 5.092 13.260 1.00 0.00 N ATOM 0 H LYS A 75 -0.956 5.983 11.173 1.00 0.00 H new ATOM 0 HA LYS A 75 1.878 5.812 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.346 4.645 12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.108 3.566 11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.666 2.366 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.521 3.284 11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.188 4.531 13.739 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.352 3.233 13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.103 4.662 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.364 5.974 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.703 5.762 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.763 5.428 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.479 4.156 13.339 1.00 0.00 H new ATOM 1135 N PHE A 76 0.147 4.561 8.530 1.00 0.00 N ATOM 1136 CA PHE A 76 0.249 4.069 7.166 1.00 0.00 C ATOM 1137 C PHE A 76 -0.280 5.103 6.170 1.00 0.00 C ATOM 1138 O PHE A 76 -1.080 5.966 6.530 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.613 2.809 7.080 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.286 1.757 8.143 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.875 1.054 8.068 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.157 1.526 9.162 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.179 0.078 9.054 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.853 0.551 10.148 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.308 -0.153 10.073 1.00 0.00 C ATOM 0 H PHE A 76 -0.807 4.692 8.866 1.00 0.00 H new ATOM 0 HA PHE A 76 1.291 3.867 6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.662 3.091 7.174 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.490 2.364 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.566 1.238 7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.080 2.084 9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.101 -0.481 8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.544 0.368 10.958 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.539 -0.896 10.823 1.00 0.00 H new ATOM 1155 N LYS A 77 0.189 4.983 4.937 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.227 5.896 3.886 1.00 0.00 C ATOM 1157 C LYS A 77 -1.724 5.720 3.626 1.00 0.00 C ATOM 1158 O LYS A 77 -2.297 4.682 3.952 1.00 0.00 O ATOM 1159 CB LYS A 77 0.639 5.708 2.639 1.00 0.00 C ATOM 1160 CG LYS A 77 2.103 5.471 3.018 1.00 0.00 C ATOM 1161 CD LYS A 77 3.041 6.264 2.107 1.00 0.00 C ATOM 1162 CE LYS A 77 4.312 6.674 2.852 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.191 8.059 3.360 1.00 0.00 N ATOM 0 H LYS A 77 0.853 4.267 4.642 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.076 6.929 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.269 4.863 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.563 6.590 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.265 5.763 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.333 4.408 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.303 5.662 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.529 7.153 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.491 5.990 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.171 6.598 2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.062 8.322 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.042 8.710 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.383 8.120 4.012 1.00 0.00 H new ATOM 1177 N SER A 78 -2.316 6.752 3.041 1.00 0.00 N ATOM 1178 CA SER A 78 -3.736 6.725 2.734 1.00 0.00 C ATOM 1179 C SER A 78 -3.946 6.823 1.222 1.00 0.00 C ATOM 1180 O SER A 78 -3.897 5.816 0.518 1.00 0.00 O ATOM 1181 CB SER A 78 -4.476 7.858 3.447 1.00 0.00 C ATOM 1182 OG SER A 78 -5.012 7.440 4.700 1.00 0.00 O ATOM 0 H SER A 78 -1.838 7.612 2.772 1.00 0.00 H new ATOM 0 HA SER A 78 -4.145 5.780 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.794 8.694 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.283 8.221 2.810 1.00 0.00 H new ATOM 0 HG SER A 78 -5.186 8.225 5.260 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.175 8.046 0.767 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.393 8.290 -0.649 1.00 0.00 C ATOM 1190 C CYS A 79 -3.945 9.718 -0.966 1.00 0.00 C ATOM 1191 O CYS A 79 -3.223 9.945 -1.935 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.850 8.047 -1.047 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.472 6.362 -0.695 1.00 0.00 S ATOM 0 H CYS A 79 -4.214 8.879 1.354 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.803 7.587 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.479 8.768 -0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.958 8.243 -2.114 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.392 10.643 -0.129 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.046 12.043 -0.308 1.00 0.00 C ATOM 1200 C VAL A 80 -2.573 12.250 0.050 1.00 0.00 C ATOM 1201 O VAL A 80 -1.899 13.093 -0.539 1.00 0.00 O ATOM 1202 CB VAL A 80 -4.990 12.924 0.513 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.482 14.366 0.572 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.414 12.867 -0.042 1.00 0.00 C ATOM 0 H VAL A 80 -4.990 10.451 0.674 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.172 12.337 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.011 12.534 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.171 14.971 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.495 14.386 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.417 14.770 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.065 13.502 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.417 13.219 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.777 11.840 -0.008 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.115 11.465 1.015 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.734 11.551 1.459 1.00 0.00 C ATOM 1216 C GLY A 81 0.230 11.356 0.287 1.00 0.00 C ATOM 1217 O GLY A 81 0.879 12.305 -0.152 1.00 0.00 O ATOM 0 H GLY A 81 -2.676 10.766 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.557 12.521 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.545 10.794 2.220 1.00 0.00 H new ATOM 1221 N CYS A 82 0.295 10.120 -0.186 1.00 0.00 N ATOM 1222 CA CYS A 82 1.170 9.789 -1.298 1.00 0.00 C ATOM 1223 C CYS A 82 1.032 10.882 -2.359 1.00 0.00 C ATOM 1224 O CYS A 82 2.026 11.381 -2.883 1.00 0.00 O ATOM 1225 CB CYS A 82 0.863 8.401 -1.865 1.00 0.00 C ATOM 1226 SG CYS A 82 2.325 7.751 -2.753 1.00 0.00 S ATOM 0 H CYS A 82 -0.244 9.336 0.181 1.00 0.00 H new ATOM 0 HA CYS A 82 2.203 9.748 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.586 7.723 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.011 8.456 -2.542 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.222 11.230 -2.651 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.550 12.253 -3.637 1.00 0.00 C ATOM 1233 C HIS A 83 0.071 13.598 -3.218 1.00 0.00 C ATOM 1234 O HIS A 83 0.527 14.360 -4.069 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.074 12.292 -3.824 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.681 11.207 -4.684 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.763 11.411 -5.443 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.319 9.896 -4.879 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.062 10.271 -6.085 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.202 9.303 -5.773 1.00 0.00 N ATOM 0 H HIS A 83 -1.038 10.808 -2.208 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.121 12.020 -4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.539 12.245 -2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.339 13.257 -4.256 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.277 12.289 -5.521 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.480 9.404 -4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.892 10.154 -6.766 1.00 0.00 H new ATOM 1248 N VAL A 84 0.067 13.843 -1.916 1.00 0.00 N ATOM 1249 CA VAL A 84 0.624 15.076 -1.385 1.00 0.00 C ATOM 1250 C VAL A 84 2.139 15.079 -1.598 1.00 0.00 C ATOM 1251 O VAL A 84 2.737 16.133 -1.809 1.00 0.00 O ATOM 1252 CB VAL A 84 0.226 15.239 0.083 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.983 16.401 0.730 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.286 15.424 0.224 1.00 0.00 C ATOM 0 H VAL A 84 -0.313 13.209 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 84 0.220 15.938 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 84 0.502 14.325 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.682 16.495 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.055 16.211 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.752 17.325 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.542 15.538 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.596 16.314 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.799 14.552 -0.182 1.00 0.00 H new ATOM 1264 N GLU A 85 2.716 13.889 -1.534 1.00 0.00 N ATOM 1265 CA GLU A 85 4.150 13.741 -1.717 1.00 0.00 C ATOM 1266 C GLU A 85 4.493 13.694 -3.208 1.00 0.00 C ATOM 1267 O GLU A 85 5.627 13.972 -3.597 1.00 0.00 O ATOM 1268 CB GLU A 85 4.670 12.497 -0.996 1.00 0.00 C ATOM 1269 CG GLU A 85 5.487 12.880 0.240 1.00 0.00 C ATOM 1270 CD GLU A 85 6.625 13.833 -0.129 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.953 13.886 -1.334 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.141 14.488 0.802 1.00 0.00 O ATOM 0 H GLU A 85 2.217 13.017 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 85 4.643 14.608 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.831 11.866 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.287 11.909 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.838 13.352 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.896 11.982 0.703 1.00 0.00 H new ATOM 1279 N VAL A 86 3.493 13.341 -4.002 1.00 0.00 N ATOM 1280 CA VAL A 86 3.674 13.254 -5.440 1.00 0.00 C ATOM 1281 C VAL A 86 3.351 14.609 -6.074 1.00 0.00 C ATOM 1282 O VAL A 86 4.023 15.036 -7.011 1.00 0.00 O ATOM 1283 CB VAL A 86 2.828 12.112 -6.007 1.00 0.00 C ATOM 1284 CG1 VAL A 86 2.833 12.132 -7.536 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.305 10.760 -5.474 1.00 0.00 C ATOM 0 H VAL A 86 2.554 13.112 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 86 4.712 13.022 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 86 1.800 12.259 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.224 11.310 -7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.423 13.078 -7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.855 12.022 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.687 9.965 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.344 10.601 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.224 10.748 -4.387 1.00 0.00 H new ATOM 1295 N ALA A 87 2.321 15.246 -5.537 1.00 0.00 N ATOM 1296 CA ALA A 87 1.900 16.544 -6.038 1.00 0.00 C ATOM 1297 C ALA A 87 3.135 17.368 -6.406 1.00 0.00 C ATOM 1298 O ALA A 87 3.091 18.178 -7.331 1.00 0.00 O ATOM 1299 CB ALA A 87 1.027 17.237 -4.990 1.00 0.00 C ATOM 0 H ALA A 87 1.765 14.888 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 87 1.298 16.431 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.711 18.210 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.149 16.625 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.598 17.370 -4.071 1.00 0.00 H new ATOM 1305 N GLY A 88 4.207 17.133 -5.664 1.00 0.00 N ATOM 1306 CA GLY A 88 5.452 17.844 -5.901 1.00 0.00 C ATOM 1307 C GLY A 88 5.231 19.358 -5.882 1.00 0.00 C ATOM 1308 O GLY A 88 4.203 19.833 -5.401 1.00 0.00 O ATOM 0 H GLY A 88 4.239 16.460 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.182 17.570 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.868 17.546 -6.863 1.00 0.00 H new ATOM 1312 N ALA A 89 6.213 20.074 -6.410 1.00 0.00 N ATOM 1313 CA ALA A 89 6.139 21.524 -6.459 1.00 0.00 C ATOM 1314 C ALA A 89 5.264 21.946 -7.641 1.00 0.00 C ATOM 1315 O ALA A 89 5.665 22.785 -8.447 1.00 0.00 O ATOM 1316 CB ALA A 89 7.552 22.105 -6.543 1.00 0.00 C ATOM 0 H ALA A 89 7.064 19.677 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 89 5.679 21.916 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.496 23.193 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.123 21.800 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.044 21.736 -7.443 1.00 0.00 H new ATOM 1322 N ASP A 90 4.084 21.346 -7.707 1.00 0.00 N ATOM 1323 CA ASP A 90 3.149 21.649 -8.777 1.00 0.00 C ATOM 1324 C ASP A 90 1.836 22.152 -8.173 1.00 0.00 C ATOM 1325 O ASP A 90 1.137 21.406 -7.490 1.00 0.00 O ATOM 1326 CB ASP A 90 2.840 20.402 -9.608 1.00 0.00 C ATOM 1327 CG ASP A 90 2.295 20.679 -11.010 1.00 0.00 C ATOM 1328 OD1 ASP A 90 1.536 21.663 -11.140 1.00 0.00 O ATOM 1329 OD2 ASP A 90 2.649 19.899 -11.921 1.00 0.00 O ATOM 0 H ASP A 90 3.754 20.652 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 90 3.602 22.406 -9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.750 19.809 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.116 19.793 -9.067 1.00 0.00 H new ATOM 1334 N ALA A 91 1.542 23.414 -8.448 1.00 0.00 N ATOM 1335 CA ALA A 91 0.325 24.026 -7.940 1.00 0.00 C ATOM 1336 C ALA A 91 -0.797 23.847 -8.965 1.00 0.00 C ATOM 1337 O ALA A 91 -1.734 24.642 -9.010 1.00 0.00 O ATOM 1338 CB ALA A 91 0.590 25.498 -7.617 1.00 0.00 C ATOM 0 H ALA A 91 2.125 24.030 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 91 0.008 23.541 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.322 25.957 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.374 25.570 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.907 26.017 -8.521 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.663 22.798 -9.764 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.654 22.505 -10.785 1.00 0.00 C ATOM 1346 C ALA A 92 -2.328 21.169 -10.467 1.00 0.00 C ATOM 1347 O ALA A 92 -3.553 21.094 -10.373 1.00 0.00 O ATOM 1348 CB ALA A 92 -0.985 22.507 -12.161 1.00 0.00 C ATOM 0 H ALA A 92 0.116 22.141 -9.725 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.430 23.271 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.728 22.287 -12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.547 23.487 -12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.203 21.748 -12.186 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.500 20.147 -10.309 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.001 18.818 -10.002 1.00 0.00 C ATOM 1356 C LYS A 93 -2.485 18.782 -8.551 1.00 0.00 C ATOM 1357 O LYS A 93 -3.306 17.941 -8.188 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.943 17.760 -10.324 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.109 17.235 -11.751 1.00 0.00 C ATOM 1360 CD LYS A 93 -1.237 18.389 -12.748 1.00 0.00 C ATOM 1361 CE LYS A 93 0.115 19.069 -12.975 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.201 18.064 -13.016 1.00 0.00 N ATOM 0 H LYS A 93 -0.485 20.212 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.859 18.580 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.052 18.188 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.023 16.934 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.253 16.614 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.993 16.600 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.624 18.014 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.957 19.118 -12.376 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.094 19.629 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.306 19.787 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.092 18.527 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.308 17.630 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.967 17.328 -13.712 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.956 19.705 -7.761 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.325 19.790 -6.358 1.00 0.00 C ATOM 1378 C LYS A 94 -3.834 20.012 -6.244 1.00 0.00 C ATOM 1379 O LYS A 94 -4.415 19.817 -5.178 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.490 20.858 -5.649 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.207 22.210 -5.659 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.180 22.324 -4.484 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.282 23.770 -3.994 1.00 0.00 C ATOM 1384 NZ LYS A 94 -4.259 24.526 -4.809 1.00 0.00 N ATOM 0 H LYS A 94 -1.275 20.400 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.102 18.853 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.298 20.552 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.521 20.952 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.474 23.015 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.749 22.331 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.165 21.969 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.847 21.683 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.584 23.785 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.305 24.249 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.316 25.505 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.954 24.527 -5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.194 24.078 -4.734 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.426 20.417 -7.358 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.857 20.668 -7.397 1.00 0.00 C ATOM 1400 C LYS A 95 -6.547 19.544 -8.170 1.00 0.00 C ATOM 1401 O LYS A 95 -7.685 19.696 -8.612 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.141 22.064 -7.956 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.342 22.701 -7.255 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.437 24.194 -7.578 1.00 0.00 C ATOM 1405 CE LYS A 95 -8.819 24.549 -8.130 1.00 0.00 C ATOM 1406 NZ LYS A 95 -9.098 25.990 -7.941 1.00 0.00 N ATOM 0 H LYS A 95 -3.941 20.578 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.272 20.663 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.263 22.697 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.333 21.999 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.258 22.199 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.254 22.563 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.240 24.777 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.671 24.462 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.869 24.299 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.582 23.956 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.040 26.214 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.071 26.219 -6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.380 26.551 -8.442 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.830 18.438 -8.311 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.359 17.288 -9.024 1.00 0.00 C ATOM 1422 C ASP A 96 -6.081 16.020 -8.215 1.00 0.00 C ATOM 1423 O ASP A 96 -6.953 15.163 -8.078 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.692 17.133 -10.392 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.467 18.440 -11.154 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.093 19.445 -10.753 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.676 18.404 -12.121 1.00 0.00 O ATOM 0 H ASP A 96 -4.887 18.314 -7.943 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.430 17.439 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.730 16.639 -10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.305 16.473 -11.006 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.863 15.940 -7.701 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.459 14.791 -6.909 1.00 0.00 C ATOM 1434 C LEU A 97 -5.031 14.924 -5.496 1.00 0.00 C ATOM 1435 O LEU A 97 -5.599 13.973 -4.960 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.938 14.624 -6.944 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.288 14.692 -8.327 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.820 14.265 -8.264 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.080 13.872 -9.347 1.00 0.00 C ATOM 0 H LEU A 97 -4.142 16.652 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.867 13.874 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.493 15.396 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.687 13.664 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.308 15.729 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.381 14.322 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.277 14.927 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.754 13.241 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.596 13.938 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.114 12.830 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.095 14.263 -9.419 1.00 0.00 H new ATOM 1451 N THR A 98 -4.860 16.111 -4.932 1.00 0.00 N ATOM 1452 CA THR A 98 -5.352 16.380 -3.592 1.00 0.00 C ATOM 1453 C THR A 98 -6.611 17.247 -3.650 1.00 0.00 C ATOM 1454 O THR A 98 -7.212 17.545 -2.619 1.00 0.00 O ATOM 1455 CB THR A 98 -4.214 17.015 -2.790 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.997 18.271 -3.428 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.888 16.273 -2.967 1.00 0.00 C ATOM 0 H THR A 98 -4.388 16.897 -5.379 1.00 0.00 H new ATOM 0 HA THR A 98 -5.651 15.461 -3.089 1.00 0.00 H new ATOM 0 HB THR A 98 -4.482 17.033 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.441 18.275 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.114 16.765 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.000 15.242 -2.631 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.603 16.283 -4.019 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.973 17.627 -4.867 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.150 18.453 -5.073 1.00 0.00 C ATOM 1467 C GLY A 99 -9.353 17.895 -4.311 1.00 0.00 C ATOM 1468 O GLY A 99 -9.379 16.715 -3.964 1.00 0.00 O ATOM 0 H GLY A 99 -6.472 17.378 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.946 19.471 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.381 18.504 -6.137 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.321 18.768 -4.073 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.524 18.376 -3.358 1.00 0.00 C ATOM 1474 C CYS A 100 -12.667 18.265 -4.368 1.00 0.00 C ATOM 1475 O CYS A 100 -13.480 17.344 -4.292 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.853 19.354 -2.228 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.879 19.114 -0.698 1.00 0.00 S ATOM 0 H CYS A 100 -10.297 19.746 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.368 17.409 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.693 20.370 -2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.912 19.264 -1.986 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.695 19.215 -5.291 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.726 19.235 -6.314 1.00 0.00 C ATOM 1484 C LYS A 101 -13.067 19.230 -7.695 1.00 0.00 C ATOM 1485 O LYS A 101 -12.185 20.043 -7.969 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.679 20.411 -6.092 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.454 20.738 -7.370 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.264 19.531 -7.845 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.673 19.547 -7.249 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.329 18.233 -7.431 1.00 0.00 N ATOM 0 H LYS A 101 -12.020 19.977 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.343 18.339 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.377 20.171 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.114 21.286 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.122 21.580 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.759 21.045 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.326 19.535 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.754 18.611 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.622 19.791 -6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.267 20.326 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.284 18.262 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.395 18.015 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.770 17.497 -6.955 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.521 18.306 -8.529 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.987 18.185 -9.875 1.00 0.00 C ATOM 1506 C LYS A 102 -11.791 17.230 -9.861 1.00 0.00 C ATOM 1507 O LYS A 102 -11.237 16.908 -10.910 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.664 19.566 -10.450 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.726 19.551 -11.978 1.00 0.00 C ATOM 1510 CD LYS A 102 -11.389 19.982 -12.585 1.00 0.00 C ATOM 1511 CE LYS A 102 -11.205 19.388 -13.983 1.00 0.00 C ATOM 1512 NZ LYS A 102 -10.830 20.445 -14.949 1.00 0.00 N ATOM 0 H LYS A 102 -14.253 17.634 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.733 17.753 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.370 20.300 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.671 19.876 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.981 18.550 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.517 20.219 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.344 21.070 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.572 19.661 -11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.434 18.618 -13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.128 18.904 -14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.709 20.026 -15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.579 21.165 -14.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.938 20.888 -14.650 1.00 0.00 H new ATOM 1526 N SER A 103 -11.429 16.804 -8.659 1.00 0.00 N ATOM 1527 CA SER A 103 -10.310 15.893 -8.494 1.00 0.00 C ATOM 1528 C SER A 103 -10.661 14.522 -9.076 1.00 0.00 C ATOM 1529 O SER A 103 -11.834 14.164 -9.166 1.00 0.00 O ATOM 1530 CB SER A 103 -9.920 15.760 -7.021 1.00 0.00 C ATOM 1531 OG SER A 103 -8.952 14.735 -6.815 1.00 0.00 O ATOM 0 H SER A 103 -11.891 17.073 -7.791 1.00 0.00 H new ATOM 0 HA SER A 103 -9.455 16.301 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.523 16.710 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.809 15.543 -6.429 1.00 0.00 H new ATOM 0 HG SER A 103 -8.060 15.078 -7.033 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.622 13.793 -9.456 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.806 12.469 -10.027 1.00 0.00 C ATOM 1539 C LYS A 104 -10.620 11.609 -9.058 1.00 0.00 C ATOM 1540 O LYS A 104 -11.484 10.842 -9.480 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.456 11.857 -10.406 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.149 12.082 -11.888 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.633 13.501 -12.132 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.250 13.477 -12.787 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.320 12.844 -14.123 1.00 0.00 N ATOM 0 H LYS A 104 -8.650 14.094 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.375 12.530 -10.955 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.668 12.299 -9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.464 10.789 -10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.406 11.358 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.049 11.912 -12.479 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.332 14.041 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.582 14.041 -11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.867 14.493 -12.879 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.551 12.929 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.739 13.385 -14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.963 11.869 -14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.307 12.832 -14.450 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.316 11.767 -7.778 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.009 11.015 -6.747 1.00 0.00 C ATOM 1561 C CYS A 105 -12.446 11.534 -6.656 1.00 0.00 C ATOM 1562 O CYS A 105 -13.400 10.785 -6.851 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.286 11.100 -5.401 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.554 10.539 -5.585 1.00 0.00 S ATOM 0 H CYS A 105 -9.599 12.405 -7.432 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.022 9.958 -7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.308 12.125 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.800 10.484 -4.663 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.559 12.828 -6.357 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.847 13.501 -6.228 1.00 0.00 C ATOM 1571 C HIS A 106 -14.130 14.330 -7.495 1.00 0.00 C ATOM 1572 O HIS A 106 -14.250 15.552 -7.419 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.854 14.315 -4.926 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.722 13.536 -3.637 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.688 12.733 -3.180 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.700 13.466 -2.721 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.283 12.184 -2.024 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.063 12.602 -1.694 1.00 0.00 N ATOM 0 H HIS A 106 -11.757 13.438 -6.198 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.666 12.785 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.039 15.037 -4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.783 14.884 -4.886 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.585 12.565 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.763 13.998 -2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.871 11.493 -1.438 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.228 13.634 -8.618 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.495 14.292 -9.885 1.00 0.00 C ATOM 1588 C GLU A 107 -15.986 14.218 -10.219 1.00 0.00 C ATOM 1589 O GLU A 107 -16.431 13.286 -10.887 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.651 13.683 -11.007 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.826 14.758 -11.718 1.00 0.00 C ATOM 1592 CD GLU A 107 -12.920 14.606 -13.237 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.154 13.776 -13.773 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.756 15.323 -13.829 1.00 0.00 O ATOM 0 H GLU A 107 -14.127 12.621 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.216 15.342 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.987 12.923 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.301 13.184 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.180 15.746 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.784 14.688 -11.406 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.423 -4.044 -3.799 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.890 -4.497 -3.457 1.00 0.00 C HETATM 1604 CHB HEC A 108 -5.072 -7.364 -4.424 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.115 -3.499 -4.216 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.922 -0.652 -3.092 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.730 -5.587 -3.942 1.00 0.00 N HETATM 1608 C1A HEC A 108 -8.096 -5.609 -3.718 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.593 -6.963 -3.792 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.537 -7.760 -4.060 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.376 -6.908 -4.155 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.526 -9.251 -4.235 1.00 0.00 C HETATM 1613 CAA HEC A 108 -10.028 -7.362 -3.600 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.269 -8.235 -2.372 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.408 -9.700 -2.761 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.608 -10.504 -2.236 1.00 0.00 O HETATM 1617 O2A HEC A 108 -11.312 -9.989 -3.575 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.929 -5.186 -4.229 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.943 -6.551 -4.456 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.608 -7.027 -4.733 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.786 -5.958 -4.676 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.604 -4.810 -4.363 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.249 -8.455 -5.025 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.301 -5.922 -4.890 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.166 -6.678 -6.130 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.286 -2.389 -3.758 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.914 -2.369 -3.941 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.393 -1.049 -3.676 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.440 -0.270 -3.334 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.621 -1.099 -3.384 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.946 -0.662 -3.776 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.427 1.185 -2.965 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.222 1.951 -3.502 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.071 -2.817 -3.377 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.053 -1.463 -3.091 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.385 -0.997 -2.787 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.210 -2.060 -2.888 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.397 -3.195 -3.255 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.740 0.418 -2.431 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.695 -2.102 -2.669 1.00 0.00 C HETATM 1641 CBD HEC A 108 -11.111 -1.974 -1.206 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.625 -2.021 -1.061 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.281 -2.376 -2.064 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.099 -1.700 0.051 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.200 0.713 -1.531 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.465 1.080 -3.252 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.813 0.490 -2.251 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.359 -1.266 -3.084 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.594 -0.830 -4.794 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.833 0.392 -3.523 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.527 -9.081 -4.177 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.784 -8.790 -5.914 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.175 -8.532 -5.197 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.885 -9.727 -3.323 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.175 -9.525 -5.067 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.510 -9.585 -4.443 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.662 -2.780 -0.625 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.732 -1.037 -0.798 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.306 1.511 -3.107 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.211 1.896 -4.591 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.287 2.994 -3.192 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.121 -7.726 -6.047 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.297 -6.244 -7.016 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.250 -6.604 -6.214 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.443 -8.118 -1.671 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -11.172 -7.905 -1.858 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.159 -1.297 -3.240 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.084 -3.040 -3.066 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -10.637 -6.462 -3.519 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.368 -7.898 -4.487 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.054 0.403 -2.850 1.00 0.00 H new HETATM 0 HHC HEC A 108 -1.041 -3.345 -4.322 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.937 -8.428 -4.621 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.969 -4.645 -3.405 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.125 -0.723 0.126 1.00 0.00 H new HETATM 0 H2A HEC A 108 -11.158 -10.890 -3.929 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.477 -0.033 8.285 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.651 1.559 10.813 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.614 2.359 6.106 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.002 -1.879 5.862 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.466 -2.415 10.726 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.337 1.586 8.443 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.715 2.138 9.550 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.132 3.415 9.212 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.398 3.640 7.908 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.147 2.504 7.425 1.00 0.00 C HETATM 1687 CMA HEC A 109 -4.008 4.828 7.077 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.380 4.295 10.167 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.212 5.434 10.750 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.430 6.200 11.807 1.00 0.00 C HETATM 1691 O1A HEC A 109 -3.857 7.332 12.120 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.418 5.639 12.282 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.766 0.198 6.405 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.305 1.249 5.631 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.641 1.035 4.244 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.303 -0.140 4.173 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.383 -0.664 5.516 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.298 1.971 3.122 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.866 -0.811 2.954 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.834 -1.083 1.863 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.534 -1.797 8.327 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.213 -2.319 7.240 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.024 -3.442 7.647 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.840 -3.603 8.974 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.914 -2.582 9.402 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.894 -4.250 6.729 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.459 -4.633 9.874 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.231 -6.072 9.419 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.145 -0.364 10.358 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.618 -1.397 11.149 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.105 -1.274 12.493 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.324 -0.173 12.520 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.346 0.396 11.194 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.410 -2.219 13.618 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.561 0.389 13.684 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.049 0.203 13.582 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.405 0.193 14.961 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.539 -0.846 15.642 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.790 1.225 15.308 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.485 -2.233 13.800 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.074 -3.221 13.352 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.893 -1.890 14.520 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.641 -3.602 6.272 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.280 -4.702 5.950 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.393 -5.034 7.298 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.758 2.942 3.305 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.216 2.087 3.063 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.671 1.564 2.182 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.440 5.731 7.508 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.922 4.918 7.058 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.379 4.698 6.060 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.828 -0.732 13.067 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.620 1.006 12.983 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.660 -6.212 8.427 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.161 -6.277 9.384 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.709 -6.756 10.121 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.393 -0.141 1.537 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -6.052 -1.733 2.256 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.319 -1.569 1.016 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.513 6.113 9.953 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.126 5.033 11.189 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.781 1.453 13.770 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -4.914 -0.085 14.600 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.998 3.683 10.984 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.516 4.716 9.653 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.807 -3.133 11.471 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.344 -2.529 5.057 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.421 3.173 5.407 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.019 2.039 11.560 1.00 0.00 H new HETATM 0 H2D HEC A 109 -1.631 1.201 16.275 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.000 6.226 12.946 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.129 7.450 -6.307 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.884 8.635 -9.648 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.594 7.647 -6.652 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.470 6.032 -3.281 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.272 7.357 -6.165 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.460 8.020 -7.853 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.163 8.484 -9.122 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.377 8.796 -9.839 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.407 8.523 -9.011 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.841 8.040 -7.773 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.876 8.677 -9.281 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.435 9.323 -11.243 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.662 8.247 -12.301 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.899 8.566 -13.579 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.001 7.765 -13.919 1.00 0.00 O HETATM 1767 O2A HEC A 110 -5.228 9.604 -14.192 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.710 6.981 -5.205 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.058 7.071 -5.505 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.846 6.477 -4.451 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.983 6.028 -3.515 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.652 6.340 -3.980 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.345 6.396 -4.440 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.300 5.333 -2.223 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.355 4.237 -2.350 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.862 6.956 -4.971 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.157 6.478 -3.707 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.942 6.170 -2.991 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.088 6.459 -3.814 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.480 6.948 -5.049 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.883 5.631 -1.591 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.557 6.315 -3.543 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.906 5.150 -2.620 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.626 7.925 -7.636 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.275 7.773 -7.375 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.502 8.110 -8.544 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.370 8.465 -9.511 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.696 8.351 -8.951 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.000 8.060 -8.623 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.066 8.901 -10.915 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.177 10.407 -11.135 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.151 10.775 -12.575 1.00 0.00 C HETATM 1793 O1D HEC A 110 -0.683 11.478 -13.185 1.00 0.00 O HETATM 1794 O2D HEC A 110 1.230 10.348 -13.039 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.426 8.736 -7.882 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.341 7.044 -8.426 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.322 8.364 -9.619 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.359 6.336 -0.909 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.405 4.675 -1.547 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.158 5.490 -1.299 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.764 7.402 -4.478 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.685 5.828 -5.306 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.676 5.899 -3.528 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.097 9.720 -9.507 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.157 8.055 -10.131 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.442 8.368 -8.402 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.186 10.740 -10.892 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.502 10.928 -10.459 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.413 5.288 -1.658 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.569 4.216 -3.069 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.985 5.113 -2.473 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.285 4.669 -2.719 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.006 3.475 -3.047 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.528 3.783 -1.374 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.342 7.279 -11.915 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.727 8.167 -12.520 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.943 8.580 -11.174 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.747 8.393 -11.598 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.236 10.059 -11.311 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.503 9.844 -11.463 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.358 7.347 -6.076 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.545 5.429 -2.376 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.672 7.805 -6.684 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.797 8.999 -10.672 1.00 0.00 H new HETATM 0 H2D HEC A 110 1.224 10.436 -14.015 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.532 9.834 -14.843 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.038 12.131 -0.210 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.320 9.852 1.096 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.668 14.660 1.515 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.585 14.345 -1.122 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.584 9.607 -2.019 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.655 12.227 1.050 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.471 11.186 1.458 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.516 11.679 2.324 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.338 13.012 2.443 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.181 13.357 1.651 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.160 13.987 3.234 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.582 10.829 2.954 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.314 10.479 4.415 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.603 10.110 5.135 1.00 0.00 C HETATM 1841 O1A HEC A 111 -18.434 9.428 4.496 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.733 10.516 6.309 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.665 14.079 0.197 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.521 14.985 0.799 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.055 16.335 0.581 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.924 16.251 -0.150 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.677 14.849 -0.391 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.736 17.571 1.091 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.055 17.372 -0.640 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.778 17.570 0.172 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.351 11.966 -1.298 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.476 12.977 -1.654 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.538 12.502 -2.644 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.840 11.210 -2.889 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.968 10.872 -2.054 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.446 13.329 -3.258 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.161 10.267 -3.839 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.637 10.322 -3.786 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.420 10.153 -0.465 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.629 9.262 -1.169 1.00 0.00 C HETATM 1861 C2D HEC A 111 -12.042 7.905 -0.899 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.077 7.969 -0.036 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.317 9.367 0.237 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.407 6.681 -1.491 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.860 6.833 0.554 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.863 6.204 -0.409 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.712 5.153 0.293 1.00 0.00 C HETATM 1868 O1D HEC A 111 -15.141 4.441 1.147 1.00 0.00 O HETATM 1869 O2D HEC A 111 -16.915 5.081 -0.038 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.490 6.717 -2.577 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.355 6.644 -1.209 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.914 5.791 -1.118 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.883 14.185 -3.772 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.772 13.680 -2.476 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.889 12.723 -3.972 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.745 17.625 0.683 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.786 17.536 2.179 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.172 18.451 0.782 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.188 13.973 2.872 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.142 13.707 4.287 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.748 14.989 3.118 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.508 6.978 -0.825 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.333 5.748 -1.245 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.300 11.328 -4.037 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.298 10.066 -2.782 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.222 9.612 -4.501 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.036 17.793 1.207 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.179 16.660 0.135 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.206 18.398 -0.246 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.612 9.647 4.470 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.844 11.326 4.915 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.166 6.064 0.893 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.393 7.191 1.435 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.536 11.351 2.885 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.682 9.906 2.382 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.216 8.845 -2.706 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.752 15.023 -1.309 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.207 15.471 2.005 1.00 0.00 H new HETATM 0 HHA HEC A 111 -15.028 9.132 1.506 1.00 0.00 H new HETATM 0 H2D HEC A 111 -17.014 5.353 -0.974 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.671 10.433 6.582 1.00 0.00 H new