USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 65 TYR OH : rot -139:sc= 0.667 USER MOD Set 1.2: A 111 HEC O2D : rot 87:sc= 0.206! USER MOD Single : A 1 ALA N :NH3+ -114:sc= -1.9! (180deg=-4.61!) USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= -0.0673 (180deg=-0.795) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -143:sc= -5.42! (180deg=-7.6!) USER MOD Single : A 14 THR OG1 : rot -169:sc= -0.979 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -3.95! C(o=-5.1!,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.072) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -11:sc= 0.233 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0138 F(o=-0.92,f=-0.014) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 130:sc= -1.99 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 173:sc= -2.06! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -166:sc= -0.601 (180deg=-1.15) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.754 (180deg=-1.55!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0.486 (180deg=0.376) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 69 MET CE :methyl -158:sc= -7.82! (180deg=-9.8!) USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.799) USER MOD Single : A 73 ASN : amide:sc= 0.0657 X(o=0.066,f=0) USER MOD Single : A 74 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= -0.554 (180deg=-2.02!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -148:sc= 1.22 USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= -0.23 (180deg=-0.787) 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 -13:sc= -0.0766 USER MOD Single : A 101 LYS NZ :NH3+ 145:sc= -0.385 (180deg=-1.82!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 81:sc= 1.02 USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0816) USER MOD Single : A 108 HEC O2A : rot 165:sc= -0.0312 USER MOD Single : A 108 HEC O2D : rot 150:sc= -0.659 USER MOD Single : A 109 HEC O2A : rot 165:sc= 0.977 USER MOD Single : A 109 HEC O2D : rot 165:sc= -0.02 USER MOD Single : A 110 HEC O2A : rot 165:sc= 0 USER MOD Single : A 110 HEC O2D : rot 150:sc= 0 USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.420 -13.915 -1.995 1.00 0.00 N ATOM 2 CA ALA A 1 0.272 -14.230 -3.405 1.00 0.00 C ATOM 3 C ALA A 1 -1.212 -14.403 -3.732 1.00 0.00 C ATOM 4 O ALA A 1 -1.687 -15.489 -4.058 1.00 0.00 O ATOM 5 CB ALA A 1 1.092 -15.479 -3.739 1.00 0.00 C ATOM 0 H1 ALA A 1 0.791 -12.949 -1.892 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.505 -13.982 -1.525 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.081 -14.588 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 1 0.653 -13.416 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.981 -15.715 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.143 -15.294 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.737 -16.318 -3.141 1.00 0.00 H new ATOM 13 N PRO A 2 -1.945 -13.291 -3.635 1.00 0.00 N ATOM 14 CA PRO A 2 -3.366 -13.224 -3.899 1.00 0.00 C ATOM 15 C PRO A 2 -3.596 -12.860 -5.359 1.00 0.00 C ATOM 16 O PRO A 2 -4.713 -13.033 -5.845 1.00 0.00 O ATOM 17 CB PRO A 2 -3.886 -12.127 -2.973 1.00 0.00 C ATOM 18 CG PRO A 2 -2.650 -11.121 -3.034 1.00 0.00 C ATOM 19 CD PRO A 2 -1.419 -11.998 -3.253 1.00 0.00 C ATOM 0 HA PRO A 2 -3.876 -14.171 -3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.810 -11.677 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.082 -12.489 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.769 -10.402 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.564 -10.548 -2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.775 -11.588 -4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.818 -12.068 -2.346 1.00 0.00 H new ATOM 27 N LYS A 3 -2.558 -12.370 -6.020 1.00 0.00 N ATOM 28 CA LYS A 3 -2.673 -11.989 -7.418 1.00 0.00 C ATOM 29 C LYS A 3 -3.431 -10.664 -7.520 1.00 0.00 C ATOM 30 O LYS A 3 -4.168 -10.294 -6.608 1.00 0.00 O ATOM 31 CB LYS A 3 -3.301 -13.122 -8.232 1.00 0.00 C ATOM 32 CG LYS A 3 -2.731 -14.479 -7.814 1.00 0.00 C ATOM 33 CD LYS A 3 -3.220 -15.589 -8.747 1.00 0.00 C ATOM 34 CE LYS A 3 -4.734 -15.778 -8.629 1.00 0.00 C ATOM 35 NZ LYS A 3 -5.436 -15.000 -9.674 1.00 0.00 N ATOM 0 H LYS A 3 -1.633 -12.228 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.686 -11.826 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.382 -13.119 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.116 -12.957 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.642 -14.440 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.028 -14.703 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.960 -15.344 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.713 -16.523 -8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.983 -16.835 -8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.070 -15.460 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.203 -14.448 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.764 -14.355 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.835 -15.650 -10.381 1.00 0.00 H new ATOM 49 N ALA A 4 -3.223 -9.986 -8.639 1.00 0.00 N ATOM 50 CA ALA A 4 -3.878 -8.710 -8.873 1.00 0.00 C ATOM 51 C ALA A 4 -4.987 -8.893 -9.912 1.00 0.00 C ATOM 52 O ALA A 4 -4.743 -9.045 -11.106 1.00 0.00 O ATOM 53 CB ALA A 4 -2.838 -7.674 -9.307 1.00 0.00 C ATOM 0 H ALA A 4 -2.610 -10.296 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.342 -8.343 -7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.329 -6.717 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.089 -7.559 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.354 -8.007 -10.225 1.00 0.00 H new ATOM 59 N PRO A 5 -6.228 -8.874 -9.421 1.00 0.00 N ATOM 60 CA PRO A 5 -7.424 -9.026 -10.221 1.00 0.00 C ATOM 61 C PRO A 5 -7.407 -8.017 -11.361 1.00 0.00 C ATOM 62 O PRO A 5 -6.464 -7.234 -11.447 1.00 0.00 O ATOM 63 CB PRO A 5 -8.577 -8.747 -9.259 1.00 0.00 C ATOM 64 CG PRO A 5 -8.039 -9.021 -7.916 1.00 0.00 C ATOM 65 CD PRO A 5 -6.550 -8.697 -8.022 1.00 0.00 C ATOM 0 HA PRO A 5 -7.510 -10.014 -10.672 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.918 -7.715 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.434 -9.385 -9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.526 -8.404 -7.161 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.199 -10.061 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.343 -7.678 -7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.956 -9.360 -7.393 1.00 0.00 H new ATOM 73 N ALA A 6 -8.431 -8.054 -12.201 1.00 0.00 N ATOM 74 CA ALA A 6 -8.511 -7.135 -13.324 1.00 0.00 C ATOM 75 C ALA A 6 -9.172 -5.833 -12.866 1.00 0.00 C ATOM 76 O ALA A 6 -10.105 -5.855 -12.065 1.00 0.00 O ATOM 77 CB ALA A 6 -9.269 -7.800 -14.475 1.00 0.00 C ATOM 0 H ALA A 6 -9.212 -8.706 -12.127 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.514 -6.888 -13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.329 -7.111 -15.317 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.743 -8.704 -14.783 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.275 -8.060 -14.146 1.00 0.00 H new ATOM 83 N ASP A 7 -8.661 -4.731 -13.394 1.00 0.00 N ATOM 84 CA ASP A 7 -9.190 -3.422 -13.049 1.00 0.00 C ATOM 85 C ASP A 7 -10.719 -3.477 -13.051 1.00 0.00 C ATOM 86 O ASP A 7 -11.308 -4.431 -13.557 1.00 0.00 O ATOM 87 CB ASP A 7 -8.754 -2.366 -14.068 1.00 0.00 C ATOM 88 CG ASP A 7 -7.524 -2.738 -14.898 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.406 -2.560 -14.367 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.729 -3.191 -16.045 1.00 0.00 O ATOM 0 H ASP A 7 -7.887 -4.717 -14.058 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.808 -3.153 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.585 -2.171 -14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.549 -1.435 -13.539 1.00 0.00 H new ATOM 95 N GLY A 8 -11.317 -2.443 -12.480 1.00 0.00 N ATOM 96 CA GLY A 8 -12.766 -2.362 -12.410 1.00 0.00 C ATOM 97 C GLY A 8 -13.246 -2.368 -10.957 1.00 0.00 C ATOM 98 O GLY A 8 -14.348 -2.830 -10.665 1.00 0.00 O ATOM 0 H GLY A 8 -10.825 -1.654 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.107 -1.453 -12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.207 -3.202 -12.946 1.00 0.00 H new ATOM 102 N LEU A 9 -12.394 -1.850 -10.084 1.00 0.00 N ATOM 103 CA LEU A 9 -12.717 -1.791 -8.668 1.00 0.00 C ATOM 104 C LEU A 9 -12.941 -0.333 -8.262 1.00 0.00 C ATOM 105 O LEU A 9 -12.069 0.511 -8.460 1.00 0.00 O ATOM 106 CB LEU A 9 -11.642 -2.501 -7.843 1.00 0.00 C ATOM 107 CG LEU A 9 -10.873 -1.628 -6.850 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.731 -1.306 -5.624 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.543 -2.279 -6.463 1.00 0.00 C ATOM 0 H LEU A 9 -11.481 -1.468 -10.330 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.645 -2.325 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.114 -3.315 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.926 -2.954 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.639 -0.682 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.161 -0.684 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.628 -0.771 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.017 -2.233 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.016 -1.638 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.733 -3.248 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.931 -2.415 -7.355 1.00 0.00 H new ATOM 121 N LYS A 10 -14.114 -0.082 -7.700 1.00 0.00 N ATOM 122 CA LYS A 10 -14.464 1.259 -7.264 1.00 0.00 C ATOM 123 C LYS A 10 -15.014 1.199 -5.838 1.00 0.00 C ATOM 124 O LYS A 10 -15.675 0.232 -5.463 1.00 0.00 O ATOM 125 CB LYS A 10 -15.417 1.916 -8.264 1.00 0.00 C ATOM 126 CG LYS A 10 -16.853 1.430 -8.054 1.00 0.00 C ATOM 127 CD LYS A 10 -17.004 -0.032 -8.479 1.00 0.00 C ATOM 128 CE LYS A 10 -18.351 -0.266 -9.167 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.564 -1.710 -9.412 1.00 0.00 N ATOM 0 H LYS A 10 -14.835 -0.785 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.579 1.895 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.376 3.000 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.097 1.688 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.127 1.538 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.539 2.052 -8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.194 -0.303 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.920 -0.679 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.156 0.126 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.383 0.278 -10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.482 -1.851 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.805 -2.074 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.554 -2.221 -8.506 1.00 0.00 H new ATOM 143 N MET A 11 -14.722 2.247 -5.080 1.00 0.00 N ATOM 144 CA MET A 11 -15.180 2.325 -3.704 1.00 0.00 C ATOM 145 C MET A 11 -16.230 3.425 -3.537 1.00 0.00 C ATOM 146 O MET A 11 -15.924 4.608 -3.676 1.00 0.00 O ATOM 147 CB MET A 11 -13.990 2.613 -2.786 1.00 0.00 C ATOM 148 CG MET A 11 -12.794 1.730 -3.146 1.00 0.00 C ATOM 149 SD MET A 11 -11.278 2.657 -2.977 1.00 0.00 S ATOM 150 CE MET A 11 -11.009 2.494 -1.220 1.00 0.00 C ATOM 0 H MET A 11 -14.174 3.048 -5.393 1.00 0.00 H new ATOM 0 HA MET A 11 -15.635 1.371 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.709 3.663 -2.867 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.276 2.439 -1.749 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.769 0.855 -2.497 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.895 1.366 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.595 3.423 -0.828 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.957 2.282 -0.725 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.311 1.678 -1.033 1.00 0.00 H new ATOM 160 N GLU A 12 -17.449 2.995 -3.242 1.00 0.00 N ATOM 161 CA GLU A 12 -18.546 3.929 -3.056 1.00 0.00 C ATOM 162 C GLU A 12 -19.439 3.474 -1.898 1.00 0.00 C ATOM 163 O GLU A 12 -20.647 3.319 -2.066 1.00 0.00 O ATOM 164 CB GLU A 12 -19.357 4.087 -4.343 1.00 0.00 C ATOM 165 CG GLU A 12 -20.265 2.877 -4.571 1.00 0.00 C ATOM 166 CD GLU A 12 -20.318 2.502 -6.054 1.00 0.00 C ATOM 167 OE1 GLU A 12 -20.987 3.245 -6.804 1.00 0.00 O ATOM 168 OE2 GLU A 12 -19.687 1.481 -6.404 1.00 0.00 O ATOM 0 H GLU A 12 -17.700 2.013 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.128 4.905 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.960 4.993 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.682 4.204 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.900 2.030 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.270 3.099 -4.212 1.00 0.00 H new ATOM 175 N ALA A 13 -18.808 3.274 -0.751 1.00 0.00 N ATOM 176 CA ALA A 13 -19.529 2.841 0.434 1.00 0.00 C ATOM 177 C ALA A 13 -20.174 4.054 1.106 1.00 0.00 C ATOM 178 O ALA A 13 -21.166 3.919 1.820 1.00 0.00 O ATOM 179 CB ALA A 13 -18.575 2.095 1.369 1.00 0.00 C ATOM 0 H ALA A 13 -17.805 3.404 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.328 2.150 0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.116 1.770 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.168 1.225 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.761 2.758 1.662 1.00 0.00 H new ATOM 185 N THR A 14 -19.584 5.214 0.853 1.00 0.00 N ATOM 186 CA THR A 14 -20.089 6.450 1.425 1.00 0.00 C ATOM 187 C THR A 14 -20.827 7.267 0.363 1.00 0.00 C ATOM 188 O THR A 14 -21.252 6.726 -0.657 1.00 0.00 O ATOM 189 CB THR A 14 -18.910 7.196 2.053 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.293 7.860 0.953 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.826 6.248 2.571 1.00 0.00 C ATOM 0 H THR A 14 -18.761 5.323 0.260 1.00 0.00 H new ATOM 0 HA THR A 14 -20.823 6.253 2.207 1.00 0.00 H new ATOM 0 HB THR A 14 -19.270 7.819 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.427 8.223 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.013 6.829 3.007 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.250 5.591 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.442 5.648 1.746 1.00 0.00 H new ATOM 199 N LYS A 15 -20.958 8.556 0.638 1.00 0.00 N ATOM 200 CA LYS A 15 -21.639 9.453 -0.281 1.00 0.00 C ATOM 201 C LYS A 15 -20.621 10.038 -1.262 1.00 0.00 C ATOM 202 O LYS A 15 -20.918 10.999 -1.970 1.00 0.00 O ATOM 203 CB LYS A 15 -22.429 10.511 0.490 1.00 0.00 C ATOM 204 CG LYS A 15 -23.370 9.861 1.507 1.00 0.00 C ATOM 205 CD LYS A 15 -24.595 10.741 1.761 1.00 0.00 C ATOM 206 CE LYS A 15 -24.348 11.703 2.924 1.00 0.00 C ATOM 207 NZ LYS A 15 -25.382 11.531 3.968 1.00 0.00 N ATOM 0 H LYS A 15 -20.604 9.001 1.485 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.375 8.908 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.740 11.182 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.005 11.119 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.689 8.885 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.838 9.692 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.833 11.307 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.459 10.113 1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -23.360 11.523 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.357 12.731 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -25.199 12.192 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.320 11.725 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -25.355 10.555 4.326 1.00 0.00 H new ATOM 221 N GLN A 16 -19.442 9.434 -1.273 1.00 0.00 N ATOM 222 CA GLN A 16 -18.379 9.884 -2.156 1.00 0.00 C ATOM 223 C GLN A 16 -17.699 8.686 -2.822 1.00 0.00 C ATOM 224 O GLN A 16 -16.720 8.133 -2.326 1.00 0.00 O ATOM 225 CB GLN A 16 -17.362 10.739 -1.398 1.00 0.00 C ATOM 226 CG GLN A 16 -17.740 10.861 0.080 1.00 0.00 C ATOM 227 CD GLN A 16 -18.607 12.098 0.324 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.340 12.460 -0.725 1.00 0.00 O flip ATOM 229 NE2 GLN A 16 -18.611 12.684 1.393 1.00 0.00 N flip ATOM 0 H GLN A 16 -19.199 8.637 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.820 10.506 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.370 10.296 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.310 11.731 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.278 9.967 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.836 10.921 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.024 12.353 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.202 13.505 1.522 1.00 0.00 H new ATOM 238 N PRO A 17 -18.250 8.292 -3.973 1.00 0.00 N ATOM 239 CA PRO A 17 -17.770 7.185 -4.770 1.00 0.00 C ATOM 240 C PRO A 17 -16.403 7.526 -5.347 1.00 0.00 C ATOM 241 O PRO A 17 -16.258 8.597 -5.935 1.00 0.00 O ATOM 242 CB PRO A 17 -18.807 7.022 -5.879 1.00 0.00 C ATOM 243 CG PRO A 17 -20.025 7.833 -5.457 1.00 0.00 C ATOM 244 CD PRO A 17 -19.402 8.920 -4.583 1.00 0.00 C ATOM 0 HA PRO A 17 -17.652 6.267 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.415 7.378 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.068 5.972 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.552 8.252 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.745 7.229 -4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.111 9.786 -5.177 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.106 9.272 -3.829 1.00 0.00 H new ATOM 252 N VAL A 18 -15.444 6.629 -5.173 1.00 0.00 N ATOM 253 CA VAL A 18 -14.103 6.859 -5.684 1.00 0.00 C ATOM 254 C VAL A 18 -13.582 5.574 -6.331 1.00 0.00 C ATOM 255 O VAL A 18 -13.486 4.539 -5.673 1.00 0.00 O ATOM 256 CB VAL A 18 -13.198 7.375 -4.564 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.792 7.673 -5.089 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.805 8.608 -3.891 1.00 0.00 C ATOM 0 H VAL A 18 -15.569 5.742 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.114 7.630 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.116 6.590 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.169 8.038 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.356 6.762 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.848 8.431 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.141 8.954 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.932 9.400 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.774 8.350 -3.465 1.00 0.00 H new ATOM 268 N VAL A 19 -13.258 5.683 -7.611 1.00 0.00 N ATOM 269 CA VAL A 19 -12.748 4.543 -8.353 1.00 0.00 C ATOM 270 C VAL A 19 -11.227 4.477 -8.200 1.00 0.00 C ATOM 271 O VAL A 19 -10.577 5.501 -7.991 1.00 0.00 O ATOM 272 CB VAL A 19 -13.199 4.625 -9.813 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.134 5.304 -10.678 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.546 3.239 -10.359 1.00 0.00 C ATOM 0 H VAL A 19 -13.339 6.543 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.155 3.615 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.101 5.235 -9.851 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.479 5.350 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.956 6.314 -10.310 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.207 4.732 -10.630 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.863 3.326 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.669 2.595 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.354 2.807 -9.768 1.00 0.00 H new ATOM 284 N PHE A 20 -10.705 3.265 -8.308 1.00 0.00 N ATOM 285 CA PHE A 20 -9.273 3.053 -8.184 1.00 0.00 C ATOM 286 C PHE A 20 -8.841 1.780 -8.914 1.00 0.00 C ATOM 287 O PHE A 20 -9.265 0.681 -8.557 1.00 0.00 O ATOM 288 CB PHE A 20 -8.972 2.898 -6.691 1.00 0.00 C ATOM 289 CG PHE A 20 -7.840 1.916 -6.384 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.101 0.585 -6.291 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.572 2.375 -6.203 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.050 -0.327 -6.005 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.522 1.463 -5.917 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.783 0.132 -5.824 1.00 0.00 C ATOM 0 H PHE A 20 -11.248 2.419 -8.480 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.733 3.892 -8.624 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.714 3.874 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.876 2.566 -6.181 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.108 0.221 -6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.364 3.432 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.257 -1.384 -5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.515 1.827 -5.773 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.984 -0.561 -5.606 1.00 0.00 H new ATOM 304 N ASN A 21 -8.004 1.969 -9.923 1.00 0.00 N ATOM 305 CA ASN A 21 -7.510 0.850 -10.706 1.00 0.00 C ATOM 306 C ASN A 21 -6.097 0.492 -10.243 1.00 0.00 C ATOM 307 O ASN A 21 -5.252 1.367 -10.062 1.00 0.00 O ATOM 308 CB ASN A 21 -7.445 1.204 -12.193 1.00 0.00 C ATOM 309 CG ASN A 21 -8.453 2.301 -12.540 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.119 3.335 -13.096 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.703 2.020 -12.183 1.00 0.00 N ATOM 0 H ASN A 21 -7.655 2.881 -10.216 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.193 0.013 -10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.439 1.536 -12.448 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.648 0.316 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.450 2.689 -12.372 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.915 1.136 -11.721 1.00 0.00 H new ATOM 318 N HIS A 22 -5.876 -0.810 -10.060 1.00 0.00 N ATOM 319 CA HIS A 22 -4.591 -1.341 -9.620 1.00 0.00 C ATOM 320 C HIS A 22 -3.512 -1.034 -10.676 1.00 0.00 C ATOM 321 O HIS A 22 -2.325 -1.005 -10.356 1.00 0.00 O ATOM 322 CB HIS A 22 -4.753 -2.834 -9.299 1.00 0.00 C ATOM 323 CG HIS A 22 -5.305 -3.179 -7.935 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.612 -3.343 -7.707 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.678 -3.387 -6.729 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.793 -3.641 -6.411 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.631 -3.681 -5.761 1.00 0.00 N ATOM 0 H HIS A 22 -6.586 -1.526 -10.214 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.253 -0.859 -8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.406 -3.275 -10.052 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.779 -3.312 -9.403 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.351 -3.256 -8.404 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.613 -3.331 -6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.755 -3.824 -5.955 1.00 0.00 H new ATOM 335 N SER A 23 -3.965 -0.815 -11.901 1.00 0.00 N ATOM 336 CA SER A 23 -3.054 -0.513 -12.993 1.00 0.00 C ATOM 337 C SER A 23 -2.371 0.833 -12.747 1.00 0.00 C ATOM 338 O SER A 23 -1.212 1.022 -13.115 1.00 0.00 O ATOM 339 CB SER A 23 -3.789 -0.499 -14.335 1.00 0.00 C ATOM 340 OG SER A 23 -4.214 0.812 -14.696 1.00 0.00 O ATOM 0 H SER A 23 -4.951 -0.840 -12.162 1.00 0.00 H new ATOM 0 HA SER A 23 -2.296 -1.295 -13.033 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.134 -0.895 -15.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.655 -1.159 -14.281 1.00 0.00 H new ATOM 0 HG SER A 23 -4.677 0.780 -15.559 1.00 0.00 H new ATOM 346 N THR A 24 -3.118 1.735 -12.126 1.00 0.00 N ATOM 347 CA THR A 24 -2.598 3.059 -11.827 1.00 0.00 C ATOM 348 C THR A 24 -1.852 3.049 -10.492 1.00 0.00 C ATOM 349 O THR A 24 -1.335 4.074 -10.051 1.00 0.00 O ATOM 350 CB THR A 24 -3.768 4.045 -11.863 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.674 3.544 -10.884 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.556 3.971 -13.172 1.00 0.00 C ATOM 0 H THR A 24 -4.078 1.575 -11.822 1.00 0.00 H new ATOM 0 HA THR A 24 -1.866 3.374 -12.570 1.00 0.00 H new ATOM 0 HB THR A 24 -3.393 5.059 -11.722 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.391 2.648 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.374 4.690 -13.145 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.896 4.203 -14.008 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.960 2.966 -13.297 1.00 0.00 H new ATOM 360 N HIS A 25 -1.816 1.868 -9.874 1.00 0.00 N ATOM 361 CA HIS A 25 -1.150 1.664 -8.593 1.00 0.00 C ATOM 362 C HIS A 25 -0.565 0.241 -8.530 1.00 0.00 C ATOM 363 O HIS A 25 -0.790 -0.477 -7.557 1.00 0.00 O ATOM 364 CB HIS A 25 -2.137 1.992 -7.462 1.00 0.00 C ATOM 365 CG HIS A 25 -2.705 3.392 -7.441 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.720 3.769 -8.225 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.364 4.498 -6.700 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.000 5.059 -7.982 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.192 5.558 -7.049 1.00 0.00 N ATOM 0 H HIS A 25 -2.250 1.025 -10.251 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.301 2.337 -8.473 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.968 1.289 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.636 1.814 -6.511 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.203 3.174 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.576 4.537 -5.962 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.779 5.619 -8.478 1.00 0.00 H new ATOM 377 N LYS A 26 0.168 -0.116 -9.574 1.00 0.00 N ATOM 378 CA LYS A 26 0.780 -1.433 -9.644 1.00 0.00 C ATOM 379 C LYS A 26 2.283 -1.305 -9.389 1.00 0.00 C ATOM 380 O LYS A 26 3.005 -2.301 -9.406 1.00 0.00 O ATOM 381 CB LYS A 26 0.435 -2.115 -10.969 1.00 0.00 C ATOM 382 CG LYS A 26 -0.687 -3.138 -10.784 1.00 0.00 C ATOM 383 CD LYS A 26 -0.131 -4.563 -10.759 1.00 0.00 C ATOM 384 CE LYS A 26 -0.447 -5.298 -12.063 1.00 0.00 C ATOM 385 NZ LYS A 26 0.658 -6.215 -12.422 1.00 0.00 N ATOM 0 H LYS A 26 0.352 0.483 -10.379 1.00 0.00 H new ATOM 0 HA LYS A 26 0.379 -2.082 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.131 -1.365 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.320 -2.609 -11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.219 -2.935 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.410 -3.040 -11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.948 -4.534 -10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.557 -5.109 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.374 -5.861 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.604 -4.577 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.427 -6.706 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.535 -5.670 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.789 -6.914 -11.664 1.00 0.00 H new ATOM 399 N SER A 27 2.710 -0.072 -9.161 1.00 0.00 N ATOM 400 CA SER A 27 4.114 0.198 -8.904 1.00 0.00 C ATOM 401 C SER A 27 4.319 0.542 -7.427 1.00 0.00 C ATOM 402 O SER A 27 5.257 1.257 -7.077 1.00 0.00 O ATOM 403 CB SER A 27 4.627 1.335 -9.790 1.00 0.00 C ATOM 404 OG SER A 27 4.192 1.198 -11.140 1.00 0.00 O ATOM 0 H SER A 27 2.108 0.751 -9.149 1.00 0.00 H new ATOM 0 HA SER A 27 4.685 -0.699 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.280 2.289 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.716 1.354 -9.760 1.00 0.00 H new ATOM 0 HG SER A 27 4.539 1.944 -11.673 1.00 0.00 H new ATOM 410 N VAL A 28 3.426 0.017 -6.601 1.00 0.00 N ATOM 411 CA VAL A 28 3.498 0.260 -5.170 1.00 0.00 C ATOM 412 C VAL A 28 3.298 -1.060 -4.423 1.00 0.00 C ATOM 413 O VAL A 28 2.494 -1.895 -4.834 1.00 0.00 O ATOM 414 CB VAL A 28 2.483 1.333 -4.770 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.338 1.410 -3.249 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.865 2.694 -5.355 1.00 0.00 C ATOM 0 H VAL A 28 2.649 -0.575 -6.895 1.00 0.00 H new ATOM 0 HA VAL A 28 4.481 0.643 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 28 1.515 1.051 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.611 2.180 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.998 0.448 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.302 1.657 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.127 3.439 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.847 2.987 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.893 2.628 -6.443 1.00 0.00 H new ATOM 426 N LYS A 29 4.044 -1.208 -3.338 1.00 0.00 N ATOM 427 CA LYS A 29 3.960 -2.412 -2.530 1.00 0.00 C ATOM 428 C LYS A 29 2.521 -2.594 -2.043 1.00 0.00 C ATOM 429 O LYS A 29 1.912 -1.656 -1.530 1.00 0.00 O ATOM 430 CB LYS A 29 4.991 -2.373 -1.400 1.00 0.00 C ATOM 431 CG LYS A 29 5.584 -3.761 -1.151 1.00 0.00 C ATOM 432 CD LYS A 29 5.698 -4.048 0.348 1.00 0.00 C ATOM 433 CE LYS A 29 6.558 -5.287 0.605 1.00 0.00 C ATOM 434 NZ LYS A 29 6.799 -5.458 2.055 1.00 0.00 N ATOM 0 H LYS A 29 4.710 -0.513 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 29 4.209 -3.289 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.788 -1.673 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.522 -2.005 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.958 -4.518 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.569 -3.828 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.134 -3.187 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.704 -4.197 0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.061 -6.171 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.509 -5.192 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.384 -6.303 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.293 -4.621 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.890 -5.570 2.547 1.00 0.00 H new ATOM 448 N CYS A 30 2.019 -3.807 -2.220 1.00 0.00 N ATOM 449 CA CYS A 30 0.663 -4.124 -1.805 1.00 0.00 C ATOM 450 C CYS A 30 0.528 -3.798 -0.316 1.00 0.00 C ATOM 451 O CYS A 30 -0.572 -3.539 0.169 1.00 0.00 O ATOM 452 CB CYS A 30 0.305 -5.581 -2.105 1.00 0.00 C ATOM 453 SG CYS A 30 1.002 -6.237 -3.664 1.00 0.00 S ATOM 0 H CYS A 30 2.527 -4.582 -2.645 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.044 -3.521 -2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.650 -6.203 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.780 -5.674 -2.141 1.00 0.00 H new ATOM 458 N GLY A 31 1.663 -3.822 0.368 1.00 0.00 N ATOM 459 CA GLY A 31 1.685 -3.533 1.791 1.00 0.00 C ATOM 460 C GLY A 31 1.498 -2.036 2.050 1.00 0.00 C ATOM 461 O GLY A 31 1.458 -1.602 3.200 1.00 0.00 O ATOM 0 H GLY A 31 2.574 -4.037 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.896 -4.094 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.631 -3.864 2.218 1.00 0.00 H new ATOM 465 N ASP A 32 1.390 -1.289 0.961 1.00 0.00 N ATOM 466 CA ASP A 32 1.208 0.149 1.055 1.00 0.00 C ATOM 467 C ASP A 32 -0.274 0.459 1.270 1.00 0.00 C ATOM 468 O ASP A 32 -0.618 1.412 1.967 1.00 0.00 O ATOM 469 CB ASP A 32 1.656 0.846 -0.231 1.00 0.00 C ATOM 470 CG ASP A 32 2.072 2.309 -0.063 1.00 0.00 C ATOM 471 OD1 ASP A 32 3.177 2.526 0.479 1.00 0.00 O ATOM 472 OD2 ASP A 32 1.276 3.177 -0.481 1.00 0.00 O ATOM 0 H ASP A 32 1.425 -1.653 0.009 1.00 0.00 H new ATOM 0 HA ASP A 32 1.809 0.511 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.494 0.292 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.843 0.796 -0.956 1.00 0.00 H new ATOM 477 N CYS A 33 -1.113 -0.364 0.657 1.00 0.00 N ATOM 478 CA CYS A 33 -2.551 -0.190 0.773 1.00 0.00 C ATOM 479 C CYS A 33 -3.097 -1.293 1.681 1.00 0.00 C ATOM 480 O CYS A 33 -3.899 -1.034 2.576 1.00 0.00 O ATOM 481 CB CYS A 33 -3.232 -0.189 -0.597 1.00 0.00 C ATOM 482 SG CYS A 33 -3.404 1.527 -1.209 1.00 0.00 S ATOM 0 H CYS A 33 -0.824 -1.153 0.079 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.768 0.783 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.648 -0.779 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.213 -0.658 -0.525 1.00 0.00 H new ATOM 487 N HIS A 34 -2.638 -2.517 1.419 1.00 0.00 N ATOM 488 CA HIS A 34 -3.045 -3.695 2.179 1.00 0.00 C ATOM 489 C HIS A 34 -2.064 -3.928 3.342 1.00 0.00 C ATOM 490 O HIS A 34 -1.128 -4.715 3.221 1.00 0.00 O ATOM 491 CB HIS A 34 -3.178 -4.885 1.217 1.00 0.00 C ATOM 492 CG HIS A 34 -4.119 -4.710 0.047 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.447 -4.781 0.175 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.876 -4.465 -1.283 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.010 -4.587 -1.028 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.084 -4.387 -1.965 1.00 0.00 N ATOM 0 H HIS A 34 -1.973 -2.718 0.672 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.023 -3.555 2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.188 -5.118 0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.506 -5.752 1.791 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.951 -4.954 1.045 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.899 -4.351 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.074 -4.592 -1.212 1.00 0.00 H new ATOM 504 N HIS A 35 -2.314 -3.227 4.449 1.00 0.00 N ATOM 505 CA HIS A 35 -1.491 -3.321 5.649 1.00 0.00 C ATOM 506 C HIS A 35 -1.911 -4.553 6.472 1.00 0.00 C ATOM 507 O HIS A 35 -3.026 -5.058 6.358 1.00 0.00 O ATOM 508 CB HIS A 35 -1.573 -1.992 6.414 1.00 0.00 C ATOM 509 CG HIS A 35 -2.829 -1.747 7.218 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.156 -2.483 8.285 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.832 -0.818 7.073 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.316 -2.031 8.785 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.778 -1.003 8.074 1.00 0.00 N ATOM 0 H HIS A 35 -3.096 -2.577 4.536 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.441 -3.474 5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.720 -1.936 7.090 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.465 -1.179 5.696 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.612 -3.261 8.658 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.878 -0.063 6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.811 -2.446 9.651 1.00 0.00 H new ATOM 521 N PRO A 36 -0.983 -5.024 7.309 1.00 0.00 N ATOM 522 CA PRO A 36 -1.171 -6.168 8.175 1.00 0.00 C ATOM 523 C PRO A 36 -2.262 -5.865 9.192 1.00 0.00 C ATOM 524 O PRO A 36 -2.313 -4.741 9.691 1.00 0.00 O ATOM 525 CB PRO A 36 0.179 -6.365 8.861 1.00 0.00 C ATOM 526 CG PRO A 36 1.178 -5.574 8.078 1.00 0.00 C ATOM 527 CD PRO A 36 0.337 -4.455 7.468 1.00 0.00 C ATOM 0 HA PRO A 36 -1.480 -7.063 7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.141 -6.024 9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.452 -7.420 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.969 -5.181 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.659 -6.180 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.314 -3.580 8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.745 -4.131 6.511 1.00 0.00 H new ATOM 535 N VAL A 37 -3.099 -6.851 9.477 1.00 0.00 N ATOM 536 CA VAL A 37 -4.177 -6.665 10.433 1.00 0.00 C ATOM 537 C VAL A 37 -4.257 -7.888 11.349 1.00 0.00 C ATOM 538 O VAL A 37 -3.849 -7.827 12.508 1.00 0.00 O ATOM 539 CB VAL A 37 -5.488 -6.384 9.697 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.528 -5.777 10.641 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.253 -5.479 8.485 1.00 0.00 C ATOM 0 H VAL A 37 -3.053 -7.782 9.062 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.982 -5.798 11.064 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.879 -7.335 9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.450 -5.587 10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.728 -6.471 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.148 -4.840 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.201 -5.295 7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.828 -4.531 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.563 -5.966 7.796 1.00 0.00 H new ATOM 551 N ASN A 38 -4.784 -8.970 10.795 1.00 0.00 N ATOM 552 CA ASN A 38 -4.922 -10.205 11.547 1.00 0.00 C ATOM 553 C ASN A 38 -3.642 -11.030 11.405 1.00 0.00 C ATOM 554 O ASN A 38 -3.653 -12.099 10.797 1.00 0.00 O ATOM 555 CB ASN A 38 -6.087 -11.044 11.019 1.00 0.00 C ATOM 556 CG ASN A 38 -7.361 -10.782 11.825 1.00 0.00 C ATOM 557 OD1 ASN A 38 -7.503 -9.520 12.218 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -8.163 -11.668 12.072 1.00 0.00 N flip ATOM 0 H ASN A 38 -5.121 -9.017 9.833 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.108 -9.946 12.589 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.262 -10.810 9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.831 -12.102 11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.993 -12.617 11.740 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.004 -11.459 12.611 1.00 0.00 H new ATOM 565 N GLY A 39 -2.569 -10.502 11.975 1.00 0.00 N ATOM 566 CA GLY A 39 -1.283 -11.176 11.918 1.00 0.00 C ATOM 567 C GLY A 39 -1.093 -11.884 10.575 1.00 0.00 C ATOM 568 O GLY A 39 -0.525 -12.973 10.518 1.00 0.00 O ATOM 0 H GLY A 39 -2.564 -9.615 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.482 -10.452 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.213 -11.901 12.729 1.00 0.00 H new ATOM 572 N LYS A 40 -1.579 -11.234 9.527 1.00 0.00 N ATOM 573 CA LYS A 40 -1.470 -11.788 8.188 1.00 0.00 C ATOM 574 C LYS A 40 -2.043 -10.789 7.180 1.00 0.00 C ATOM 575 O LYS A 40 -3.258 -10.623 7.088 1.00 0.00 O ATOM 576 CB LYS A 40 -2.124 -13.170 8.124 1.00 0.00 C ATOM 577 CG LYS A 40 -2.510 -13.528 6.687 1.00 0.00 C ATOM 578 CD LYS A 40 -3.382 -14.784 6.651 1.00 0.00 C ATOM 579 CE LYS A 40 -2.841 -15.798 5.642 1.00 0.00 C ATOM 580 NZ LYS A 40 -3.274 -17.167 5.999 1.00 0.00 N ATOM 0 H LYS A 40 -2.049 -10.330 9.578 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.424 -11.944 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.438 -13.920 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.011 -13.186 8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.047 -12.695 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.610 -13.689 6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.417 -15.235 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.405 -14.514 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.194 -15.548 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.752 -15.750 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.898 -17.843 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.916 -17.409 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.313 -17.213 6.000 1.00 0.00 H new ATOM 594 N GLU A 41 -1.141 -10.150 6.450 1.00 0.00 N ATOM 595 CA GLU A 41 -1.542 -9.172 5.452 1.00 0.00 C ATOM 596 C GLU A 41 -3.002 -9.391 5.052 1.00 0.00 C ATOM 597 O GLU A 41 -3.346 -10.428 4.488 1.00 0.00 O ATOM 598 CB GLU A 41 -0.623 -9.228 4.230 1.00 0.00 C ATOM 599 CG GLU A 41 0.572 -8.288 4.399 1.00 0.00 C ATOM 600 CD GLU A 41 1.653 -8.583 3.356 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.560 -9.662 2.732 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.547 -7.723 3.208 1.00 0.00 O ATOM 0 H GLU A 41 -0.134 -10.290 6.529 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.451 -8.177 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.269 -10.249 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.183 -8.953 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.242 -7.254 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.988 -8.399 5.400 1.00 0.00 H new ATOM 609 N ASP A 42 -3.822 -8.396 5.359 1.00 0.00 N ATOM 610 CA ASP A 42 -5.237 -8.467 5.038 1.00 0.00 C ATOM 611 C ASP A 42 -5.485 -7.780 3.693 1.00 0.00 C ATOM 612 O ASP A 42 -4.796 -6.841 3.303 1.00 0.00 O ATOM 613 CB ASP A 42 -6.078 -7.751 6.097 1.00 0.00 C ATOM 614 CG ASP A 42 -6.767 -8.671 7.106 1.00 0.00 C ATOM 615 OD1 ASP A 42 -6.191 -9.746 7.378 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.853 -8.278 7.583 1.00 0.00 O ATOM 0 H ASP A 42 -3.533 -7.537 5.827 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.523 -9.518 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.437 -7.057 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.839 -7.155 5.593 1.00 0.00 H new ATOM 621 N TYR A 43 -6.501 -8.278 2.985 1.00 0.00 N ATOM 622 CA TYR A 43 -6.864 -7.740 1.689 1.00 0.00 C ATOM 623 C TYR A 43 -8.375 -7.580 1.602 1.00 0.00 C ATOM 624 O TYR A 43 -8.909 -7.578 0.494 1.00 0.00 O ATOM 625 CB TYR A 43 -6.354 -8.671 0.592 1.00 0.00 C ATOM 626 CG TYR A 43 -4.918 -8.412 0.201 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.892 -8.614 1.131 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.615 -7.969 -1.092 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.561 -8.374 0.768 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.284 -7.728 -1.454 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.257 -7.931 -0.524 1.00 0.00 C ATOM 632 OH TYR A 43 -0.961 -7.696 -0.878 1.00 0.00 O ATOM 0 H TYR A 43 -7.084 -9.055 3.296 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.407 -6.759 1.556 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.450 -9.703 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.987 -8.563 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.127 -8.955 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.407 -7.813 -1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.769 -8.531 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.049 -7.385 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.764 -8.154 -1.722 1.00 0.00 H new ATOM 642 N ARG A 44 -9.025 -7.450 2.748 1.00 0.00 N ATOM 643 CA ARG A 44 -10.469 -7.291 2.776 1.00 0.00 C ATOM 644 C ARG A 44 -10.840 -5.806 2.762 1.00 0.00 C ATOM 645 O ARG A 44 -9.978 -4.946 2.935 1.00 0.00 O ATOM 646 CB ARG A 44 -11.072 -7.948 4.019 1.00 0.00 C ATOM 647 CG ARG A 44 -10.381 -9.279 4.325 1.00 0.00 C ATOM 648 CD ARG A 44 -11.090 -10.016 5.463 1.00 0.00 C ATOM 649 NE ARG A 44 -10.127 -10.329 6.542 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.475 -10.551 7.827 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.769 -10.495 8.206 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.530 -10.823 8.708 1.00 0.00 N ATOM 0 H ARG A 44 -8.578 -7.451 3.665 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.873 -7.779 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.973 -7.278 4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.138 -8.114 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.374 -9.903 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.341 -9.099 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.901 -9.402 5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.539 -10.935 5.087 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.138 -10.380 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.493 -10.284 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.023 -10.664 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.554 -10.863 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.776 -10.993 9.683 1.00 0.00 H new ATOM 665 N LYS A 45 -12.124 -5.552 2.555 1.00 0.00 N ATOM 666 CA LYS A 45 -12.619 -4.187 2.516 1.00 0.00 C ATOM 667 C LYS A 45 -11.877 -3.350 3.560 1.00 0.00 C ATOM 668 O LYS A 45 -11.606 -3.823 4.663 1.00 0.00 O ATOM 669 CB LYS A 45 -14.140 -4.164 2.679 1.00 0.00 C ATOM 670 CG LYS A 45 -14.807 -5.172 1.740 1.00 0.00 C ATOM 671 CD LYS A 45 -15.462 -6.307 2.530 1.00 0.00 C ATOM 672 CE LYS A 45 -16.459 -7.076 1.661 1.00 0.00 C ATOM 673 NZ LYS A 45 -15.753 -8.053 0.803 1.00 0.00 N ATOM 0 H LYS A 45 -12.836 -6.268 2.413 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.418 -3.737 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.402 -4.395 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.517 -3.163 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.558 -4.667 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.065 -5.582 1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.695 -6.988 2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.973 -5.900 3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.179 -7.593 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.023 -6.379 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.444 -8.566 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.083 -7.552 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.235 -8.729 1.400 1.00 0.00 H new ATOM 687 N CYS A 46 -11.568 -2.120 3.175 1.00 0.00 N ATOM 688 CA CYS A 46 -10.863 -1.213 4.064 1.00 0.00 C ATOM 689 C CYS A 46 -11.724 -0.992 5.309 1.00 0.00 C ATOM 690 O CYS A 46 -11.228 -1.059 6.432 1.00 0.00 O ATOM 691 CB CYS A 46 -10.517 0.106 3.369 1.00 0.00 C ATOM 692 SG CYS A 46 -9.129 0.005 2.181 1.00 0.00 S ATOM 0 H CYS A 46 -11.793 -1.731 2.259 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.911 -1.655 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.401 0.467 2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.273 0.848 4.129 1.00 0.00 H new ATOM 697 N GLY A 47 -13.001 -0.734 5.067 1.00 0.00 N ATOM 698 CA GLY A 47 -13.937 -0.503 6.155 1.00 0.00 C ATOM 699 C GLY A 47 -14.284 -1.812 6.866 1.00 0.00 C ATOM 700 O GLY A 47 -13.673 -2.155 7.877 1.00 0.00 O ATOM 0 H GLY A 47 -13.410 -0.680 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.505 0.199 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.846 -0.044 5.766 1.00 0.00 H new ATOM 704 N THR A 48 -15.266 -2.508 6.311 1.00 0.00 N ATOM 705 CA THR A 48 -15.702 -3.772 6.879 1.00 0.00 C ATOM 706 C THR A 48 -16.064 -3.596 8.355 1.00 0.00 C ATOM 707 O THR A 48 -15.759 -2.566 8.954 1.00 0.00 O ATOM 708 CB THR A 48 -14.596 -4.803 6.643 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.677 -4.136 5.783 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.077 -5.999 5.819 1.00 0.00 C ATOM 0 H THR A 48 -15.772 -2.220 5.474 1.00 0.00 H new ATOM 0 HA THR A 48 -16.610 -4.132 6.395 1.00 0.00 H new ATOM 0 HB THR A 48 -14.215 -5.153 7.603 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.876 -4.688 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.254 -6.700 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.893 -6.497 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.427 -5.654 4.846 1.00 0.00 H new ATOM 718 N ALA A 49 -16.709 -4.618 8.899 1.00 0.00 N ATOM 719 CA ALA A 49 -17.116 -4.589 10.293 1.00 0.00 C ATOM 720 C ALA A 49 -15.975 -5.117 11.164 1.00 0.00 C ATOM 721 O ALA A 49 -15.521 -6.246 10.981 1.00 0.00 O ATOM 722 CB ALA A 49 -18.404 -5.397 10.466 1.00 0.00 C ATOM 0 H ALA A 49 -16.960 -5.471 8.399 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.327 -3.568 10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.709 -5.375 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.191 -4.963 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.230 -6.429 10.160 1.00 0.00 H new ATOM 728 N GLY A 50 -15.543 -4.276 12.093 1.00 0.00 N ATOM 729 CA GLY A 50 -14.464 -4.645 12.993 1.00 0.00 C ATOM 730 C GLY A 50 -13.250 -3.734 12.794 1.00 0.00 C ATOM 731 O GLY A 50 -12.406 -3.617 13.681 1.00 0.00 O ATOM 0 H GLY A 50 -15.921 -3.340 12.241 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.808 -4.579 14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.178 -5.682 12.818 1.00 0.00 H new ATOM 735 N CYS A 51 -13.202 -3.112 11.625 1.00 0.00 N ATOM 736 CA CYS A 51 -12.106 -2.216 11.299 1.00 0.00 C ATOM 737 C CYS A 51 -12.666 -0.798 11.172 1.00 0.00 C ATOM 738 O CYS A 51 -13.513 -0.382 11.960 1.00 0.00 O ATOM 739 CB CYS A 51 -11.373 -2.656 10.030 1.00 0.00 C ATOM 740 SG CYS A 51 -11.190 -4.477 10.013 1.00 0.00 S ATOM 0 H CYS A 51 -13.905 -3.211 10.892 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.363 -2.242 12.096 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.926 -2.329 9.149 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.392 -2.183 9.984 1.00 0.00 H new ATOM 745 N HIS A 52 -12.168 -0.084 10.163 1.00 0.00 N ATOM 746 CA HIS A 52 -12.581 1.287 9.883 1.00 0.00 C ATOM 747 C HIS A 52 -14.084 1.320 9.551 1.00 0.00 C ATOM 748 O HIS A 52 -14.458 1.416 8.383 1.00 0.00 O ATOM 749 CB HIS A 52 -11.678 1.863 8.782 1.00 0.00 C ATOM 750 CG HIS A 52 -10.189 1.675 8.956 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.454 2.453 9.756 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.319 0.766 8.403 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.177 2.045 9.704 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.037 1.006 8.883 1.00 0.00 N ATOM 0 H HIS A 52 -11.465 -0.443 9.516 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.457 1.928 10.756 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.969 1.412 7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.879 2.931 8.702 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.806 3.230 10.315 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.589 -0.013 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.368 2.500 10.256 1.00 0.00 H new ATOM 762 N ASP A 53 -14.897 1.240 10.595 1.00 0.00 N ATOM 763 CA ASP A 53 -16.339 1.261 10.423 1.00 0.00 C ATOM 764 C ASP A 53 -16.888 2.601 10.917 1.00 0.00 C ATOM 765 O ASP A 53 -18.054 2.697 11.297 1.00 0.00 O ATOM 766 CB ASP A 53 -17.007 0.149 11.235 1.00 0.00 C ATOM 767 CG ASP A 53 -17.235 0.474 12.712 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.256 0.350 13.479 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.384 0.841 13.042 1.00 0.00 O ATOM 0 H ASP A 53 -14.584 1.161 11.562 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.554 1.114 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.968 -0.087 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.393 -0.749 11.167 1.00 0.00 H new ATOM 774 N SER A 54 -16.021 3.602 10.897 1.00 0.00 N ATOM 775 CA SER A 54 -16.404 4.933 11.338 1.00 0.00 C ATOM 776 C SER A 54 -16.479 5.880 10.139 1.00 0.00 C ATOM 777 O SER A 54 -15.509 6.025 9.396 1.00 0.00 O ATOM 778 CB SER A 54 -15.421 5.472 12.380 1.00 0.00 C ATOM 779 OG SER A 54 -16.065 6.307 13.339 1.00 0.00 O ATOM 0 H SER A 54 -15.054 3.519 10.582 1.00 0.00 H new ATOM 0 HA SER A 54 -17.387 4.869 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.940 4.638 12.890 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.634 6.036 11.879 1.00 0.00 H new ATOM 0 HG SER A 54 -15.405 6.630 13.988 1.00 0.00 H new ATOM 785 N MET A 55 -17.639 6.501 9.988 1.00 0.00 N ATOM 786 CA MET A 55 -17.854 7.431 8.892 1.00 0.00 C ATOM 787 C MET A 55 -18.490 8.730 9.391 1.00 0.00 C ATOM 788 O MET A 55 -19.574 9.104 8.947 1.00 0.00 O ATOM 789 CB MET A 55 -18.764 6.785 7.845 1.00 0.00 C ATOM 790 CG MET A 55 -18.286 5.374 7.498 1.00 0.00 C ATOM 791 SD MET A 55 -18.356 5.123 5.732 1.00 0.00 S ATOM 792 CE MET A 55 -17.955 3.385 5.650 1.00 0.00 C ATOM 0 H MET A 55 -18.441 6.379 10.607 1.00 0.00 H new ATOM 0 HA MET A 55 -16.887 7.670 8.448 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.786 6.744 8.222 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.781 7.399 6.944 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.266 5.229 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 55 -18.908 4.636 8.004 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.711 3.116 4.622 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.099 3.178 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 55 -18.810 2.798 5.985 1.00 0.00 H new ATOM 802 N ASP A 56 -17.788 9.381 10.306 1.00 0.00 N ATOM 803 CA ASP A 56 -18.271 10.630 10.870 1.00 0.00 C ATOM 804 C ASP A 56 -17.229 11.727 10.637 1.00 0.00 C ATOM 805 O ASP A 56 -16.269 11.528 9.894 1.00 0.00 O ATOM 806 CB ASP A 56 -18.494 10.504 12.378 1.00 0.00 C ATOM 807 CG ASP A 56 -19.723 11.241 12.914 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.168 12.182 12.221 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.191 10.846 14.004 1.00 0.00 O ATOM 0 H ASP A 56 -16.889 9.067 10.671 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.216 10.875 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.584 9.447 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.610 10.880 12.893 1.00 0.00 H new ATOM 814 N LYS A 57 -17.454 12.860 11.285 1.00 0.00 N ATOM 815 CA LYS A 57 -16.547 13.988 11.158 1.00 0.00 C ATOM 816 C LYS A 57 -16.173 14.496 12.552 1.00 0.00 C ATOM 817 O LYS A 57 -16.879 15.325 13.124 1.00 0.00 O ATOM 818 CB LYS A 57 -17.152 15.063 10.253 1.00 0.00 C ATOM 819 CG LYS A 57 -16.067 15.769 9.438 1.00 0.00 C ATOM 820 CD LYS A 57 -15.293 14.770 8.574 1.00 0.00 C ATOM 821 CE LYS A 57 -14.724 15.450 7.327 1.00 0.00 C ATOM 822 NZ LYS A 57 -15.678 15.349 6.200 1.00 0.00 N ATOM 0 H LYS A 57 -18.252 13.021 11.900 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.621 13.680 10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.880 14.609 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.689 15.793 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.521 16.529 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.380 16.284 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.482 14.332 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.951 13.953 8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.514 16.498 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.777 14.985 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.165 15.446 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.153 14.425 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.387 16.106 6.277 1.00 0.00 H new ATOM 836 N LYS A 58 -15.064 13.978 13.058 1.00 0.00 N ATOM 837 CA LYS A 58 -14.587 14.369 14.374 1.00 0.00 C ATOM 838 C LYS A 58 -13.472 13.417 14.811 1.00 0.00 C ATOM 839 O LYS A 58 -12.337 13.842 15.025 1.00 0.00 O ATOM 840 CB LYS A 58 -15.752 14.448 15.363 1.00 0.00 C ATOM 841 CG LYS A 58 -16.000 15.892 15.804 1.00 0.00 C ATOM 842 CD LYS A 58 -16.785 15.937 17.117 1.00 0.00 C ATOM 843 CE LYS A 58 -15.911 16.451 18.262 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.315 17.821 18.648 1.00 0.00 N ATOM 0 H LYS A 58 -14.481 13.290 12.580 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.157 15.370 14.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.653 14.045 14.901 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.536 13.830 16.234 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.047 16.407 15.928 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.551 16.423 15.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.656 16.582 17.002 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.156 14.941 17.357 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.997 15.785 19.120 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.864 16.446 17.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.711 18.155 19.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.210 18.457 17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.308 17.816 18.957 1.00 0.00 H new ATOM 858 N ASP A 59 -13.833 12.148 14.931 1.00 0.00 N ATOM 859 CA ASP A 59 -12.877 11.134 15.340 1.00 0.00 C ATOM 860 C ASP A 59 -11.861 10.915 14.216 1.00 0.00 C ATOM 861 O ASP A 59 -12.235 10.583 13.092 1.00 0.00 O ATOM 862 CB ASP A 59 -13.573 9.799 15.613 1.00 0.00 C ATOM 863 CG ASP A 59 -12.641 8.590 15.708 1.00 0.00 C ATOM 864 OD1 ASP A 59 -11.972 8.308 14.690 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.617 7.975 16.796 1.00 0.00 O ATOM 0 H ASP A 59 -14.775 11.799 14.752 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.388 11.479 16.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.132 9.882 16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.300 9.617 14.821 1.00 0.00 H new ATOM 870 N LYS A 60 -10.596 11.109 14.560 1.00 0.00 N ATOM 871 CA LYS A 60 -9.524 10.937 13.594 1.00 0.00 C ATOM 872 C LYS A 60 -8.636 9.770 14.028 1.00 0.00 C ATOM 873 O LYS A 60 -7.447 9.739 13.713 1.00 0.00 O ATOM 874 CB LYS A 60 -8.763 12.250 13.400 1.00 0.00 C ATOM 875 CG LYS A 60 -9.727 13.435 13.315 1.00 0.00 C ATOM 876 CD LYS A 60 -8.986 14.718 12.931 1.00 0.00 C ATOM 877 CE LYS A 60 -9.329 15.858 13.892 1.00 0.00 C ATOM 878 NZ LYS A 60 -10.774 16.171 13.830 1.00 0.00 N ATOM 0 H LYS A 60 -10.290 11.383 15.493 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.930 10.683 12.615 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.070 12.399 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.165 12.197 12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.503 13.225 12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.226 13.572 14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.911 14.539 12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.250 15.004 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.055 15.579 14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.748 16.744 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.959 17.058 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.064 16.275 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.315 15.400 14.270 1.00 0.00 H new ATOM 892 N SER A 61 -9.246 8.837 14.745 1.00 0.00 N ATOM 893 CA SER A 61 -8.525 7.671 15.225 1.00 0.00 C ATOM 894 C SER A 61 -8.265 6.703 14.069 1.00 0.00 C ATOM 895 O SER A 61 -8.555 7.017 12.915 1.00 0.00 O ATOM 896 CB SER A 61 -9.298 6.968 16.343 1.00 0.00 C ATOM 897 OG SER A 61 -8.443 6.191 17.177 1.00 0.00 O ATOM 0 H SER A 61 -10.232 8.865 15.005 1.00 0.00 H new ATOM 0 HA SER A 61 -7.570 8.003 15.633 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.816 7.712 16.948 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.061 6.324 15.906 1.00 0.00 H new ATOM 0 HG SER A 61 -8.974 5.760 17.879 1.00 0.00 H new ATOM 903 N ALA A 62 -7.721 5.547 14.418 1.00 0.00 N ATOM 904 CA ALA A 62 -7.419 4.531 13.424 1.00 0.00 C ATOM 905 C ALA A 62 -8.722 3.883 12.951 1.00 0.00 C ATOM 906 O ALA A 62 -8.713 3.055 12.041 1.00 0.00 O ATOM 907 CB ALA A 62 -6.442 3.513 14.015 1.00 0.00 C ATOM 0 H ALA A 62 -7.481 5.291 15.376 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.938 4.977 12.553 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.215 2.751 13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.522 4.019 14.308 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.891 3.043 14.890 1.00 0.00 H new ATOM 913 N LYS A 63 -9.811 4.284 13.590 1.00 0.00 N ATOM 914 CA LYS A 63 -11.119 3.752 13.247 1.00 0.00 C ATOM 915 C LYS A 63 -11.772 4.654 12.198 1.00 0.00 C ATOM 916 O LYS A 63 -12.786 4.289 11.604 1.00 0.00 O ATOM 917 CB LYS A 63 -11.966 3.558 14.505 1.00 0.00 C ATOM 918 CG LYS A 63 -11.499 2.336 15.299 1.00 0.00 C ATOM 919 CD LYS A 63 -11.327 2.677 16.780 1.00 0.00 C ATOM 920 CE LYS A 63 -10.670 1.521 17.536 1.00 0.00 C ATOM 921 NZ LYS A 63 -9.348 1.929 18.061 1.00 0.00 N ATOM 0 H LYS A 63 -9.814 4.971 14.344 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.023 2.762 12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.903 4.448 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.013 3.437 14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.223 1.529 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.554 1.974 14.894 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.718 3.575 16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.299 2.899 17.221 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.312 1.205 18.358 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.556 0.664 16.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.916 1.132 18.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.732 2.209 17.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.465 2.733 18.710 1.00 0.00 H new ATOM 935 N GLY A 64 -11.165 5.815 12.002 1.00 0.00 N ATOM 936 CA GLY A 64 -11.675 6.773 11.035 1.00 0.00 C ATOM 937 C GLY A 64 -11.439 6.286 9.604 1.00 0.00 C ATOM 938 O GLY A 64 -10.310 6.110 9.152 1.00 0.00 O ATOM 0 H GLY A 64 -10.325 6.114 12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.741 6.928 11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.187 7.737 11.180 1.00 0.00 H new ATOM 942 N TYR A 65 -12.547 6.068 8.892 1.00 0.00 N ATOM 943 CA TYR A 65 -12.494 5.603 7.521 1.00 0.00 C ATOM 944 C TYR A 65 -11.861 6.669 6.638 1.00 0.00 C ATOM 945 O TYR A 65 -10.870 6.410 5.959 1.00 0.00 O ATOM 946 CB TYR A 65 -13.905 5.273 7.043 1.00 0.00 C ATOM 947 CG TYR A 65 -13.935 4.428 5.792 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.883 3.545 5.518 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.014 4.527 4.906 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.911 2.761 4.358 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.042 3.743 3.746 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.991 2.860 3.472 1.00 0.00 C ATOM 953 OH TYR A 65 -14.018 2.096 2.343 1.00 0.00 O ATOM 0 H TYR A 65 -13.491 6.209 9.252 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.884 4.702 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.436 4.750 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.444 6.202 6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.050 3.469 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.825 5.208 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.100 2.080 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.875 3.820 3.063 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.351 2.632 1.593 1.00 0.00 H new ATOM 963 N TYR A 66 -12.437 7.874 6.650 1.00 0.00 N ATOM 964 CA TYR A 66 -11.928 8.970 5.851 1.00 0.00 C ATOM 965 C TYR A 66 -10.629 9.488 6.453 1.00 0.00 C ATOM 966 O TYR A 66 -10.031 10.398 5.882 1.00 0.00 O ATOM 967 CB TYR A 66 -12.974 10.080 5.787 1.00 0.00 C ATOM 968 CG TYR A 66 -12.394 11.438 5.470 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.690 12.145 6.452 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.560 11.989 4.194 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.153 13.404 6.158 1.00 0.00 C ATOM 972 CE2 TYR A 66 -12.023 13.248 3.900 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.320 13.956 4.883 1.00 0.00 C ATOM 974 OH TYR A 66 -10.797 15.182 4.596 1.00 0.00 O ATOM 0 H TYR A 66 -13.258 8.107 7.209 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.723 8.622 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.716 9.825 5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.497 10.131 6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.561 11.719 7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.102 11.443 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.610 13.949 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.151 13.673 2.915 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.003 15.416 3.667 1.00 0.00 H new ATOM 984 N HIS A 67 -10.222 8.910 7.573 1.00 0.00 N ATOM 985 CA HIS A 67 -8.995 9.328 8.229 1.00 0.00 C ATOM 986 C HIS A 67 -7.858 8.382 7.842 1.00 0.00 C ATOM 987 O HIS A 67 -6.692 8.661 8.117 1.00 0.00 O ATOM 988 CB HIS A 67 -9.194 9.428 9.743 1.00 0.00 C ATOM 989 CG HIS A 67 -7.911 9.363 10.537 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.186 10.490 10.882 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.234 8.297 11.049 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.121 10.107 11.570 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.152 8.747 11.672 1.00 0.00 N ATOM 0 H HIS A 67 -10.721 8.155 8.043 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.721 10.327 7.891 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.703 10.364 9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.851 8.621 10.067 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.528 7.261 10.962 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.361 10.757 11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.458 8.171 12.148 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.237 7.281 7.209 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.263 6.291 6.781 1.00 0.00 C ATOM 1003 C VAL A 68 -7.156 6.313 5.255 1.00 0.00 C ATOM 1004 O VAL A 68 -6.701 5.345 4.647 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.639 4.914 7.334 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.564 4.899 8.863 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.025 4.488 6.849 1.00 0.00 C ATOM 0 H VAL A 68 -9.205 7.053 6.982 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.277 6.529 7.179 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.916 4.192 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.836 3.910 9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.549 5.138 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.254 5.639 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.267 3.506 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.767 5.213 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.031 4.440 5.760 1.00 0.00 H new ATOM 1017 N MET A 69 -7.584 7.427 4.680 1.00 0.00 N ATOM 1018 CA MET A 69 -7.542 7.588 3.237 1.00 0.00 C ATOM 1019 C MET A 69 -7.499 9.068 2.851 1.00 0.00 C ATOM 1020 O MET A 69 -7.984 9.458 1.791 1.00 0.00 O ATOM 1021 CB MET A 69 -8.778 6.934 2.614 1.00 0.00 C ATOM 1022 CG MET A 69 -9.811 6.582 3.687 1.00 0.00 C ATOM 1023 SD MET A 69 -11.060 5.508 3.001 1.00 0.00 S ATOM 1024 CE MET A 69 -10.442 3.925 3.549 1.00 0.00 C ATOM 0 H MET A 69 -7.962 8.227 5.188 1.00 0.00 H new ATOM 0 HA MET A 69 -6.638 7.108 2.863 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.223 7.610 1.884 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.485 6.032 2.076 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.321 6.093 4.529 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.273 7.491 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.846 3.137 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.354 3.918 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.749 3.752 4.581 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.908 9.866 3.741 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.772 11.305 3.547 1.00 0.00 C ATOM 1036 C HIS A 70 -5.550 11.822 4.329 1.00 0.00 C ATOM 1037 O HIS A 70 -4.506 12.091 3.738 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.097 11.984 3.923 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.278 11.716 3.019 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.168 10.750 3.265 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.686 12.325 1.857 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.094 10.756 2.294 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.845 11.710 1.398 1.00 0.00 N ATOM 0 H HIS A 70 -6.510 9.529 4.618 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.580 11.551 2.503 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.364 11.673 4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.930 13.061 3.955 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.147 10.112 4.061 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.185 13.152 1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.932 10.076 2.245 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.724 11.943 5.637 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.652 12.419 6.494 1.00 0.00 C ATOM 1053 C ASP A 71 -3.353 11.700 6.126 1.00 0.00 C ATOM 1054 O ASP A 71 -3.382 10.583 5.610 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.953 12.129 7.966 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.400 13.341 8.786 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.203 14.469 8.285 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -5.929 13.112 9.895 1.00 0.00 O ATOM 0 H ASP A 71 -6.592 11.719 6.124 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.559 13.496 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.730 11.367 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.060 11.706 8.427 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.244 12.368 6.406 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.937 11.806 6.110 1.00 0.00 C ATOM 1065 C LYS A 72 -0.188 11.551 7.420 1.00 0.00 C ATOM 1066 O LYS A 72 0.854 10.898 7.427 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.176 12.704 5.133 1.00 0.00 C ATOM 1068 CG LYS A 72 1.268 12.229 4.962 1.00 0.00 C ATOM 1069 CD LYS A 72 1.969 12.996 3.839 1.00 0.00 C ATOM 1070 CE LYS A 72 3.041 13.932 4.400 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.489 14.888 3.363 1.00 0.00 N ATOM 0 H LYS A 72 -2.223 13.293 6.835 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.041 10.844 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.679 12.704 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.184 13.732 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.813 12.367 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.280 11.162 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.424 12.292 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.236 13.573 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.645 14.476 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.890 13.349 4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.507 15.068 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.309 14.487 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.966 15.781 3.465 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.750 12.080 8.498 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.148 11.917 9.811 1.00 0.00 C ATOM 1087 C ASN A 73 -0.671 10.629 10.450 1.00 0.00 C ATOM 1088 O ASN A 73 -1.029 10.618 11.627 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.512 13.084 10.731 1.00 0.00 C ATOM 1090 CG ASN A 73 0.698 13.533 11.552 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.364 14.507 11.243 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.945 12.770 12.614 1.00 0.00 N ATOM 0 H ASN A 73 -1.615 12.621 8.489 1.00 0.00 H new ATOM 0 HA ASN A 73 0.934 11.881 9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.882 13.919 10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.320 12.786 11.400 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.732 12.987 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.348 11.968 12.816 1.00 0.00 H new ATOM 1099 N THR A 74 -0.699 9.576 9.647 1.00 0.00 N ATOM 1100 CA THR A 74 -1.171 8.286 10.120 1.00 0.00 C ATOM 1101 C THR A 74 -0.037 7.259 10.091 1.00 0.00 C ATOM 1102 O THR A 74 1.003 7.495 9.479 1.00 0.00 O ATOM 1103 CB THR A 74 -2.377 7.883 9.269 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.945 8.101 7.929 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.559 8.840 9.439 1.00 0.00 C ATOM 0 H THR A 74 -0.402 9.590 8.671 1.00 0.00 H new ATOM 0 HA THR A 74 -1.492 8.340 11.160 1.00 0.00 H new ATOM 0 HB THR A 74 -2.687 6.872 9.534 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.492 7.298 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.388 8.509 8.814 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.873 8.849 10.483 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.259 9.845 9.142 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.276 6.142 10.762 1.00 0.00 N ATOM 1114 CA LYS A 75 0.712 5.078 10.821 1.00 0.00 C ATOM 1115 C LYS A 75 1.007 4.583 9.403 1.00 0.00 C ATOM 1116 O LYS A 75 2.158 4.313 9.064 1.00 0.00 O ATOM 1117 CB LYS A 75 0.254 3.974 11.775 1.00 0.00 C ATOM 1118 CG LYS A 75 1.370 2.955 12.010 1.00 0.00 C ATOM 1119 CD LYS A 75 2.244 3.363 13.199 1.00 0.00 C ATOM 1120 CE LYS A 75 3.490 4.116 12.730 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.166 3.373 11.642 1.00 0.00 N ATOM 0 H LYS A 75 -1.140 5.951 11.270 1.00 0.00 H new ATOM 0 HA LYS A 75 1.651 5.452 11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.049 4.413 12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.621 3.472 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.937 1.972 12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.985 2.871 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.669 3.992 13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.540 2.476 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.211 5.110 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.176 4.252 13.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.188 3.564 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.001 2.353 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.785 3.679 10.724 1.00 0.00 H new ATOM 1135 N PHE A 76 -0.052 4.480 8.614 1.00 0.00 N ATOM 1136 CA PHE A 76 0.079 4.023 7.241 1.00 0.00 C ATOM 1137 C PHE A 76 -0.267 5.140 6.255 1.00 0.00 C ATOM 1138 O PHE A 76 -0.985 6.077 6.601 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.911 2.871 7.057 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.726 1.725 8.054 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.516 1.222 8.287 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.802 1.209 8.705 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.688 0.158 9.212 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.630 0.145 9.630 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.388 -0.358 9.864 1.00 0.00 C ATOM 0 H PHE A 76 -1.005 4.705 8.899 1.00 0.00 H new ATOM 0 HA PHE A 76 1.106 3.712 7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.925 3.259 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.811 2.478 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.371 1.631 7.769 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.788 1.608 8.519 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.674 -0.242 9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.485 -0.265 10.147 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.257 -1.167 10.567 1.00 0.00 H new ATOM 1155 N LYS A 77 0.260 5.004 5.048 1.00 0.00 N ATOM 1156 CA LYS A 77 0.016 5.990 4.009 1.00 0.00 C ATOM 1157 C LYS A 77 -1.472 5.989 3.650 1.00 0.00 C ATOM 1158 O LYS A 77 -2.171 5.007 3.892 1.00 0.00 O ATOM 1159 CB LYS A 77 0.938 5.748 2.812 1.00 0.00 C ATOM 1160 CG LYS A 77 2.370 5.466 3.272 1.00 0.00 C ATOM 1161 CD LYS A 77 3.343 6.496 2.694 1.00 0.00 C ATOM 1162 CE LYS A 77 4.598 6.611 3.562 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.699 7.243 2.801 1.00 0.00 N ATOM 0 H LYS A 77 0.856 4.226 4.766 1.00 0.00 H new ATOM 0 HA LYS A 77 0.257 6.990 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.567 4.906 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.927 6.620 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.417 5.487 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.666 4.465 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.622 6.209 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.853 7.467 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.379 7.200 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.904 5.622 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.543 7.313 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.919 6.666 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.410 8.195 2.498 1.00 0.00 H new ATOM 1177 N SER A 78 -1.911 7.101 3.078 1.00 0.00 N ATOM 1178 CA SER A 78 -3.302 7.240 2.682 1.00 0.00 C ATOM 1179 C SER A 78 -3.405 7.350 1.160 1.00 0.00 C ATOM 1180 O SER A 78 -2.586 6.785 0.437 1.00 0.00 O ATOM 1181 CB SER A 78 -3.944 8.459 3.348 1.00 0.00 C ATOM 1182 OG SER A 78 -3.637 9.667 2.657 1.00 0.00 O ATOM 0 H SER A 78 -1.328 7.914 2.879 1.00 0.00 H new ATOM 0 HA SER A 78 -3.842 6.353 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.025 8.326 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.598 8.533 4.379 1.00 0.00 H new ATOM 0 HG SER A 78 -3.593 10.408 3.297 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.418 8.081 0.719 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.638 8.273 -0.705 1.00 0.00 C ATOM 1190 C CYS A 79 -4.206 9.694 -1.071 1.00 0.00 C ATOM 1191 O CYS A 79 -3.598 9.911 -2.118 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.093 8.000 -1.094 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.674 6.300 -0.747 1.00 0.00 S ATOM 0 H CYS A 79 -5.096 8.547 1.322 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.040 7.557 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.734 8.704 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.213 8.200 -2.159 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.537 10.625 -0.188 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.191 12.019 -0.405 1.00 0.00 C ATOM 1200 C VAL A 80 -2.731 12.245 -0.009 1.00 0.00 C ATOM 1201 O VAL A 80 -2.053 13.097 -0.582 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.164 12.924 0.353 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.734 14.390 0.262 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.595 12.739 -0.156 1.00 0.00 C ATOM 0 H VAL A 80 -5.041 10.441 0.679 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.285 12.276 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.142 12.634 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.443 15.012 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.740 14.505 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.712 14.699 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.266 13.394 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.639 12.989 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.900 11.702 -0.015 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.289 11.468 0.970 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.922 11.572 1.449 1.00 0.00 C ATOM 1216 C GLY A 81 0.076 11.383 0.305 1.00 0.00 C ATOM 1217 O GLY A 81 0.723 12.337 -0.124 1.00 0.00 O ATOM 0 H GLY A 81 -2.854 10.764 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.769 12.546 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.745 10.821 2.219 1.00 0.00 H new ATOM 1221 N CYS A 82 0.171 10.144 -0.156 1.00 0.00 N ATOM 1222 CA CYS A 82 1.080 9.818 -1.242 1.00 0.00 C ATOM 1223 C CYS A 82 0.956 10.902 -2.314 1.00 0.00 C ATOM 1224 O CYS A 82 1.957 11.416 -2.809 1.00 0.00 O ATOM 1225 CB CYS A 82 0.807 8.422 -1.807 1.00 0.00 C ATOM 1226 SG CYS A 82 2.252 7.843 -2.769 1.00 0.00 S ATOM 0 H CYS A 82 -0.366 9.355 0.203 1.00 0.00 H new ATOM 0 HA CYS A 82 2.104 9.794 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.598 7.726 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.078 8.445 -2.443 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.294 11.224 -2.649 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.609 12.236 -3.651 1.00 0.00 C ATOM 1233 C HIS A 83 0.016 13.583 -3.246 1.00 0.00 C ATOM 1234 O HIS A 83 0.468 14.338 -4.106 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.131 12.280 -3.851 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.739 11.180 -4.690 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.832 11.365 -5.436 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.366 9.870 -4.877 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.129 10.216 -6.063 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.255 9.260 -5.753 1.00 0.00 N ATOM 0 H HIS A 83 -1.116 10.788 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.173 11.988 -4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.604 12.259 -2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.386 13.236 -4.307 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.355 12.237 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.515 9.391 -4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.967 10.084 -6.731 1.00 0.00 H new ATOM 1248 N VAL A 84 0.021 13.837 -1.946 1.00 0.00 N ATOM 1249 CA VAL A 84 0.582 15.073 -1.428 1.00 0.00 C ATOM 1250 C VAL A 84 2.102 15.049 -1.598 1.00 0.00 C ATOM 1251 O VAL A 84 2.705 16.055 -1.972 1.00 0.00 O ATOM 1252 CB VAL A 84 0.147 15.277 0.025 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.872 16.469 0.653 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.370 15.443 0.125 1.00 0.00 C ATOM 0 H VAL A 84 -0.354 13.208 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 84 0.205 15.928 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 84 0.424 14.384 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.544 16.591 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.947 16.293 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.641 17.373 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.652 15.586 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.680 16.311 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.860 14.551 -0.264 1.00 0.00 H new ATOM 1264 N GLU A 85 2.680 13.890 -1.317 1.00 0.00 N ATOM 1265 CA GLU A 85 4.118 13.722 -1.435 1.00 0.00 C ATOM 1266 C GLU A 85 4.522 13.620 -2.907 1.00 0.00 C ATOM 1267 O GLU A 85 5.705 13.515 -3.224 1.00 0.00 O ATOM 1268 CB GLU A 85 4.593 12.498 -0.649 1.00 0.00 C ATOM 1269 CG GLU A 85 5.439 12.915 0.556 1.00 0.00 C ATOM 1270 CD GLU A 85 5.921 11.690 1.336 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.914 11.082 0.881 1.00 0.00 O ATOM 1272 OE2 GLU A 85 5.286 11.390 2.370 1.00 0.00 O ATOM 0 H GLU A 85 2.178 13.058 -1.008 1.00 0.00 H new ATOM 0 HA GLU A 85 4.603 14.599 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.732 11.922 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.177 11.847 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.297 13.497 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.853 13.560 1.211 1.00 0.00 H new ATOM 1279 N VAL A 86 3.514 13.653 -3.767 1.00 0.00 N ATOM 1280 CA VAL A 86 3.750 13.566 -5.198 1.00 0.00 C ATOM 1281 C VAL A 86 3.355 14.889 -5.858 1.00 0.00 C ATOM 1282 O VAL A 86 4.181 15.536 -6.500 1.00 0.00 O ATOM 1283 CB VAL A 86 3.003 12.363 -5.778 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.161 12.300 -7.299 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.470 11.060 -5.125 1.00 0.00 C ATOM 0 H VAL A 86 2.533 13.739 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 86 4.809 13.405 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 86 1.943 12.489 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.621 11.436 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.758 13.209 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.217 12.210 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.923 10.221 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.537 10.927 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.283 11.103 -4.052 1.00 0.00 H new ATOM 1295 N ALA A 87 2.094 15.250 -5.677 1.00 0.00 N ATOM 1296 CA ALA A 87 1.580 16.485 -6.246 1.00 0.00 C ATOM 1297 C ALA A 87 2.041 17.667 -5.391 1.00 0.00 C ATOM 1298 O ALA A 87 1.220 18.445 -4.907 1.00 0.00 O ATOM 1299 CB ALA A 87 0.056 16.402 -6.354 1.00 0.00 C ATOM 0 H ALA A 87 1.412 14.709 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 87 1.970 16.635 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.329 17.328 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.218 15.565 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.372 16.254 -5.362 1.00 0.00 H new ATOM 1305 N GLY A 88 3.352 17.764 -5.230 1.00 0.00 N ATOM 1306 CA GLY A 88 3.932 18.837 -4.441 1.00 0.00 C ATOM 1307 C GLY A 88 5.046 19.546 -5.215 1.00 0.00 C ATOM 1308 O GLY A 88 5.950 20.128 -4.616 1.00 0.00 O ATOM 0 H GLY A 88 4.030 17.117 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.157 19.555 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.331 18.434 -3.510 1.00 0.00 H new ATOM 1312 N ALA A 89 4.944 19.475 -6.534 1.00 0.00 N ATOM 1313 CA ALA A 89 5.931 20.103 -7.396 1.00 0.00 C ATOM 1314 C ALA A 89 5.267 21.230 -8.189 1.00 0.00 C ATOM 1315 O ALA A 89 5.911 22.223 -8.521 1.00 0.00 O ATOM 1316 CB ALA A 89 6.563 19.045 -8.303 1.00 0.00 C ATOM 0 H ALA A 89 4.193 18.992 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 89 6.732 20.545 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.303 19.516 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.047 18.284 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.789 18.581 -8.915 1.00 0.00 H new ATOM 1322 N ASP A 90 3.986 21.037 -8.470 1.00 0.00 N ATOM 1323 CA ASP A 90 3.227 22.026 -9.217 1.00 0.00 C ATOM 1324 C ASP A 90 1.960 22.384 -8.439 1.00 0.00 C ATOM 1325 O ASP A 90 1.421 21.555 -7.708 1.00 0.00 O ATOM 1326 CB ASP A 90 2.806 21.479 -10.582 1.00 0.00 C ATOM 1327 CG ASP A 90 2.473 22.543 -11.630 1.00 0.00 C ATOM 1328 OD1 ASP A 90 3.116 23.614 -11.575 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.585 22.261 -12.463 1.00 0.00 O ATOM 0 H ASP A 90 3.455 20.211 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 90 3.860 22.902 -9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.608 20.849 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.935 20.838 -10.447 1.00 0.00 H new ATOM 1334 N ALA A 91 1.521 23.621 -8.623 1.00 0.00 N ATOM 1335 CA ALA A 91 0.326 24.099 -7.948 1.00 0.00 C ATOM 1336 C ALA A 91 -0.873 23.969 -8.889 1.00 0.00 C ATOM 1337 O ALA A 91 -1.833 24.731 -8.784 1.00 0.00 O ATOM 1338 CB ALA A 91 0.547 25.539 -7.479 1.00 0.00 C ATOM 0 H ALA A 91 1.971 24.306 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 91 0.117 23.496 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.349 25.898 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.391 25.572 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.756 26.174 -8.340 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.778 22.999 -9.786 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.844 22.760 -10.745 1.00 0.00 C ATOM 1346 C ALA A 92 -2.487 21.402 -10.458 1.00 0.00 C ATOM 1347 O ALA A 92 -3.672 21.328 -10.136 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.282 22.851 -12.165 1.00 0.00 C ATOM 0 H ALA A 92 0.020 22.369 -9.869 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.621 23.519 -10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.081 22.672 -12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.863 23.844 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.501 22.102 -12.296 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.677 20.361 -10.584 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.153 19.010 -10.341 1.00 0.00 C ATOM 1356 C LYS A 93 -2.606 18.887 -8.885 1.00 0.00 C ATOM 1357 O LYS A 93 -3.421 18.026 -8.556 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.088 17.987 -10.742 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.731 16.713 -11.294 1.00 0.00 C ATOM 1360 CD LYS A 93 -0.703 15.585 -11.408 1.00 0.00 C ATOM 1361 CE LYS A 93 0.405 15.951 -12.398 1.00 0.00 C ATOM 1362 NZ LYS A 93 -0.173 16.529 -13.632 1.00 0.00 N ATOM 0 H LYS A 93 -0.695 20.426 -10.851 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.021 18.794 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.427 18.420 -11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.471 17.742 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.547 16.401 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.165 16.915 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.269 15.384 -10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.197 14.669 -11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.089 16.666 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.989 15.064 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.519 16.459 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.035 16.006 -13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.410 17.528 -13.469 1.00 0.00 H new ATOM 1376 N LYS A 94 -2.059 19.760 -8.053 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.397 19.760 -6.639 1.00 0.00 C ATOM 1378 C LYS A 94 -3.910 19.917 -6.482 1.00 0.00 C ATOM 1379 O LYS A 94 -4.459 19.635 -5.418 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.587 20.823 -5.895 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.371 22.132 -5.784 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.230 22.152 -4.518 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.379 23.576 -3.979 1.00 0.00 C ATOM 1384 NZ LYS A 94 -2.610 23.739 -2.725 1.00 0.00 N ATOM 0 H LYS A 94 -1.384 20.473 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.126 18.809 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.334 20.461 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.647 21.001 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.679 22.974 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.007 22.255 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.214 21.737 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.777 21.517 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.028 24.291 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.431 23.794 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.722 24.711 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.963 23.069 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.604 23.551 -2.908 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.542 20.366 -7.556 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.981 20.565 -7.550 1.00 0.00 C ATOM 1400 C LYS A 95 -6.654 19.408 -8.291 1.00 0.00 C ATOM 1401 O LYS A 95 -7.823 19.500 -8.661 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.334 21.943 -8.112 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.773 22.894 -6.996 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.979 24.312 -7.534 1.00 0.00 C ATOM 1405 CE LYS A 95 -5.826 25.228 -7.120 1.00 0.00 C ATOM 1406 NZ LYS A 95 -5.161 25.796 -8.314 1.00 0.00 N ATOM 0 H LYS A 95 -4.083 20.598 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.363 20.556 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.471 22.360 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.133 21.846 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.699 22.533 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.021 22.906 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.054 24.285 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.920 24.714 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.202 26.033 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.104 24.668 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.381 26.415 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.785 25.025 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.849 26.348 -8.865 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.887 18.345 -8.485 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.394 17.171 -9.175 1.00 0.00 C ATOM 1422 C ASP A 96 -6.095 15.925 -8.340 1.00 0.00 C ATOM 1423 O ASP A 96 -6.951 15.054 -8.190 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.721 17.000 -10.538 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.568 18.288 -11.350 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.102 19.318 -10.886 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.920 18.212 -12.416 1.00 0.00 O ATOM 0 H ASP A 96 -4.918 18.272 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.467 17.300 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.733 16.564 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.298 16.285 -11.124 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.878 15.879 -7.819 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.455 14.754 -7.003 1.00 0.00 C ATOM 1434 C LEU A 97 -4.993 14.930 -5.581 1.00 0.00 C ATOM 1435 O LEU A 97 -5.524 13.988 -4.994 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.936 14.584 -7.069 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.315 14.648 -8.465 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.856 14.186 -8.438 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.149 13.856 -9.474 1.00 0.00 C ATOM 0 H LEU A 97 -4.171 16.603 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.873 13.825 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.477 15.357 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.678 13.624 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.317 15.688 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.438 14.241 -9.443 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.283 14.830 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.807 13.157 -8.081 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.685 13.918 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.202 12.813 -9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.155 14.272 -9.520 1.00 0.00 H new ATOM 1451 N THR A 98 -4.837 16.142 -5.069 1.00 0.00 N ATOM 1452 CA THR A 98 -5.300 16.453 -3.728 1.00 0.00 C ATOM 1453 C THR A 98 -6.532 17.358 -3.785 1.00 0.00 C ATOM 1454 O THR A 98 -7.038 17.791 -2.751 1.00 0.00 O ATOM 1455 CB THR A 98 -4.131 17.067 -2.954 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.895 18.310 -3.610 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.827 16.289 -3.149 1.00 0.00 C ATOM 0 H THR A 98 -4.396 16.920 -5.559 1.00 0.00 H new ATOM 0 HA THR A 98 -5.620 15.553 -3.202 1.00 0.00 H new ATOM 0 HB THR A 98 -4.377 17.103 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.378 18.327 -4.462 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.030 16.766 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.959 15.265 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.562 16.282 -4.206 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.979 17.617 -5.005 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.143 18.463 -5.212 1.00 0.00 C ATOM 1467 C GLY A 99 -9.367 17.896 -4.490 1.00 0.00 C ATOM 1468 O GLY A 99 -9.423 16.703 -4.199 1.00 0.00 O ATOM 0 H GLY A 99 -6.556 17.256 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.935 19.469 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.352 18.546 -6.279 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.318 18.780 -4.223 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.538 18.382 -3.542 1.00 0.00 C ATOM 1474 C CYS A 100 -12.652 18.258 -4.583 1.00 0.00 C ATOM 1475 O CYS A 100 -13.447 17.321 -4.539 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.908 19.362 -2.425 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.947 19.163 -0.881 1.00 0.00 S ATOM 0 H CYS A 100 -10.268 19.769 -4.466 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.387 17.418 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.771 20.379 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.967 19.246 -2.195 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.674 19.218 -5.497 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.677 19.228 -6.548 1.00 0.00 C ATOM 1484 C LYS A 101 -12.982 19.185 -7.910 1.00 0.00 C ATOM 1485 O LYS A 101 -12.032 19.929 -8.150 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.622 20.419 -6.376 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.351 20.734 -7.684 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.030 19.484 -8.247 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.524 19.727 -8.471 1.00 0.00 C ATOM 1490 NZ LYS A 101 -17.745 21.040 -9.116 1.00 0.00 N ATOM 0 H LYS A 101 -12.013 19.994 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.306 18.340 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.349 20.201 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.057 21.292 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.096 21.511 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.643 21.128 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.558 19.202 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.892 18.650 -7.559 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.938 18.935 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.051 19.690 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.553 20.975 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.944 21.755 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.893 21.314 -9.646 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.483 18.308 -8.767 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.922 18.158 -10.099 1.00 0.00 C ATOM 1506 C LYS A 102 -11.756 17.168 -10.049 1.00 0.00 C ATOM 1507 O LYS A 102 -11.220 16.782 -11.087 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.544 19.524 -10.677 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.964 19.633 -12.145 1.00 0.00 C ATOM 1510 CD LYS A 102 -14.311 20.346 -12.278 1.00 0.00 C ATOM 1511 CE LYS A 102 -14.769 20.384 -13.737 1.00 0.00 C ATOM 1512 NZ LYS A 102 -15.705 21.510 -13.957 1.00 0.00 N ATOM 0 H LYS A 102 -14.272 17.694 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.664 17.742 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.024 20.313 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.468 19.674 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.204 20.177 -12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.031 18.637 -12.583 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.059 19.835 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.228 21.362 -11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.905 20.488 -14.393 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.255 19.443 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.006 21.522 -14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.538 21.394 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.229 22.406 -13.729 1.00 0.00 H new ATOM 1526 N SER A 103 -11.398 16.786 -8.832 1.00 0.00 N ATOM 1527 CA SER A 103 -10.306 15.848 -8.634 1.00 0.00 C ATOM 1528 C SER A 103 -10.680 14.480 -9.208 1.00 0.00 C ATOM 1529 O SER A 103 -11.859 14.176 -9.379 1.00 0.00 O ATOM 1530 CB SER A 103 -9.951 15.722 -7.151 1.00 0.00 C ATOM 1531 OG SER A 103 -9.033 14.660 -6.910 1.00 0.00 O ATOM 0 H SER A 103 -11.844 17.109 -7.974 1.00 0.00 H new ATOM 0 HA SER A 103 -9.430 16.228 -9.159 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.520 16.660 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.860 15.553 -6.574 1.00 0.00 H new ATOM 0 HG SER A 103 -8.123 14.963 -7.110 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.653 13.691 -9.488 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.859 12.363 -10.039 1.00 0.00 C ATOM 1539 C LYS A 104 -10.680 11.528 -9.054 1.00 0.00 C ATOM 1540 O LYS A 104 -11.587 10.801 -9.456 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.521 11.726 -10.418 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.223 11.919 -11.906 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.690 13.327 -12.181 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.313 13.271 -12.846 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.413 12.672 -14.195 1.00 0.00 N ATOM 0 H LYS A 104 -8.676 13.946 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.432 12.420 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.722 12.169 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.541 10.662 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.492 11.179 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.130 11.750 -12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.387 13.865 -12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.624 13.884 -11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.896 14.276 -12.918 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.629 12.685 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.556 12.897 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.509 11.640 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.245 13.058 -14.685 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.332 11.660 -7.782 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.025 10.928 -6.737 1.00 0.00 C ATOM 1561 C CYS A 105 -12.453 11.467 -6.637 1.00 0.00 C ATOM 1562 O CYS A 105 -13.420 10.720 -6.768 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.287 11.016 -5.399 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.524 10.581 -5.627 1.00 0.00 S ATOM 0 H CYS A 105 -9.579 12.263 -7.452 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.055 9.869 -6.992 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.372 12.024 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.746 10.342 -4.676 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.545 12.777 -6.405 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.823 13.471 -6.279 1.00 0.00 C ATOM 1571 C HIS A 106 -14.072 14.334 -7.529 1.00 0.00 C ATOM 1572 O HIS A 106 -14.113 15.560 -7.436 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.834 14.254 -4.957 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.647 13.452 -3.690 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.512 12.510 -3.300 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.660 13.484 -2.734 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.081 11.977 -2.147 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.941 12.542 -1.752 1.00 0.00 N ATOM 0 H HIS A 106 -11.733 13.386 -6.299 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.656 12.770 -6.234 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.048 15.007 -5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.782 14.787 -4.885 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.361 12.241 -3.798 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.801 14.139 -2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.592 11.192 -1.609 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.231 13.662 -8.659 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.474 14.354 -9.914 1.00 0.00 C ATOM 1588 C GLU A 107 -15.977 14.467 -10.175 1.00 0.00 C ATOM 1589 O GLU A 107 -16.774 14.486 -9.238 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.767 13.650 -11.074 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.996 14.653 -11.935 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.393 14.529 -13.408 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -13.059 13.480 -13.999 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -14.021 15.487 -13.909 1.00 0.00 O ATOM 0 H GLU A 107 -14.196 12.645 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.062 15.360 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.082 12.897 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.500 13.126 -11.688 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.194 15.666 -11.585 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.925 14.482 -11.828 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.293 -4.072 -3.827 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.745 -4.592 -3.498 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.886 -7.404 -4.457 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.993 -3.489 -4.317 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.842 -0.707 -3.057 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.573 -5.650 -3.995 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.933 -5.694 -3.742 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.402 -7.060 -3.767 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.335 -7.842 -4.033 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.194 -6.969 -4.175 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.294 -9.337 -4.164 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.823 -7.484 -3.535 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.436 -8.262 -4.695 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.325 -9.763 -4.469 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.736 -10.427 -5.349 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.830 -10.217 -3.419 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.776 -5.208 -4.285 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.773 -6.572 -4.518 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.439 -7.023 -4.836 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.634 -5.940 -4.798 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.463 -4.807 -4.456 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.063 -8.443 -5.145 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.157 -5.876 -5.055 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.294 -6.662 -6.283 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.177 -2.405 -3.752 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.811 -2.352 -3.963 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.316 -1.018 -3.713 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.376 -0.264 -3.352 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.536 -1.122 -3.375 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.882 -0.595 -3.844 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.391 1.193 -2.988 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.189 1.975 -3.507 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.958 -2.880 -3.400 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.957 -1.539 -3.059 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.289 -1.112 -2.699 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.096 -2.187 -2.820 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.272 -3.290 -3.256 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.660 0.279 -2.275 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.572 -2.268 -2.562 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.965 -1.994 -1.113 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.043 -0.923 -1.031 1.00 0.00 C HETATM 1643 O1D HEC A 108 -11.768 0.110 -0.382 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.121 -1.156 -1.618 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.101 0.548 -1.379 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.421 0.979 -3.075 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.728 0.322 -2.063 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.266 -1.182 -3.163 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.547 -0.758 -4.868 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.791 0.463 -3.596 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.305 -9.077 -4.292 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.617 -8.784 -6.019 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.994 -8.500 -5.348 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.624 -9.793 -3.231 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.953 -9.650 -4.974 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.275 -9.655 -4.383 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.325 -2.913 -0.651 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.088 -1.676 -0.549 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.273 1.551 -3.095 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.159 1.916 -4.595 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.274 3.018 -3.202 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.035 -7.713 -6.157 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.204 -6.269 -7.170 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.373 -6.566 -6.400 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.484 -7.985 -4.809 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -9.932 -7.993 -5.624 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.083 -1.554 -3.208 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.925 -3.260 -2.842 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -9.866 -8.099 -2.636 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.429 -6.598 -3.345 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.991 0.339 -2.790 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.931 -3.312 -4.489 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.734 -8.468 -4.641 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.824 -4.748 -3.494 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.854 -0.706 -1.147 1.00 0.00 H new HETATM 0 H2A HEC A 108 -10.913 -11.191 -3.490 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.450 0.061 8.354 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.716 1.699 10.924 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.574 2.477 6.193 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.899 -1.792 5.899 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.427 -2.344 10.763 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.340 1.711 8.538 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.760 2.277 9.659 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.197 3.567 9.336 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.433 3.785 8.025 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.145 2.633 7.524 1.00 0.00 C HETATM 1687 CMA HEC A 109 -4.049 4.982 7.204 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.490 4.464 10.310 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.362 5.584 10.868 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.707 6.238 12.076 1.00 0.00 C HETATM 1691 O1A HEC A 109 -4.441 6.927 12.817 1.00 0.00 O HETATM 1692 O2A HEC A 109 -2.483 6.037 12.237 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.708 0.304 6.469 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.234 1.355 5.704 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.520 1.127 4.307 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.164 -0.056 4.222 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.284 -0.572 5.565 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.150 2.060 3.191 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.677 -0.743 2.990 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.596 -1.057 1.959 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.475 -1.709 8.368 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.136 -2.229 7.270 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.940 -3.363 7.660 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.769 -3.533 8.988 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.859 -2.505 9.433 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.792 -4.174 6.726 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.388 -4.576 9.873 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.126 -6.009 9.420 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.148 -0.261 10.429 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.616 -1.305 11.208 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.144 -1.168 12.566 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.393 -0.048 12.614 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.392 0.520 11.286 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.457 -2.120 13.683 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.676 0.533 13.798 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.250 0.020 13.973 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.983 -0.372 15.419 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.320 -1.414 15.611 1.00 0.00 O HETATM 1719 O2D HEC A 109 -3.446 0.378 16.306 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.536 -2.161 13.835 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.089 -3.114 13.428 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.974 -1.778 14.599 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.541 -3.530 6.265 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.165 -4.614 5.951 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.289 -4.967 7.284 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.628 3.027 3.351 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.068 2.189 3.169 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.485 1.643 2.242 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.514 5.875 7.623 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.965 5.098 7.215 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.389 4.843 6.178 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.087 -0.840 13.324 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.543 0.790 13.665 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.533 -6.154 8.419 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.052 -6.196 9.406 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.606 -6.702 10.111 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.121 -0.131 1.636 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.848 -1.712 2.405 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.046 -1.553 1.099 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.536 6.333 10.095 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.336 5.184 11.150 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.651 1.618 13.698 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.245 0.309 14.700 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.117 3.861 11.138 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.622 4.904 9.819 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.750 -3.084 11.495 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.216 -2.447 5.088 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.375 3.292 5.497 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.116 2.194 11.687 1.00 0.00 H new HETATM 0 H2D HEC A 109 -3.425 -0.085 17.169 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.128 6.682 12.883 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.149 7.411 -6.292 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.924 8.527 -9.646 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.646 7.561 -6.656 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.539 6.013 -3.240 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.223 7.490 -6.076 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.507 7.929 -7.850 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.205 8.377 -9.125 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.417 8.670 -9.853 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.450 8.403 -9.027 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.889 7.942 -7.779 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.918 8.545 -9.308 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.469 9.177 -11.265 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.682 8.084 -12.309 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.746 8.268 -13.494 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.615 9.429 -13.939 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.177 7.245 -13.932 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.769 6.936 -5.182 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.115 6.996 -5.502 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.905 6.382 -4.460 1.00 0.00 C HETATM 1771 C3B HEC A 110 -6.047 5.952 -3.512 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.716 6.295 -3.957 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.401 6.267 -4.473 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.367 5.248 -2.226 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.344 4.085 -2.382 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.903 6.929 -4.935 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.191 6.366 -3.704 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.971 6.071 -2.990 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.054 6.451 -3.782 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.522 6.985 -4.994 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.904 5.456 -1.623 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.525 6.356 -3.499 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.899 5.240 -2.528 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.671 7.899 -7.603 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.321 7.878 -7.296 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.458 8.319 -8.429 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.412 8.607 -9.420 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.738 8.348 -8.911 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.955 8.422 -8.454 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.105 9.105 -10.802 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.115 10.625 -10.931 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.914 11.260 -10.006 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.501 11.686 -8.905 1.00 0.00 O HETATM 1794 O2D HEC A 110 2.093 11.308 -10.416 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.285 9.120 -7.684 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.390 7.441 -8.265 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.279 8.780 -9.431 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.419 6.099 -0.909 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.383 4.477 -1.641 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.138 5.345 -1.325 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.842 7.263 -4.517 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.714 5.693 -5.345 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.735 5.762 -3.567 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.143 9.584 -9.550 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.190 7.909 -10.150 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.487 8.246 -8.428 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.096 10.907 -11.963 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -1.108 11.007 -10.693 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.398 5.405 -1.574 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.588 4.280 -2.940 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.978 5.237 -2.375 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.285 4.453 -2.790 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.921 3.342 -3.058 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.524 3.628 -1.409 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.513 7.107 -11.857 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.716 8.102 -12.653 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.874 8.732 -11.102 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.833 8.687 -11.498 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.274 9.907 -11.349 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.539 9.701 -11.487 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.302 7.584 -5.949 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.633 5.502 -2.282 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.724 7.720 -6.693 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.833 8.802 -10.697 1.00 0.00 H new HETATM 0 H2D HEC A 110 2.540 12.093 -10.036 1.00 0.00 H new HETATM 0 H2A HEC A 110 -3.801 7.433 -14.817 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.881 12.180 -0.249 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.150 9.838 1.129 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.633 14.672 1.416 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.540 14.409 -1.211 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.418 9.617 -1.992 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.573 12.232 0.992 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.319 11.173 1.479 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.313 11.648 2.413 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.172 12.988 2.495 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.090 13.356 1.612 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.965 13.951 3.329 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.299 10.777 3.135 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.307 10.973 4.649 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.707 10.786 5.217 1.00 0.00 C HETATM 1841 O1A HEC A 111 -18.469 10.007 4.604 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.988 11.425 6.254 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.613 14.116 0.113 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.495 15.012 0.692 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.068 16.368 0.440 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.934 16.299 -0.288 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.646 14.899 -0.494 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.785 17.597 0.919 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.097 17.432 -0.806 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.828 17.687 0.002 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.222 11.986 -1.291 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.384 13.016 -1.681 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.467 12.559 -2.698 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.744 11.258 -2.927 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.835 10.897 -2.053 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.416 13.409 -3.352 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.072 10.326 -3.893 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.549 10.417 -3.887 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.254 10.152 -0.434 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.461 9.266 -1.141 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.867 7.906 -0.874 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.902 7.964 -0.009 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.146 9.360 0.268 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.228 6.686 -1.471 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.679 6.822 0.578 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.658 6.172 -0.394 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.536 5.149 0.313 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.739 5.105 -0.023 1.00 0.00 O HETATM 1869 O2D HEC A 111 -14.987 4.431 1.177 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.314 6.725 -2.557 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.175 6.653 -1.191 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.730 5.793 -1.099 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.891 14.251 -3.856 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.726 13.781 -2.595 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.867 12.813 -4.081 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.795 17.612 0.510 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.835 17.588 2.008 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.246 18.485 0.588 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.016 13.897 3.047 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.859 13.693 4.383 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.597 14.964 3.164 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.284 6.938 -0.851 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.107 5.687 -1.200 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.244 11.429 -4.152 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.174 10.174 -2.893 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.140 9.713 -4.611 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.094 17.929 1.031 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.203 16.794 -0.011 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.279 18.520 -0.436 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.624 10.262 5.115 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.943 11.971 4.892 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.980 6.065 0.933 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.230 7.180 1.447 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.298 10.978 2.747 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.076 9.733 2.915 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.025 8.848 -2.657 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.736 15.110 -1.438 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.211 15.481 1.862 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.844 9.111 1.551 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.000 4.892 2.042 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.959 11.420 6.389 1.00 0.00 H new