USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 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 -135:sc= 0.485 USER MOD Set 1.2: A 111 HEC O2D : rot 99:sc= -0.939! USER MOD Set 2.1: A 21 ASN : amide:sc= -0.0178 X(o=0.36,f=0.19) USER MOD Set 2.2: A 24 THR OG1 : rot -16:sc= 0.375 USER MOD Single : A 1 ALA N :NH3+ -109:sc= -3.41! (180deg=-7.53!) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc=-0.00953 (180deg=-0.245) USER MOD Single : A 10 LYS NZ :NH3+ 144:sc= -0.401 (180deg=-1.73!) USER MOD Single : A 11 MET CE :methyl -142:sc= -5.61! (180deg=-7.9!) USER MOD Single : A 14 THR OG1 : rot -150:sc= -1.45 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.48! C(o=-7.5!,f=-9.2!) USER MOD Single : A 23 SER OG : rot -106:sc= 0.439 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 : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -38:sc= -1.12 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 54 SER OG : rot 156:sc= 0.636 USER MOD Single : A 55 MET CE :methyl 164:sc= -1.43 (180deg=-2.69!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.209) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : +bothHN:sc= -6.13! C(o=-6.1!,f=-16!) USER MOD Single : A 69 MET CE :methyl -157:sc= -4.47! (180deg=-6.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc=-0.00197 K(o=-0.002,f=-0.7) USER MOD Single : A 74 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -167:sc= 1.02 USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.141 (180deg=-0.579) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.0139 (180deg=-0.174) USER MOD Single : A 95 LYS NZ :NH3+ -152:sc= -0.0867 (180deg=-0.567) USER MOD Single : A 98 THR OG1 : rot 5:sc= -1.35! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 34:sc= 0.906 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 40:sc= -0.254 USER MOD Single : A 108 HEC O2D : rot 165:sc= -0.705 USER MOD Single : A 109 HEC O2A : rot 165:sc= -0.0511 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot -61:sc= -6.88! USER MOD Single : A 111 HEC O2A : rot -60:sc= -0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.626 -15.118 -1.304 1.00 0.00 N ATOM 2 CA ALA A 1 -3.306 -14.700 -1.744 1.00 0.00 C ATOM 3 C ALA A 1 -3.166 -14.963 -3.245 1.00 0.00 C ATOM 4 O ALA A 1 -2.242 -15.629 -3.707 1.00 0.00 O ATOM 5 CB ALA A 1 -2.239 -15.427 -0.923 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.199 -14.279 -1.080 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.088 -15.661 -2.061 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.537 -15.713 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.169 -13.631 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.249 -15.113 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.363 -15.184 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.344 -16.503 -1.062 1.00 0.00 H new ATOM 13 N PRO A 2 -4.118 -14.417 -4.005 1.00 0.00 N ATOM 14 CA PRO A 2 -4.181 -14.537 -5.445 1.00 0.00 C ATOM 15 C PRO A 2 -3.287 -13.484 -6.084 1.00 0.00 C ATOM 16 O PRO A 2 -2.418 -12.947 -5.399 1.00 0.00 O ATOM 17 CB PRO A 2 -5.648 -14.295 -5.795 1.00 0.00 C ATOM 18 CG PRO A 2 -5.997 -13.189 -4.732 1.00 0.00 C ATOM 19 CD PRO A 2 -5.219 -13.629 -3.494 1.00 0.00 C ATOM 0 HA PRO A 2 -3.839 -15.507 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.781 -13.947 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.258 -15.191 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.691 -12.198 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.069 -13.143 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.860 -12.770 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.845 -14.215 -2.822 1.00 0.00 H new ATOM 27 N LYS A 3 -3.509 -13.212 -7.362 1.00 0.00 N ATOM 28 CA LYS A 3 -2.710 -12.224 -8.066 1.00 0.00 C ATOM 29 C LYS A 3 -3.577 -11.002 -8.380 1.00 0.00 C ATOM 30 O LYS A 3 -4.798 -11.113 -8.481 1.00 0.00 O ATOM 31 CB LYS A 3 -2.056 -12.846 -9.302 1.00 0.00 C ATOM 32 CG LYS A 3 -0.816 -13.656 -8.916 1.00 0.00 C ATOM 33 CD LYS A 3 -0.424 -14.624 -10.034 1.00 0.00 C ATOM 34 CE LYS A 3 0.091 -13.866 -11.259 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.995 -13.678 -12.247 1.00 0.00 N ATOM 0 H LYS A 3 -4.231 -13.659 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.889 -11.880 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.772 -13.491 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.778 -12.061 -10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.014 -12.981 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.012 -14.213 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.345 -15.308 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.285 -15.231 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.486 -12.897 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.914 -14.416 -11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.584 -13.549 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.612 -14.515 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.553 -12.838 -11.994 1.00 0.00 H new ATOM 49 N ALA A 4 -2.912 -9.866 -8.524 1.00 0.00 N ATOM 50 CA ALA A 4 -3.607 -8.625 -8.823 1.00 0.00 C ATOM 51 C ALA A 4 -4.730 -8.903 -9.824 1.00 0.00 C ATOM 52 O ALA A 4 -4.527 -9.486 -10.887 1.00 0.00 O ATOM 53 CB ALA A 4 -2.605 -7.591 -9.342 1.00 0.00 C ATOM 0 H ALA A 4 -1.899 -9.778 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.063 -8.213 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.126 -6.660 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.845 -7.408 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.129 -7.968 -10.247 1.00 0.00 H new ATOM 59 N PRO A 5 -5.936 -8.466 -9.455 1.00 0.00 N ATOM 60 CA PRO A 5 -7.137 -8.620 -10.248 1.00 0.00 C ATOM 61 C PRO A 5 -7.128 -7.612 -11.389 1.00 0.00 C ATOM 62 O PRO A 5 -6.193 -6.817 -11.471 1.00 0.00 O ATOM 63 CB PRO A 5 -8.284 -8.340 -9.279 1.00 0.00 C ATOM 64 CG PRO A 5 -7.679 -7.370 -8.304 1.00 0.00 C ATOM 65 CD PRO A 5 -6.210 -7.777 -8.213 1.00 0.00 C ATOM 0 HA PRO A 5 -7.225 -9.609 -10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.147 -7.913 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.624 -9.249 -8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -7.784 -6.342 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.167 -7.430 -7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.566 -6.906 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.032 -8.425 -7.355 1.00 0.00 H new ATOM 73 N ALA A 6 -8.147 -7.663 -12.233 1.00 0.00 N ATOM 74 CA ALA A 6 -8.234 -6.747 -13.358 1.00 0.00 C ATOM 75 C ALA A 6 -8.963 -5.475 -12.919 1.00 0.00 C ATOM 76 O ALA A 6 -9.876 -5.531 -12.097 1.00 0.00 O ATOM 77 CB ALA A 6 -8.928 -7.441 -14.531 1.00 0.00 C ATOM 0 H ALA A 6 -8.920 -8.324 -12.161 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.238 -6.458 -13.694 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.993 -6.753 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.355 -8.321 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.931 -7.744 -14.232 1.00 0.00 H new ATOM 83 N ASP A 7 -8.532 -4.358 -13.487 1.00 0.00 N ATOM 84 CA ASP A 7 -9.132 -3.075 -13.164 1.00 0.00 C ATOM 85 C ASP A 7 -10.656 -3.214 -13.167 1.00 0.00 C ATOM 86 O ASP A 7 -11.189 -4.225 -13.621 1.00 0.00 O ATOM 87 CB ASP A 7 -8.753 -2.014 -14.199 1.00 0.00 C ATOM 88 CG ASP A 7 -7.347 -2.156 -14.785 1.00 0.00 C ATOM 89 OD1 ASP A 7 -7.195 -2.995 -15.699 1.00 0.00 O ATOM 90 OD2 ASP A 7 -6.456 -1.422 -14.307 1.00 0.00 O ATOM 0 H ASP A 7 -7.775 -4.315 -14.169 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.767 -2.770 -12.183 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.475 -2.049 -15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.840 -1.030 -13.738 1.00 0.00 H new ATOM 95 N GLY A 8 -11.314 -2.185 -12.654 1.00 0.00 N ATOM 96 CA GLY A 8 -12.765 -2.180 -12.592 1.00 0.00 C ATOM 97 C GLY A 8 -13.251 -2.162 -11.141 1.00 0.00 C ATOM 98 O GLY A 8 -14.387 -2.539 -10.859 1.00 0.00 O ATOM 0 H GLY A 8 -10.868 -1.348 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.152 -1.309 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.157 -3.061 -13.100 1.00 0.00 H new ATOM 102 N LEU A 9 -12.367 -1.719 -10.260 1.00 0.00 N ATOM 103 CA LEU A 9 -12.692 -1.646 -8.845 1.00 0.00 C ATOM 104 C LEU A 9 -12.964 -0.190 -8.463 1.00 0.00 C ATOM 105 O LEU A 9 -12.178 0.698 -8.788 1.00 0.00 O ATOM 106 CB LEU A 9 -11.594 -2.306 -8.009 1.00 0.00 C ATOM 107 CG LEU A 9 -10.798 -1.375 -7.092 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.622 -0.979 -5.865 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.457 -2.002 -6.704 1.00 0.00 C ATOM 0 H LEU A 9 -11.426 -1.407 -10.498 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.603 -2.207 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.049 -3.084 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.897 -2.800 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.578 -0.460 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.033 -0.317 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.527 -0.464 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.893 -1.874 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.911 -1.320 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.633 -2.942 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.870 -2.192 -7.603 1.00 0.00 H new ATOM 121 N LYS A 10 -14.081 0.010 -7.779 1.00 0.00 N ATOM 122 CA LYS A 10 -14.467 1.343 -7.349 1.00 0.00 C ATOM 123 C LYS A 10 -15.044 1.271 -5.934 1.00 0.00 C ATOM 124 O LYS A 10 -15.818 0.368 -5.620 1.00 0.00 O ATOM 125 CB LYS A 10 -15.415 1.981 -8.367 1.00 0.00 C ATOM 126 CG LYS A 10 -15.487 1.146 -9.647 1.00 0.00 C ATOM 127 CD LYS A 10 -16.187 -0.190 -9.392 1.00 0.00 C ATOM 128 CE LYS A 10 -17.351 -0.394 -10.363 1.00 0.00 C ATOM 129 NZ LYS A 10 -16.959 0.007 -11.733 1.00 0.00 N ATOM 0 H LYS A 10 -14.731 -0.729 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.595 1.996 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.411 2.075 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.075 2.989 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.023 1.700 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.481 0.967 -10.026 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.472 -1.006 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.555 -0.222 -8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.658 -1.440 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.211 0.192 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.408 -0.629 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.268 0.984 -11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.925 -0.052 -11.830 1.00 0.00 H new ATOM 143 N MET A 11 -14.645 2.234 -5.117 1.00 0.00 N ATOM 144 CA MET A 11 -15.112 2.291 -3.742 1.00 0.00 C ATOM 145 C MET A 11 -16.138 3.411 -3.558 1.00 0.00 C ATOM 146 O MET A 11 -15.811 4.588 -3.701 1.00 0.00 O ATOM 147 CB MET A 11 -13.924 2.529 -2.808 1.00 0.00 C ATOM 148 CG MET A 11 -12.743 1.630 -3.183 1.00 0.00 C ATOM 149 SD MET A 11 -11.212 2.531 -3.011 1.00 0.00 S ATOM 150 CE MET A 11 -10.975 2.406 -1.247 1.00 0.00 C ATOM 0 H MET A 11 -14.003 2.982 -5.381 1.00 0.00 H new ATOM 0 HA MET A 11 -15.590 1.342 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.620 3.575 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.222 2.334 -1.778 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.729 0.748 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.854 1.278 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.565 3.342 -0.868 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.932 2.207 -0.765 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.283 1.593 -1.030 1.00 0.00 H new ATOM 160 N GLU A 12 -17.360 3.005 -3.243 1.00 0.00 N ATOM 161 CA GLU A 12 -18.436 3.959 -3.038 1.00 0.00 C ATOM 162 C GLU A 12 -19.368 3.477 -1.925 1.00 0.00 C ATOM 163 O GLU A 12 -20.573 3.340 -2.135 1.00 0.00 O ATOM 164 CB GLU A 12 -19.210 4.200 -4.336 1.00 0.00 C ATOM 165 CG GLU A 12 -19.889 2.916 -4.815 1.00 0.00 C ATOM 166 CD GLU A 12 -20.192 2.983 -6.314 1.00 0.00 C ATOM 167 OE1 GLU A 12 -19.223 3.170 -7.081 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.386 2.845 -6.658 1.00 0.00 O ATOM 0 H GLU A 12 -17.628 2.028 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.999 4.910 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.960 4.975 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.531 4.566 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.245 2.061 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.814 2.760 -4.260 1.00 0.00 H new ATOM 175 N ALA A 13 -18.776 3.232 -0.766 1.00 0.00 N ATOM 176 CA ALA A 13 -19.539 2.768 0.381 1.00 0.00 C ATOM 177 C ALA A 13 -20.184 3.967 1.079 1.00 0.00 C ATOM 178 O ALA A 13 -21.250 3.841 1.678 1.00 0.00 O ATOM 179 CB ALA A 13 -18.624 1.973 1.314 1.00 0.00 C ATOM 0 H ALA A 13 -17.777 3.346 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.341 2.101 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.196 1.625 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.215 1.116 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.808 2.611 1.654 1.00 0.00 H new ATOM 185 N THR A 14 -19.510 5.103 0.977 1.00 0.00 N ATOM 186 CA THR A 14 -20.004 6.324 1.591 1.00 0.00 C ATOM 187 C THR A 14 -20.754 7.172 0.562 1.00 0.00 C ATOM 188 O THR A 14 -21.233 6.654 -0.445 1.00 0.00 O ATOM 189 CB THR A 14 -18.815 7.048 2.226 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.218 7.752 1.140 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.722 6.084 2.692 1.00 0.00 C ATOM 0 H THR A 14 -18.626 5.204 0.478 1.00 0.00 H new ATOM 0 HA THR A 14 -20.728 6.108 2.377 1.00 0.00 H new ATOM 0 HB THR A 14 -19.161 7.640 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.255 7.842 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.902 6.650 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.133 5.400 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.351 5.515 1.840 1.00 0.00 H new ATOM 199 N LYS A 15 -20.832 8.463 0.852 1.00 0.00 N ATOM 200 CA LYS A 15 -21.515 9.389 -0.036 1.00 0.00 C ATOM 201 C LYS A 15 -20.513 9.960 -1.040 1.00 0.00 C ATOM 202 O LYS A 15 -20.734 11.031 -1.603 1.00 0.00 O ATOM 203 CB LYS A 15 -22.254 10.458 0.772 1.00 0.00 C ATOM 204 CG LYS A 15 -23.229 9.820 1.764 1.00 0.00 C ATOM 205 CD LYS A 15 -24.439 10.725 2.003 1.00 0.00 C ATOM 206 CE LYS A 15 -24.897 10.654 3.462 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.021 11.587 3.698 1.00 0.00 N ATOM 0 H LYS A 15 -20.434 8.889 1.689 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.281 8.870 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.534 11.075 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.797 11.119 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.562 8.855 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.720 9.631 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.184 11.754 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.256 10.426 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.204 9.637 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.066 10.902 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.320 11.526 4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.716 12.559 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.819 11.333 3.081 1.00 0.00 H new ATOM 221 N GLN A 16 -19.431 9.220 -1.234 1.00 0.00 N ATOM 222 CA GLN A 16 -18.394 9.640 -2.161 1.00 0.00 C ATOM 223 C GLN A 16 -17.714 8.420 -2.785 1.00 0.00 C ATOM 224 O GLN A 16 -16.901 7.738 -2.165 1.00 0.00 O ATOM 225 CB GLN A 16 -17.371 10.542 -1.467 1.00 0.00 C ATOM 226 CG GLN A 16 -17.727 10.741 0.007 1.00 0.00 C ATOM 227 CD GLN A 16 -18.810 11.810 0.171 1.00 0.00 C ATOM 228 OE1 GLN A 16 -19.116 12.565 -0.738 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.372 11.831 1.376 1.00 0.00 N ATOM 0 H GLN A 16 -19.250 8.332 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.860 10.220 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.378 10.101 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.333 11.509 -1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.074 9.799 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.836 11.032 0.564 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.069 11.171 2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.106 12.507 1.584 1.00 0.00 H new ATOM 238 N PRO A 17 -18.070 8.157 -4.044 1.00 0.00 N ATOM 239 CA PRO A 17 -17.552 7.056 -4.826 1.00 0.00 C ATOM 240 C PRO A 17 -16.188 7.428 -5.390 1.00 0.00 C ATOM 241 O PRO A 17 -16.049 8.521 -5.936 1.00 0.00 O ATOM 242 CB PRO A 17 -18.571 6.857 -5.946 1.00 0.00 C ATOM 243 CG PRO A 17 -19.098 8.254 -6.166 1.00 0.00 C ATOM 244 CD PRO A 17 -19.024 8.938 -4.803 1.00 0.00 C ATOM 0 HA PRO A 17 -17.418 6.146 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.109 6.452 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.363 6.166 -5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.500 8.787 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.122 8.233 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.699 9.974 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.999 8.953 -4.315 1.00 0.00 H new ATOM 252 N VAL A 18 -15.222 6.531 -5.249 1.00 0.00 N ATOM 253 CA VAL A 18 -13.883 6.788 -5.751 1.00 0.00 C ATOM 254 C VAL A 18 -13.350 5.529 -6.437 1.00 0.00 C ATOM 255 O VAL A 18 -13.237 4.477 -5.811 1.00 0.00 O ATOM 256 CB VAL A 18 -12.983 7.276 -4.613 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.556 7.516 -5.108 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.557 8.535 -3.961 1.00 0.00 C ATOM 0 H VAL A 18 -15.341 5.626 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.900 7.582 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.947 6.494 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.937 7.862 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.147 6.586 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.566 8.271 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.898 8.860 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.637 9.326 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.545 8.317 -3.556 1.00 0.00 H new ATOM 268 N VAL A 19 -13.035 5.679 -7.716 1.00 0.00 N ATOM 269 CA VAL A 19 -12.516 4.568 -8.494 1.00 0.00 C ATOM 270 C VAL A 19 -10.995 4.512 -8.344 1.00 0.00 C ATOM 271 O VAL A 19 -10.348 5.541 -8.153 1.00 0.00 O ATOM 272 CB VAL A 19 -12.970 4.692 -9.950 1.00 0.00 C ATOM 273 CG1 VAL A 19 -11.912 5.405 -10.795 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.307 3.320 -10.538 1.00 0.00 C ATOM 0 H VAL A 19 -13.130 6.554 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.913 3.623 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.877 5.296 -9.968 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.259 5.480 -11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.741 6.405 -10.396 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.981 4.839 -10.766 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.627 3.437 -11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.425 2.681 -10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.110 2.863 -9.959 1.00 0.00 H new ATOM 284 N PHE A 20 -10.467 3.301 -8.437 1.00 0.00 N ATOM 285 CA PHE A 20 -9.033 3.098 -8.314 1.00 0.00 C ATOM 286 C PHE A 20 -8.597 1.820 -9.033 1.00 0.00 C ATOM 287 O PHE A 20 -8.991 0.720 -8.647 1.00 0.00 O ATOM 288 CB PHE A 20 -8.728 2.958 -6.821 1.00 0.00 C ATOM 289 CG PHE A 20 -7.550 2.032 -6.511 1.00 0.00 C ATOM 290 CD1 PHE A 20 -7.749 0.691 -6.405 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.304 2.550 -6.341 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.656 -0.169 -6.117 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.211 1.690 -6.053 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.410 0.349 -5.947 1.00 0.00 C ATOM 0 H PHE A 20 -11.006 2.450 -8.596 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.499 3.936 -8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.519 3.945 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.616 2.582 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.738 0.280 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.146 3.615 -6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.814 -1.234 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.222 2.101 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.579 -0.305 -5.728 1.00 0.00 H new ATOM 304 N ASN A 21 -7.789 2.007 -10.066 1.00 0.00 N ATOM 305 CA ASN A 21 -7.294 0.883 -10.843 1.00 0.00 C ATOM 306 C ASN A 21 -5.884 0.523 -10.371 1.00 0.00 C ATOM 307 O ASN A 21 -5.026 1.392 -10.229 1.00 0.00 O ATOM 308 CB ASN A 21 -7.220 1.232 -12.331 1.00 0.00 C ATOM 309 CG ASN A 21 -8.219 2.335 -12.686 1.00 0.00 C ATOM 310 OD1 ASN A 21 -7.900 3.512 -12.710 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.442 1.890 -12.960 1.00 0.00 N ATOM 0 H ASN A 21 -7.464 2.920 -10.383 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.980 0.048 -10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.210 1.556 -12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.427 0.343 -12.927 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.180 2.548 -13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.642 0.890 -12.921 1.00 0.00 H new ATOM 318 N HIS A 22 -5.682 -0.774 -10.137 1.00 0.00 N ATOM 319 CA HIS A 22 -4.403 -1.306 -9.682 1.00 0.00 C ATOM 320 C HIS A 22 -3.306 -0.979 -10.712 1.00 0.00 C ATOM 321 O HIS A 22 -2.126 -0.942 -10.368 1.00 0.00 O ATOM 322 CB HIS A 22 -4.564 -2.805 -9.386 1.00 0.00 C ATOM 323 CG HIS A 22 -5.144 -3.173 -8.040 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.445 -3.420 -7.860 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.551 -3.328 -6.810 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.655 -3.718 -6.568 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.518 -3.675 -5.874 1.00 0.00 N ATOM 0 H HIS A 22 -6.404 -1.484 -10.259 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.085 -0.836 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.198 -3.238 -10.160 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.585 -3.276 -9.475 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.161 -3.387 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.499 -3.200 -6.603 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.619 -3.961 -6.146 1.00 0.00 H new ATOM 335 N SER A 23 -3.736 -0.751 -11.944 1.00 0.00 N ATOM 336 CA SER A 23 -2.806 -0.430 -13.014 1.00 0.00 C ATOM 337 C SER A 23 -2.136 0.917 -12.737 1.00 0.00 C ATOM 338 O SER A 23 -0.957 1.102 -13.038 1.00 0.00 O ATOM 339 CB SER A 23 -3.515 -0.401 -14.370 1.00 0.00 C ATOM 340 OG SER A 23 -4.459 0.662 -14.457 1.00 0.00 O ATOM 0 H SER A 23 -4.716 -0.782 -12.226 1.00 0.00 H new ATOM 0 HA SER A 23 -2.043 -1.208 -13.050 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.775 -0.294 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.023 -1.351 -14.534 1.00 0.00 H new ATOM 0 HG SER A 23 -5.367 0.298 -14.403 1.00 0.00 H new ATOM 346 N THR A 24 -2.915 1.824 -12.167 1.00 0.00 N ATOM 347 CA THR A 24 -2.411 3.149 -11.846 1.00 0.00 C ATOM 348 C THR A 24 -1.691 3.133 -10.497 1.00 0.00 C ATOM 349 O THR A 24 -1.178 4.154 -10.044 1.00 0.00 O ATOM 350 CB THR A 24 -3.587 4.127 -11.896 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.501 3.620 -10.927 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.360 4.047 -13.214 1.00 0.00 C ATOM 0 H THR A 24 -3.892 1.668 -11.919 1.00 0.00 H new ATOM 0 HA THR A 24 -1.667 3.476 -12.572 1.00 0.00 H new ATOM 0 HB THR A 24 -3.220 5.143 -11.752 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.259 2.698 -10.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.183 4.761 -13.197 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.692 4.283 -14.042 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.756 3.040 -13.343 1.00 0.00 H new ATOM 360 N HIS A 25 -1.674 1.951 -9.881 1.00 0.00 N ATOM 361 CA HIS A 25 -1.034 1.741 -8.587 1.00 0.00 C ATOM 362 C HIS A 25 -0.437 0.323 -8.525 1.00 0.00 C ATOM 363 O HIS A 25 -0.658 -0.399 -7.553 1.00 0.00 O ATOM 364 CB HIS A 25 -2.048 2.049 -7.475 1.00 0.00 C ATOM 365 CG HIS A 25 -2.607 3.453 -7.435 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.608 3.852 -8.226 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.268 4.541 -6.667 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.882 5.139 -7.961 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.084 5.614 -7.007 1.00 0.00 N ATOM 0 H HIS A 25 -2.105 1.112 -10.268 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.195 2.421 -8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.882 1.354 -7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.573 1.844 -6.515 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.085 3.273 -8.917 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.490 4.560 -5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.650 5.714 -8.457 1.00 0.00 H new ATOM 377 N LYS A 26 0.302 -0.027 -9.567 1.00 0.00 N ATOM 378 CA LYS A 26 0.925 -1.338 -9.636 1.00 0.00 C ATOM 379 C LYS A 26 2.423 -1.201 -9.355 1.00 0.00 C ATOM 380 O LYS A 26 3.157 -2.187 -9.389 1.00 0.00 O ATOM 381 CB LYS A 26 0.610 -2.011 -10.974 1.00 0.00 C ATOM 382 CG LYS A 26 1.031 -1.124 -12.147 1.00 0.00 C ATOM 383 CD LYS A 26 1.925 -1.892 -13.122 1.00 0.00 C ATOM 384 CE LYS A 26 3.393 -1.497 -12.948 1.00 0.00 C ATOM 385 NZ LYS A 26 4.160 -1.796 -14.177 1.00 0.00 N ATOM 0 H LYS A 26 0.484 0.574 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 26 0.515 -1.996 -8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.127 -2.969 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.458 -2.221 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.146 -0.761 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.562 -0.249 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.811 -2.964 -12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.610 -1.691 -14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.465 -0.434 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.823 -2.036 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.154 -1.522 -14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.107 -2.815 -14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.759 -1.262 -14.975 1.00 0.00 H new ATOM 399 N SER A 27 2.831 0.030 -9.082 1.00 0.00 N ATOM 400 CA SER A 27 4.228 0.308 -8.795 1.00 0.00 C ATOM 401 C SER A 27 4.399 0.649 -7.313 1.00 0.00 C ATOM 402 O SER A 27 5.313 1.386 -6.944 1.00 0.00 O ATOM 403 CB SER A 27 4.753 1.451 -9.667 1.00 0.00 C ATOM 404 OG SER A 27 5.996 1.125 -10.282 1.00 0.00 O ATOM 0 H SER A 27 2.219 0.845 -9.054 1.00 0.00 H new ATOM 0 HA SER A 27 4.809 -0.585 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.018 1.687 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.874 2.346 -9.057 1.00 0.00 H new ATOM 0 HG SER A 27 6.297 1.879 -10.831 1.00 0.00 H new ATOM 410 N VAL A 28 3.507 0.097 -6.505 1.00 0.00 N ATOM 411 CA VAL A 28 3.548 0.334 -5.072 1.00 0.00 C ATOM 412 C VAL A 28 3.339 -0.991 -4.334 1.00 0.00 C ATOM 413 O VAL A 28 2.504 -1.801 -4.732 1.00 0.00 O ATOM 414 CB VAL A 28 2.520 1.400 -4.688 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.276 1.408 -3.177 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.955 2.782 -5.180 1.00 0.00 C ATOM 0 H VAL A 28 2.751 -0.514 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 28 4.523 0.721 -4.777 1.00 0.00 H new ATOM 0 HB VAL A 28 1.579 1.150 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.541 2.175 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.902 0.433 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.211 1.622 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.207 3.522 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.914 3.043 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.055 2.767 -6.265 1.00 0.00 H new ATOM 426 N LYS A 29 4.113 -1.169 -3.274 1.00 0.00 N ATOM 427 CA LYS A 29 4.023 -2.381 -2.477 1.00 0.00 C ATOM 428 C LYS A 29 2.580 -2.570 -2.005 1.00 0.00 C ATOM 429 O LYS A 29 1.973 -1.645 -1.468 1.00 0.00 O ATOM 430 CB LYS A 29 5.044 -2.350 -1.338 1.00 0.00 C ATOM 431 CG LYS A 29 5.752 -3.700 -1.200 1.00 0.00 C ATOM 432 CD LYS A 29 6.581 -4.014 -2.447 1.00 0.00 C ATOM 433 CE LYS A 29 6.066 -5.275 -3.144 1.00 0.00 C ATOM 434 NZ LYS A 29 6.758 -5.472 -4.437 1.00 0.00 N ATOM 0 H LYS A 29 4.805 -0.495 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 29 4.278 -3.253 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.779 -1.567 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.543 -2.100 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.399 -3.688 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.015 -4.487 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.541 -3.171 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.626 -4.149 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.226 -6.142 -2.504 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.992 -5.194 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.397 -6.332 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.584 -4.652 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.780 -5.571 -4.272 1.00 0.00 H new ATOM 448 N CYS A 30 2.073 -3.774 -2.222 1.00 0.00 N ATOM 449 CA CYS A 30 0.713 -4.097 -1.824 1.00 0.00 C ATOM 450 C CYS A 30 0.563 -3.790 -0.333 1.00 0.00 C ATOM 451 O CYS A 30 -0.537 -3.505 0.138 1.00 0.00 O ATOM 452 CB CYS A 30 0.359 -5.550 -2.147 1.00 0.00 C ATOM 453 SG CYS A 30 1.084 -6.190 -3.701 1.00 0.00 S ATOM 0 H CYS A 30 2.579 -4.539 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 30 0.010 -3.487 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.689 -6.181 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.726 -5.641 -2.204 1.00 0.00 H new ATOM 458 N GLY A 31 1.685 -3.860 0.369 1.00 0.00 N ATOM 459 CA GLY A 31 1.692 -3.595 1.797 1.00 0.00 C ATOM 460 C GLY A 31 1.508 -2.102 2.078 1.00 0.00 C ATOM 461 O GLY A 31 1.429 -1.689 3.234 1.00 0.00 O ATOM 0 H GLY A 31 2.595 -4.097 -0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.895 -4.161 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.632 -3.937 2.229 1.00 0.00 H new ATOM 465 N ASP A 32 1.443 -1.333 1.001 1.00 0.00 N ATOM 466 CA ASP A 32 1.270 0.105 1.117 1.00 0.00 C ATOM 467 C ASP A 32 -0.216 0.422 1.298 1.00 0.00 C ATOM 468 O ASP A 32 -0.573 1.348 2.024 1.00 0.00 O ATOM 469 CB ASP A 32 1.756 0.822 -0.145 1.00 0.00 C ATOM 470 CG ASP A 32 2.162 2.283 0.058 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.244 3.130 0.078 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.383 2.519 0.189 1.00 0.00 O ATOM 0 H ASP A 32 1.507 -1.679 0.044 1.00 0.00 H new ATOM 0 HA ASP A 32 1.852 0.447 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.609 0.276 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.966 0.781 -0.895 1.00 0.00 H new ATOM 477 N CYS A 33 -1.043 -0.365 0.625 1.00 0.00 N ATOM 478 CA CYS A 33 -2.482 -0.180 0.702 1.00 0.00 C ATOM 479 C CYS A 33 -3.060 -1.279 1.596 1.00 0.00 C ATOM 480 O CYS A 33 -3.904 -1.018 2.451 1.00 0.00 O ATOM 481 CB CYS A 33 -3.127 -0.174 -0.685 1.00 0.00 C ATOM 482 SG CYS A 33 -3.331 1.547 -1.273 1.00 0.00 S ATOM 0 H CYS A 33 -0.743 -1.133 0.024 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.703 0.795 1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.508 -0.735 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.096 -0.671 -0.647 1.00 0.00 H new ATOM 487 N HIS A 34 -2.580 -2.502 1.367 1.00 0.00 N ATOM 488 CA HIS A 34 -3.011 -3.675 2.119 1.00 0.00 C ATOM 489 C HIS A 34 -2.024 -3.949 3.268 1.00 0.00 C ATOM 490 O HIS A 34 -1.191 -4.848 3.175 1.00 0.00 O ATOM 491 CB HIS A 34 -3.191 -4.850 1.147 1.00 0.00 C ATOM 492 CG HIS A 34 -4.111 -4.623 -0.031 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.439 -4.548 0.097 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.845 -4.458 -1.369 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.980 -4.343 -1.113 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.041 -4.279 -2.055 1.00 0.00 N ATOM 0 H HIS A 34 -1.880 -2.705 0.653 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.978 -3.511 2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.209 -5.127 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.566 -5.704 1.711 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.957 -4.633 0.972 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.862 -4.466 -1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.039 -4.243 -1.299 1.00 0.00 H new ATOM 504 N HIS A 35 -2.151 -3.154 4.331 1.00 0.00 N ATOM 505 CA HIS A 35 -1.303 -3.270 5.512 1.00 0.00 C ATOM 506 C HIS A 35 -1.649 -4.560 6.278 1.00 0.00 C ATOM 507 O HIS A 35 -2.758 -5.083 6.195 1.00 0.00 O ATOM 508 CB HIS A 35 -1.434 -1.986 6.346 1.00 0.00 C ATOM 509 CG HIS A 35 -2.710 -1.816 7.137 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.038 -2.618 8.155 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.733 -0.905 7.023 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.219 -2.222 8.656 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.692 -1.168 7.994 1.00 0.00 N ATOM 0 H HIS A 35 -2.847 -2.411 4.395 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.251 -3.361 5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.595 -1.945 7.041 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.334 -1.133 5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.482 -3.402 8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.784 -0.110 6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.720 -2.696 9.487 1.00 0.00 H new ATOM 521 N PRO A 36 -0.666 -5.059 7.030 1.00 0.00 N ATOM 522 CA PRO A 36 -0.780 -6.259 7.831 1.00 0.00 C ATOM 523 C PRO A 36 -1.599 -5.964 9.079 1.00 0.00 C ATOM 524 O PRO A 36 -1.199 -5.104 9.862 1.00 0.00 O ATOM 525 CB PRO A 36 0.657 -6.627 8.193 1.00 0.00 C ATOM 526 CG PRO A 36 1.391 -5.360 8.145 1.00 0.00 C ATOM 527 CD PRO A 36 0.650 -4.470 7.151 1.00 0.00 C ATOM 0 HA PRO A 36 -1.281 -7.073 7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.712 -7.079 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.069 -7.350 7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.428 -4.895 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.422 -5.520 7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.591 -3.442 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.161 -4.443 6.188 1.00 0.00 H new ATOM 535 N VAL A 37 -2.710 -6.667 9.241 1.00 0.00 N ATOM 536 CA VAL A 37 -3.564 -6.462 10.398 1.00 0.00 C ATOM 537 C VAL A 37 -3.653 -7.763 11.198 1.00 0.00 C ATOM 538 O VAL A 37 -3.641 -8.851 10.625 1.00 0.00 O ATOM 539 CB VAL A 37 -4.932 -5.939 9.953 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.575 -5.084 11.047 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.820 -5.160 8.641 1.00 0.00 C ATOM 0 H VAL A 37 -3.039 -7.380 8.590 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.139 -5.704 11.056 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.579 -6.799 9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.546 -4.725 10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.707 -5.684 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.931 -4.233 11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.806 -4.799 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.149 -4.312 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.425 -5.813 7.863 1.00 0.00 H new ATOM 551 N ASN A 38 -3.740 -7.607 12.512 1.00 0.00 N ATOM 552 CA ASN A 38 -3.830 -8.756 13.397 1.00 0.00 C ATOM 553 C ASN A 38 -2.760 -9.778 13.010 1.00 0.00 C ATOM 554 O ASN A 38 -2.910 -10.970 13.274 1.00 0.00 O ATOM 555 CB ASN A 38 -5.196 -9.435 13.280 1.00 0.00 C ATOM 556 CG ASN A 38 -6.124 -8.999 14.415 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.796 -9.799 15.045 1.00 0.00 O ATOM 558 ND2 ASN A 38 -6.124 -7.688 14.641 1.00 0.00 N ATOM 0 H ASN A 38 -3.750 -6.703 12.984 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.687 -8.406 14.419 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.648 -9.187 12.320 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.071 -10.518 13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.711 -7.298 15.379 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.537 -7.073 14.077 1.00 0.00 H new ATOM 565 N GLY A 39 -1.703 -9.274 12.389 1.00 0.00 N ATOM 566 CA GLY A 39 -0.607 -10.129 11.964 1.00 0.00 C ATOM 567 C GLY A 39 -1.054 -11.080 10.852 1.00 0.00 C ATOM 568 O GLY A 39 -0.994 -12.299 11.011 1.00 0.00 O ATOM 0 H GLY A 39 -1.582 -8.285 12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.222 -9.515 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.239 -10.704 12.814 1.00 0.00 H new ATOM 572 N LYS A 40 -1.493 -10.488 9.751 1.00 0.00 N ATOM 573 CA LYS A 40 -1.951 -11.268 8.613 1.00 0.00 C ATOM 574 C LYS A 40 -2.472 -10.323 7.529 1.00 0.00 C ATOM 575 O LYS A 40 -3.581 -9.801 7.637 1.00 0.00 O ATOM 576 CB LYS A 40 -2.972 -12.317 9.058 1.00 0.00 C ATOM 577 CG LYS A 40 -3.814 -12.799 7.875 1.00 0.00 C ATOM 578 CD LYS A 40 -4.984 -13.662 8.350 1.00 0.00 C ATOM 579 CE LYS A 40 -5.364 -14.701 7.293 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.814 -16.028 7.650 1.00 0.00 N ATOM 0 H LYS A 40 -1.541 -9.477 9.622 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.124 -11.828 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.455 -13.164 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.623 -11.895 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.193 -11.941 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.190 -13.372 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.716 -14.165 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.844 -13.028 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.449 -14.761 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.984 -14.393 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.081 -16.722 6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.777 -15.970 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.197 -16.326 8.570 1.00 0.00 H new ATOM 594 N GLU A 41 -1.648 -10.131 6.510 1.00 0.00 N ATOM 595 CA GLU A 41 -2.013 -9.257 5.407 1.00 0.00 C ATOM 596 C GLU A 41 -3.513 -9.356 5.126 1.00 0.00 C ATOM 597 O GLU A 41 -4.031 -10.442 4.870 1.00 0.00 O ATOM 598 CB GLU A 41 -1.197 -9.585 4.155 1.00 0.00 C ATOM 599 CG GLU A 41 0.096 -8.769 4.113 1.00 0.00 C ATOM 600 CD GLU A 41 1.090 -9.368 3.116 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.820 -10.497 2.653 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.098 -8.682 2.839 1.00 0.00 O ATOM 0 H GLU A 41 -0.729 -10.565 6.424 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.784 -8.230 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.960 -10.649 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.791 -9.378 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.128 -7.739 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.544 -8.740 5.106 1.00 0.00 H new ATOM 609 N ASP A 42 -4.170 -8.206 5.182 1.00 0.00 N ATOM 610 CA ASP A 42 -5.601 -8.149 4.936 1.00 0.00 C ATOM 611 C ASP A 42 -5.861 -7.388 3.634 1.00 0.00 C ATOM 612 O ASP A 42 -5.307 -6.320 3.381 1.00 0.00 O ATOM 613 CB ASP A 42 -6.325 -7.414 6.066 1.00 0.00 C ATOM 614 CG ASP A 42 -6.204 -8.067 7.444 1.00 0.00 C ATOM 615 OD1 ASP A 42 -5.091 -7.997 8.010 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.227 -8.623 7.901 1.00 0.00 O ATOM 0 H ASP A 42 -3.737 -7.307 5.394 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.973 -9.172 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.935 -6.398 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.381 -7.335 5.809 1.00 0.00 H new ATOM 621 N TYR A 43 -6.728 -7.970 2.804 1.00 0.00 N ATOM 622 CA TYR A 43 -7.080 -7.377 1.529 1.00 0.00 C ATOM 623 C TYR A 43 -8.589 -7.205 1.439 1.00 0.00 C ATOM 624 O TYR A 43 -9.109 -7.084 0.331 1.00 0.00 O ATOM 625 CB TYR A 43 -6.569 -8.265 0.398 1.00 0.00 C ATOM 626 CG TYR A 43 -5.099 -8.081 0.104 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.153 -8.280 1.116 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.683 -7.711 -1.180 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.790 -8.109 0.844 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.321 -7.540 -1.453 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.374 -7.739 -0.441 1.00 0.00 C ATOM 632 OH TYR A 43 -1.047 -7.572 -0.706 1.00 0.00 O ATOM 0 H TYR A 43 -7.197 -8.855 3.000 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.617 -6.394 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.752 -9.308 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.141 -8.054 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.474 -8.565 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.413 -7.557 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.060 -8.262 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.000 -7.255 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.610 -7.153 0.065 1.00 0.00 H new ATOM 642 N ARG A 44 -9.255 -7.196 2.585 1.00 0.00 N ATOM 643 CA ARG A 44 -10.699 -7.036 2.611 1.00 0.00 C ATOM 644 C ARG A 44 -11.069 -5.552 2.614 1.00 0.00 C ATOM 645 O ARG A 44 -10.203 -4.693 2.773 1.00 0.00 O ATOM 646 CB ARG A 44 -11.305 -7.709 3.844 1.00 0.00 C ATOM 647 CG ARG A 44 -10.388 -8.813 4.373 1.00 0.00 C ATOM 648 CD ARG A 44 -11.159 -9.781 5.274 1.00 0.00 C ATOM 649 NE ARG A 44 -10.212 -10.599 6.064 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.531 -11.221 7.219 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.777 -11.123 7.729 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.605 -11.927 7.842 1.00 0.00 N ATOM 0 H ARG A 44 -8.821 -7.297 3.502 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.102 -7.512 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.472 -6.965 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.278 -8.130 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.950 -9.359 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.563 -8.370 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.816 -9.224 5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.794 -10.428 4.668 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.259 -10.699 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.486 -10.576 7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.009 -11.596 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.666 -11.996 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.829 -12.403 8.716 1.00 0.00 H new ATOM 665 N LYS A 45 -12.357 -5.295 2.436 1.00 0.00 N ATOM 666 CA LYS A 45 -12.852 -3.930 2.416 1.00 0.00 C ATOM 667 C LYS A 45 -12.136 -3.116 3.496 1.00 0.00 C ATOM 668 O LYS A 45 -12.225 -3.437 4.681 1.00 0.00 O ATOM 669 CB LYS A 45 -14.377 -3.911 2.542 1.00 0.00 C ATOM 670 CG LYS A 45 -15.030 -4.723 1.421 1.00 0.00 C ATOM 671 CD LYS A 45 -16.539 -4.476 1.373 1.00 0.00 C ATOM 672 CE LYS A 45 -17.281 -5.716 0.870 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.431 -6.707 1.959 1.00 0.00 N ATOM 0 H LYS A 45 -13.072 -6.010 2.304 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.628 -3.458 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.671 -4.318 3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.736 -2.882 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.583 -4.453 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.836 -5.784 1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.900 -4.210 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.752 -3.630 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.263 -5.431 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.735 -6.161 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.937 -7.542 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.491 -6.992 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.971 -6.284 2.741 1.00 0.00 H new ATOM 687 N CYS A 46 -11.443 -2.080 3.049 1.00 0.00 N ATOM 688 CA CYS A 46 -10.712 -1.218 3.963 1.00 0.00 C ATOM 689 C CYS A 46 -11.580 -0.985 5.201 1.00 0.00 C ATOM 690 O CYS A 46 -11.075 -0.963 6.323 1.00 0.00 O ATOM 691 CB CYS A 46 -10.304 0.097 3.296 1.00 0.00 C ATOM 692 SG CYS A 46 -8.941 -0.048 2.084 1.00 0.00 S ATOM 0 H CYS A 46 -11.372 -1.817 2.066 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.782 -1.703 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.175 0.519 2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.009 0.805 4.071 1.00 0.00 H new ATOM 697 N GLY A 47 -12.871 -0.816 4.956 1.00 0.00 N ATOM 698 CA GLY A 47 -13.814 -0.586 6.037 1.00 0.00 C ATOM 699 C GLY A 47 -14.243 -1.905 6.682 1.00 0.00 C ATOM 700 O GLY A 47 -13.587 -2.395 7.600 1.00 0.00 O ATOM 0 H GLY A 47 -13.286 -0.834 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.360 0.060 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.690 -0.063 5.654 1.00 0.00 H new ATOM 704 N THR A 48 -15.343 -2.444 6.176 1.00 0.00 N ATOM 705 CA THR A 48 -15.867 -3.697 6.690 1.00 0.00 C ATOM 706 C THR A 48 -16.087 -3.603 8.201 1.00 0.00 C ATOM 707 O THR A 48 -15.389 -2.859 8.889 1.00 0.00 O ATOM 708 CB THR A 48 -14.904 -4.815 6.285 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.674 -5.638 5.413 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.553 -5.737 7.454 1.00 0.00 C ATOM 0 H THR A 48 -15.885 -2.035 5.415 1.00 0.00 H new ATOM 0 HA THR A 48 -16.845 -3.921 6.264 1.00 0.00 H new ATOM 0 HB THR A 48 -13.991 -4.378 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.125 -6.388 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.867 -6.512 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.079 -5.157 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.462 -6.200 7.838 1.00 0.00 H new ATOM 718 N ALA A 49 -17.061 -4.367 8.674 1.00 0.00 N ATOM 719 CA ALA A 49 -17.382 -4.379 10.091 1.00 0.00 C ATOM 720 C ALA A 49 -16.264 -5.091 10.857 1.00 0.00 C ATOM 721 O ALA A 49 -15.983 -6.261 10.606 1.00 0.00 O ATOM 722 CB ALA A 49 -18.745 -5.041 10.301 1.00 0.00 C ATOM 0 H ALA A 49 -17.638 -4.982 8.101 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.451 -3.362 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.985 -5.050 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.509 -4.481 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.714 -6.065 9.928 1.00 0.00 H new ATOM 728 N GLY A 50 -15.658 -4.353 11.776 1.00 0.00 N ATOM 729 CA GLY A 50 -14.578 -4.899 12.579 1.00 0.00 C ATOM 730 C GLY A 50 -13.308 -4.057 12.436 1.00 0.00 C ATOM 731 O GLY A 50 -12.386 -4.176 13.241 1.00 0.00 O ATOM 0 H GLY A 50 -15.895 -3.382 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.880 -4.933 13.626 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.375 -5.925 12.272 1.00 0.00 H new ATOM 735 N CYS A 51 -13.302 -3.225 11.406 1.00 0.00 N ATOM 736 CA CYS A 51 -12.161 -2.363 11.146 1.00 0.00 C ATOM 737 C CYS A 51 -12.661 -0.920 11.050 1.00 0.00 C ATOM 738 O CYS A 51 -13.483 -0.483 11.852 1.00 0.00 O ATOM 739 CB CYS A 51 -11.404 -2.790 9.888 1.00 0.00 C ATOM 740 SG CYS A 51 -11.186 -4.607 9.875 1.00 0.00 S ATOM 0 H CYS A 51 -14.069 -3.129 10.741 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.446 -2.445 11.965 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.951 -2.475 9.000 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.432 -2.299 9.854 1.00 0.00 H new ATOM 745 N HIS A 52 -12.139 -0.209 10.050 1.00 0.00 N ATOM 746 CA HIS A 52 -12.495 1.183 9.799 1.00 0.00 C ATOM 747 C HIS A 52 -13.998 1.287 9.481 1.00 0.00 C ATOM 748 O HIS A 52 -14.388 1.231 8.316 1.00 0.00 O ATOM 749 CB HIS A 52 -11.576 1.740 8.701 1.00 0.00 C ATOM 750 CG HIS A 52 -10.091 1.532 8.887 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.357 2.283 9.713 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.225 0.627 8.321 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.083 1.863 9.665 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.946 0.842 8.821 1.00 0.00 N ATOM 0 H HIS A 52 -11.457 -0.585 9.392 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.337 1.801 10.683 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.866 1.288 7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.761 2.811 8.614 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.708 3.050 10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.496 -0.131 7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.275 2.296 10.236 1.00 0.00 H new ATOM 762 N ASP A 53 -14.790 1.436 10.532 1.00 0.00 N ATOM 763 CA ASP A 53 -16.230 1.549 10.373 1.00 0.00 C ATOM 764 C ASP A 53 -16.652 3.003 10.591 1.00 0.00 C ATOM 765 O ASP A 53 -17.754 3.397 10.214 1.00 0.00 O ATOM 766 CB ASP A 53 -16.967 0.685 11.399 1.00 0.00 C ATOM 767 CG ASP A 53 -16.960 1.231 12.828 1.00 0.00 C ATOM 768 OD1 ASP A 53 -17.520 2.332 13.017 1.00 0.00 O ATOM 769 OD2 ASP A 53 -16.395 0.534 13.699 1.00 0.00 O ATOM 0 H ASP A 53 -14.462 1.481 11.497 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.484 1.213 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.001 0.567 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.519 -0.309 11.404 1.00 0.00 H new ATOM 774 N SER A 54 -15.751 3.762 11.198 1.00 0.00 N ATOM 775 CA SER A 54 -16.015 5.164 11.471 1.00 0.00 C ATOM 776 C SER A 54 -16.206 5.926 10.158 1.00 0.00 C ATOM 777 O SER A 54 -15.332 5.908 9.293 1.00 0.00 O ATOM 778 CB SER A 54 -14.882 5.790 12.287 1.00 0.00 C ATOM 779 OG SER A 54 -14.805 7.200 12.100 1.00 0.00 O ATOM 0 H SER A 54 -14.837 3.432 11.508 1.00 0.00 H new ATOM 0 HA SER A 54 -16.930 5.231 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.034 5.572 13.344 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.934 5.334 12.001 1.00 0.00 H new ATOM 0 HG SER A 54 -14.375 7.610 12.879 1.00 0.00 H new ATOM 785 N MET A 55 -17.355 6.577 10.050 1.00 0.00 N ATOM 786 CA MET A 55 -17.672 7.343 8.857 1.00 0.00 C ATOM 787 C MET A 55 -18.385 8.648 9.216 1.00 0.00 C ATOM 788 O MET A 55 -19.535 8.858 8.831 1.00 0.00 O ATOM 789 CB MET A 55 -18.565 6.509 7.937 1.00 0.00 C ATOM 790 CG MET A 55 -17.898 5.179 7.582 1.00 0.00 C ATOM 791 SD MET A 55 -19.080 4.090 6.806 1.00 0.00 S ATOM 792 CE MET A 55 -17.992 3.161 5.738 1.00 0.00 C ATOM 0 H MET A 55 -18.078 6.590 10.769 1.00 0.00 H new ATOM 0 HA MET A 55 -16.740 7.589 8.348 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.521 6.321 8.425 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.777 7.068 7.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.056 5.353 6.911 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.497 4.712 8.482 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.501 2.260 5.395 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.717 3.772 4.879 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.093 2.882 6.288 1.00 0.00 H new ATOM 802 N ASP A 56 -17.675 9.491 9.951 1.00 0.00 N ATOM 803 CA ASP A 56 -18.226 10.769 10.367 1.00 0.00 C ATOM 804 C ASP A 56 -17.226 11.881 10.040 1.00 0.00 C ATOM 805 O ASP A 56 -16.269 11.662 9.300 1.00 0.00 O ATOM 806 CB ASP A 56 -18.484 10.794 11.875 1.00 0.00 C ATOM 807 CG ASP A 56 -19.657 11.670 12.316 1.00 0.00 C ATOM 808 OD1 ASP A 56 -19.697 12.835 11.865 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.489 11.155 13.094 1.00 0.00 O ATOM 0 H ASP A 56 -16.722 9.314 10.269 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.167 10.918 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.664 9.774 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.581 11.142 12.377 1.00 0.00 H new ATOM 814 N LYS A 57 -17.483 13.050 10.609 1.00 0.00 N ATOM 815 CA LYS A 57 -16.618 14.196 10.387 1.00 0.00 C ATOM 816 C LYS A 57 -16.136 14.734 11.736 1.00 0.00 C ATOM 817 O LYS A 57 -16.773 15.608 12.323 1.00 0.00 O ATOM 818 CB LYS A 57 -17.327 15.243 9.525 1.00 0.00 C ATOM 819 CG LYS A 57 -16.361 15.866 8.515 1.00 0.00 C ATOM 820 CD LYS A 57 -14.957 15.999 9.109 1.00 0.00 C ATOM 821 CE LYS A 57 -14.187 17.141 8.443 1.00 0.00 C ATOM 822 NZ LYS A 57 -12.729 16.892 8.511 1.00 0.00 N ATOM 0 H LYS A 57 -18.278 13.228 11.223 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.731 13.902 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.162 14.781 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.745 16.022 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.323 15.251 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.727 16.848 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.027 16.180 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.413 15.064 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.497 17.238 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.424 18.084 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.221 17.676 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.435 16.822 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.505 16.003 8.020 1.00 0.00 H new ATOM 836 N LYS A 58 -15.016 14.190 12.188 1.00 0.00 N ATOM 837 CA LYS A 58 -14.442 14.604 13.457 1.00 0.00 C ATOM 838 C LYS A 58 -13.385 13.585 13.890 1.00 0.00 C ATOM 839 O LYS A 58 -12.188 13.850 13.798 1.00 0.00 O ATOM 840 CB LYS A 58 -15.542 14.829 14.495 1.00 0.00 C ATOM 841 CG LYS A 58 -15.731 16.320 14.780 1.00 0.00 C ATOM 842 CD LYS A 58 -16.992 16.564 15.611 1.00 0.00 C ATOM 843 CE LYS A 58 -16.796 16.097 17.055 1.00 0.00 C ATOM 844 NZ LYS A 58 -18.084 16.108 17.783 1.00 0.00 N ATOM 0 H LYS A 58 -14.490 13.466 11.698 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.936 15.564 13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.478 14.402 14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.288 14.308 15.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.861 16.705 15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.799 16.868 13.840 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.240 17.625 15.599 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.834 16.035 15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.375 15.092 17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.081 16.747 17.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.933 15.788 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.471 17.073 17.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.755 15.470 17.310 1.00 0.00 H new ATOM 858 N ASP A 59 -13.868 12.441 14.353 1.00 0.00 N ATOM 859 CA ASP A 59 -12.980 11.382 14.800 1.00 0.00 C ATOM 860 C ASP A 59 -11.900 11.146 13.743 1.00 0.00 C ATOM 861 O ASP A 59 -12.205 10.992 12.561 1.00 0.00 O ATOM 862 CB ASP A 59 -13.743 10.070 14.997 1.00 0.00 C ATOM 863 CG ASP A 59 -12.886 8.805 14.916 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.117 8.579 15.875 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.020 8.093 13.897 1.00 0.00 O ATOM 0 H ASP A 59 -14.862 12.225 14.428 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.540 11.690 15.748 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.235 10.096 15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.529 10.007 14.244 1.00 0.00 H new ATOM 870 N LYS A 60 -10.658 11.126 14.206 1.00 0.00 N ATOM 871 CA LYS A 60 -9.531 10.912 13.314 1.00 0.00 C ATOM 872 C LYS A 60 -8.762 9.667 13.762 1.00 0.00 C ATOM 873 O LYS A 60 -7.655 9.413 13.288 1.00 0.00 O ATOM 874 CB LYS A 60 -8.667 12.171 13.232 1.00 0.00 C ATOM 875 CG LYS A 60 -9.297 13.209 12.301 1.00 0.00 C ATOM 876 CD LYS A 60 -9.358 14.583 12.972 1.00 0.00 C ATOM 877 CE LYS A 60 -10.472 15.439 12.367 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.906 16.461 11.459 1.00 0.00 N ATOM 0 H LYS A 60 -10.408 11.254 15.186 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.879 10.725 12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.544 12.597 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.672 11.911 12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.718 13.276 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.302 12.891 12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.528 14.462 14.042 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.401 15.091 12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.170 14.805 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.038 15.924 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.676 17.033 11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.258 17.077 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.385 15.992 10.690 1.00 0.00 H new ATOM 892 N SER A 61 -9.379 8.923 14.668 1.00 0.00 N ATOM 893 CA SER A 61 -8.767 7.711 15.184 1.00 0.00 C ATOM 894 C SER A 61 -8.497 6.732 14.040 1.00 0.00 C ATOM 895 O SER A 61 -8.967 6.935 12.922 1.00 0.00 O ATOM 896 CB SER A 61 -9.652 7.056 16.247 1.00 0.00 C ATOM 897 OG SER A 61 -8.940 6.086 17.011 1.00 0.00 O ATOM 0 H SER A 61 -10.297 9.136 15.058 1.00 0.00 H new ATOM 0 HA SER A 61 -7.821 7.979 15.654 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.047 7.823 16.913 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.507 6.582 15.765 1.00 0.00 H new ATOM 0 HG SER A 61 -9.539 5.692 17.679 1.00 0.00 H new ATOM 903 N ALA A 62 -7.742 5.691 14.359 1.00 0.00 N ATOM 904 CA ALA A 62 -7.405 4.680 13.372 1.00 0.00 C ATOM 905 C ALA A 62 -8.692 4.114 12.768 1.00 0.00 C ATOM 906 O ALA A 62 -8.703 3.681 11.617 1.00 0.00 O ATOM 907 CB ALA A 62 -6.541 3.598 14.023 1.00 0.00 C ATOM 0 H ALA A 62 -7.354 5.526 15.288 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.824 5.116 12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.288 2.839 13.282 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.626 4.047 14.410 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.092 3.136 14.842 1.00 0.00 H new ATOM 913 N LYS A 63 -9.744 4.136 13.572 1.00 0.00 N ATOM 914 CA LYS A 63 -11.033 3.629 13.132 1.00 0.00 C ATOM 915 C LYS A 63 -11.554 4.501 11.987 1.00 0.00 C ATOM 916 O LYS A 63 -12.233 4.008 11.087 1.00 0.00 O ATOM 917 CB LYS A 63 -12.000 3.524 14.313 1.00 0.00 C ATOM 918 CG LYS A 63 -11.880 2.162 14.999 1.00 0.00 C ATOM 919 CD LYS A 63 -12.913 1.177 14.447 1.00 0.00 C ATOM 920 CE LYS A 63 -12.487 -0.269 14.708 1.00 0.00 C ATOM 921 NZ LYS A 63 -12.148 -0.459 16.136 1.00 0.00 N ATOM 0 H LYS A 63 -9.731 4.497 14.526 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.931 2.616 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.790 4.317 15.031 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.022 3.671 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.876 1.763 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.021 2.278 16.074 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.882 1.363 14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.036 1.336 13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.291 -0.948 14.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.626 -0.519 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.092 -1.476 16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.230 -0.013 16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.883 -0.022 16.728 1.00 0.00 H new ATOM 935 N GLY A 64 -11.217 5.780 12.059 1.00 0.00 N ATOM 936 CA GLY A 64 -11.642 6.724 11.040 1.00 0.00 C ATOM 937 C GLY A 64 -11.422 6.154 9.637 1.00 0.00 C ATOM 938 O GLY A 64 -10.300 5.899 9.204 1.00 0.00 O ATOM 0 H GLY A 64 -10.654 6.185 12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.697 6.963 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.087 7.656 11.149 1.00 0.00 H new ATOM 942 N TYR A 65 -12.535 5.955 8.928 1.00 0.00 N ATOM 943 CA TYR A 65 -12.497 5.418 7.582 1.00 0.00 C ATOM 944 C TYR A 65 -11.884 6.441 6.636 1.00 0.00 C ATOM 945 O TYR A 65 -11.064 6.094 5.789 1.00 0.00 O ATOM 946 CB TYR A 65 -13.912 5.054 7.141 1.00 0.00 C ATOM 947 CG TYR A 65 -13.956 4.234 5.874 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.872 3.417 5.531 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.080 4.291 5.042 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.913 2.656 4.357 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.121 3.530 3.868 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.037 2.713 3.525 1.00 0.00 C ATOM 953 OH TYR A 65 -14.077 1.971 2.381 1.00 0.00 O ATOM 0 H TYR A 65 -13.473 6.161 9.272 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.881 4.519 7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.402 4.499 7.941 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.484 5.970 6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.004 3.374 6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.916 4.922 5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.077 2.025 4.093 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.989 3.573 3.227 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.416 2.522 1.645 1.00 0.00 H new ATOM 963 N TYR A 66 -12.285 7.706 6.782 1.00 0.00 N ATOM 964 CA TYR A 66 -11.775 8.769 5.940 1.00 0.00 C ATOM 965 C TYR A 66 -10.456 9.283 6.500 1.00 0.00 C ATOM 966 O TYR A 66 -9.866 10.181 5.901 1.00 0.00 O ATOM 967 CB TYR A 66 -12.804 9.893 5.863 1.00 0.00 C ATOM 968 CG TYR A 66 -12.220 11.217 5.431 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.555 12.025 6.361 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.345 11.637 4.102 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.014 13.253 5.960 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.804 12.864 3.701 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.139 13.672 4.630 1.00 0.00 C ATOM 974 OH TYR A 66 -10.612 14.869 4.240 1.00 0.00 O ATOM 0 H TYR A 66 -12.964 8.011 7.480 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.596 8.388 4.935 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.591 9.607 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.273 10.013 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.459 11.702 7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.859 11.014 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.500 13.877 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.900 13.187 2.675 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.786 15.007 3.285 1.00 0.00 H new ATOM 984 N HIS A 67 -10.024 8.717 7.617 1.00 0.00 N ATOM 985 CA HIS A 67 -8.776 9.133 8.234 1.00 0.00 C ATOM 986 C HIS A 67 -7.655 8.180 7.817 1.00 0.00 C ATOM 987 O HIS A 67 -6.480 8.458 8.050 1.00 0.00 O ATOM 988 CB HIS A 67 -8.930 9.240 9.752 1.00 0.00 C ATOM 989 CG HIS A 67 -7.630 9.123 10.511 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.829 10.214 10.799 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.001 8.033 11.038 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.768 9.788 11.469 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.876 8.437 11.616 1.00 0.00 N ATOM 0 H HIS A 67 -10.516 7.973 8.111 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.507 10.130 7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.395 10.196 9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.610 8.460 10.094 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.022 11.181 10.540 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.358 7.015 10.993 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.959 10.403 11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.203 7.836 12.092 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.057 7.074 7.208 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.101 6.078 6.757 1.00 0.00 C ATOM 1003 C VAL A 68 -6.977 6.149 5.234 1.00 0.00 C ATOM 1004 O VAL A 68 -6.439 5.237 4.608 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.512 4.692 7.260 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.355 4.591 8.778 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -8.942 4.356 6.832 1.00 0.00 C ATOM 0 H VAL A 68 -9.033 6.846 7.016 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.114 6.280 7.173 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.846 3.959 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.654 3.596 9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.314 4.766 9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.986 5.338 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.209 3.366 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.628 5.095 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.008 4.367 5.744 1.00 0.00 H new ATOM 1017 N MET A 69 -7.484 7.241 4.681 1.00 0.00 N ATOM 1018 CA MET A 69 -7.438 7.443 3.243 1.00 0.00 C ATOM 1019 C MET A 69 -7.415 8.933 2.899 1.00 0.00 C ATOM 1020 O MET A 69 -7.922 9.348 1.859 1.00 0.00 O ATOM 1021 CB MET A 69 -8.659 6.788 2.595 1.00 0.00 C ATOM 1022 CG MET A 69 -9.712 6.432 3.647 1.00 0.00 C ATOM 1023 SD MET A 69 -10.902 5.293 2.959 1.00 0.00 S ATOM 1024 CE MET A 69 -10.213 3.746 3.523 1.00 0.00 C ATOM 0 H MET A 69 -7.929 7.996 5.203 1.00 0.00 H new ATOM 0 HA MET A 69 -6.525 6.987 2.861 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.091 7.464 1.857 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.353 5.888 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.232 5.987 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.217 7.336 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.559 2.937 2.879 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.125 3.798 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.534 3.557 4.547 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.815 9.711 3.801 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.696 11.156 3.646 1.00 0.00 C ATOM 1036 C HIS A 70 -5.515 11.674 4.487 1.00 0.00 C ATOM 1037 O HIS A 70 -4.475 12.035 3.937 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.046 11.806 3.985 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.200 11.495 3.060 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -9.937 10.386 3.176 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.721 12.191 1.996 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.880 10.391 2.221 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.792 11.483 1.464 1.00 0.00 N ATOM 0 H HIS A 70 -6.398 9.353 4.660 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.468 11.429 2.616 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.327 11.502 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.908 12.887 4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.804 9.656 3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.356 13.139 1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.614 9.611 2.084 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.716 11.693 5.797 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.684 12.157 6.707 1.00 0.00 C ATOM 1053 C ASP A 71 -3.342 11.539 6.307 1.00 0.00 C ATOM 1054 O ASP A 71 -3.301 10.447 5.743 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.988 11.737 8.146 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.942 12.663 8.902 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.471 13.743 9.322 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -7.120 12.271 9.044 1.00 0.00 O ATOM 0 H ASP A 71 -6.580 11.394 6.250 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.648 13.245 6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.414 10.734 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.050 11.678 8.697 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.277 12.265 6.616 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.938 11.801 6.296 1.00 0.00 C ATOM 1065 C LYS A 72 -0.195 11.468 7.591 1.00 0.00 C ATOM 1066 O LYS A 72 0.816 10.769 7.569 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.213 12.823 5.417 1.00 0.00 C ATOM 1068 CG LYS A 72 -0.240 14.213 6.055 1.00 0.00 C ATOM 1069 CD LYS A 72 -1.473 14.999 5.606 1.00 0.00 C ATOM 1070 CE LYS A 72 -1.846 16.068 6.635 1.00 0.00 C ATOM 1071 NZ LYS A 72 -3.230 15.862 7.118 1.00 0.00 N ATOM 0 H LYS A 72 -2.315 13.170 7.084 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.983 10.884 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.820 12.509 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.683 12.861 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.240 14.119 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.663 14.760 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.278 15.469 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.312 14.317 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.152 16.031 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.754 17.058 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.467 16.596 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.890 15.920 6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.307 14.925 7.562 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.726 11.986 8.690 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.126 11.752 9.992 1.00 0.00 C ATOM 1087 C ASN A 73 -0.668 10.444 10.572 1.00 0.00 C ATOM 1088 O ASN A 73 -1.093 10.401 11.725 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.469 12.880 10.967 1.00 0.00 C ATOM 1090 CG ASN A 73 0.533 14.030 10.851 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.231 14.182 9.862 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.565 14.829 11.914 1.00 0.00 N ATOM 0 H ASN A 73 -1.565 12.566 8.705 1.00 0.00 H new ATOM 0 HA ASN A 73 0.955 11.705 9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.475 13.248 10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.470 12.496 11.987 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.201 15.626 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.047 14.645 12.709 1.00 0.00 H new ATOM 1099 N THR A 74 -0.636 9.410 9.745 1.00 0.00 N ATOM 1100 CA THR A 74 -1.119 8.104 10.161 1.00 0.00 C ATOM 1101 C THR A 74 0.022 7.085 10.149 1.00 0.00 C ATOM 1102 O THR A 74 1.080 7.339 9.576 1.00 0.00 O ATOM 1103 CB THR A 74 -2.287 7.719 9.250 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.795 7.962 7.934 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.474 8.674 9.385 1.00 0.00 C ATOM 0 H THR A 74 -0.283 9.450 8.789 1.00 0.00 H new ATOM 0 HA THR A 74 -1.483 8.126 11.188 1.00 0.00 H new ATOM 0 HB THR A 74 -2.609 6.704 9.482 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.212 7.223 7.661 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.275 8.356 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.834 8.664 10.414 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.161 9.684 9.120 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.232 5.953 10.790 1.00 0.00 N ATOM 1114 CA LYS A 75 0.761 4.894 10.860 1.00 0.00 C ATOM 1115 C LYS A 75 1.089 4.413 9.445 1.00 0.00 C ATOM 1116 O LYS A 75 2.248 4.150 9.128 1.00 0.00 O ATOM 1117 CB LYS A 75 0.289 3.778 11.795 1.00 0.00 C ATOM 1118 CG LYS A 75 1.418 2.786 12.078 1.00 0.00 C ATOM 1119 CD LYS A 75 2.286 3.262 13.245 1.00 0.00 C ATOM 1120 CE LYS A 75 3.431 4.149 12.751 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.589 4.058 13.667 1.00 0.00 N ATOM 0 H LYS A 75 -1.111 5.746 11.265 1.00 0.00 H new ATOM 0 HA LYS A 75 1.688 5.270 11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.065 4.209 12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.555 3.255 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.998 1.807 12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.034 2.667 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.673 3.816 13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.692 2.401 13.776 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.729 3.844 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.094 5.183 12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.357 4.666 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.305 4.371 14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.920 3.073 13.711 1.00 0.00 H new ATOM 1135 N PHE A 76 0.048 4.313 8.632 1.00 0.00 N ATOM 1136 CA PHE A 76 0.211 3.869 7.258 1.00 0.00 C ATOM 1137 C PHE A 76 -0.124 4.992 6.275 1.00 0.00 C ATOM 1138 O PHE A 76 -0.798 5.956 6.635 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.766 2.711 7.044 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.621 1.578 8.061 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.609 1.069 8.342 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.722 1.078 8.684 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.744 0.017 9.286 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.587 0.026 9.628 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.357 -0.482 9.909 1.00 0.00 C ATOM 0 H PHE A 76 -0.912 4.532 8.898 1.00 0.00 H new ATOM 0 HA PHE A 76 1.244 3.568 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.785 3.096 7.087 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.620 2.307 6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.483 1.465 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.699 1.481 8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.721 -0.387 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.461 -0.371 10.123 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.255 -1.282 10.627 1.00 0.00 H new ATOM 1155 N LYS A 77 0.363 4.831 5.054 1.00 0.00 N ATOM 1156 CA LYS A 77 0.124 5.819 4.016 1.00 0.00 C ATOM 1157 C LYS A 77 -1.365 5.831 3.662 1.00 0.00 C ATOM 1158 O LYS A 77 -2.072 4.855 3.906 1.00 0.00 O ATOM 1159 CB LYS A 77 1.039 5.569 2.816 1.00 0.00 C ATOM 1160 CG LYS A 77 2.467 5.259 3.270 1.00 0.00 C ATOM 1161 CD LYS A 77 3.492 5.881 2.320 1.00 0.00 C ATOM 1162 CE LYS A 77 4.879 5.928 2.965 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.934 5.836 1.931 1.00 0.00 N ATOM 0 H LYS A 77 0.923 4.030 4.760 1.00 0.00 H new ATOM 0 HA LYS A 77 0.375 6.817 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.653 4.738 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.042 6.445 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.623 5.641 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.613 4.180 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.536 5.303 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.178 6.889 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.993 6.854 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.985 5.108 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.869 5.869 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.833 4.941 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.842 6.633 1.269 1.00 0.00 H new ATOM 1177 N SER A 78 -1.796 6.947 3.093 1.00 0.00 N ATOM 1178 CA SER A 78 -3.187 7.099 2.703 1.00 0.00 C ATOM 1179 C SER A 78 -3.291 7.255 1.184 1.00 0.00 C ATOM 1180 O SER A 78 -2.468 6.719 0.444 1.00 0.00 O ATOM 1181 CB SER A 78 -3.829 8.298 3.404 1.00 0.00 C ATOM 1182 OG SER A 78 -3.568 9.520 2.719 1.00 0.00 O ATOM 0 H SER A 78 -1.206 7.755 2.893 1.00 0.00 H new ATOM 0 HA SER A 78 -3.727 6.202 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.906 8.144 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.451 8.366 4.424 1.00 0.00 H new ATOM 0 HG SER A 78 -3.810 10.276 3.294 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.310 7.991 0.765 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.532 8.224 -0.652 1.00 0.00 C ATOM 1190 C CYS A 79 -4.102 9.656 -0.976 1.00 0.00 C ATOM 1191 O CYS A 79 -3.483 9.903 -2.010 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.986 7.961 -1.047 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.576 6.261 -0.716 1.00 0.00 S ATOM 0 H CYS A 79 -4.991 8.434 1.382 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.934 7.525 -1.237 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.626 8.663 -0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.102 8.170 -2.110 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.448 10.563 -0.074 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.106 11.964 -0.251 1.00 0.00 C ATOM 1200 C VAL A 80 -2.651 12.186 0.166 1.00 0.00 C ATOM 1201 O VAL A 80 -1.975 13.062 -0.370 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.091 12.844 0.520 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.666 14.314 0.473 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.515 12.669 -0.010 1.00 0.00 C ATOM 0 H VAL A 80 -4.962 10.355 0.782 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.190 12.249 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.080 12.524 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.383 14.918 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.678 14.421 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.634 14.651 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.195 13.306 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.548 12.948 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.818 11.628 0.099 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.213 11.377 1.120 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.850 11.474 1.615 1.00 0.00 C ATOM 1216 C GLY A 81 0.160 11.302 0.479 1.00 0.00 C ATOM 1217 O GLY A 81 0.806 12.264 0.066 1.00 0.00 O ATOM 0 H GLY A 81 -2.777 10.652 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.702 12.441 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.680 10.712 2.375 1.00 0.00 H new ATOM 1221 N CYS A 82 0.265 10.069 0.005 1.00 0.00 N ATOM 1222 CA CYS A 82 1.185 9.758 -1.076 1.00 0.00 C ATOM 1223 C CYS A 82 1.074 10.858 -2.133 1.00 0.00 C ATOM 1224 O CYS A 82 2.080 11.389 -2.599 1.00 0.00 O ATOM 1225 CB CYS A 82 0.919 8.372 -1.665 1.00 0.00 C ATOM 1226 SG CYS A 82 2.342 7.841 -2.686 1.00 0.00 S ATOM 0 H CYS A 82 -0.272 9.273 0.350 1.00 0.00 H new ATOM 0 HA CYS A 82 2.204 9.727 -0.691 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.748 7.654 -0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.014 8.393 -2.272 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.172 11.175 -2.487 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.477 12.200 -3.480 1.00 0.00 C ATOM 1233 C HIS A 83 0.158 13.538 -3.058 1.00 0.00 C ATOM 1234 O HIS A 83 0.636 14.290 -3.906 1.00 0.00 O ATOM 1235 CB HIS A 83 -1.998 12.259 -3.683 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.610 11.179 -4.545 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.700 11.385 -5.291 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.245 9.870 -4.755 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.003 10.250 -5.940 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.136 9.282 -5.645 1.00 0.00 N ATOM 0 H HIS A 83 -0.998 10.726 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.042 11.958 -4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.474 12.223 -2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.246 13.226 -4.122 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.217 12.262 -5.356 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.399 9.376 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.840 10.136 -6.613 1.00 0.00 H new ATOM 1248 N VAL A 84 0.141 13.788 -1.757 1.00 0.00 N ATOM 1249 CA VAL A 84 0.708 15.015 -1.224 1.00 0.00 C ATOM 1250 C VAL A 84 2.232 14.964 -1.347 1.00 0.00 C ATOM 1251 O VAL A 84 2.865 15.962 -1.686 1.00 0.00 O ATOM 1252 CB VAL A 84 0.232 15.230 0.214 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.958 16.410 0.862 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.285 15.425 0.266 1.00 0.00 C ATOM 0 H VAL A 84 -0.256 13.162 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 84 0.364 15.875 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 84 0.475 14.333 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.601 16.541 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.030 16.215 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.761 17.317 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.597 15.576 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.560 16.297 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.779 14.541 -0.137 1.00 0.00 H new ATOM 1264 N GLU A 85 2.777 13.790 -1.065 1.00 0.00 N ATOM 1265 CA GLU A 85 4.215 13.595 -1.141 1.00 0.00 C ATOM 1266 C GLU A 85 4.662 13.500 -2.601 1.00 0.00 C ATOM 1267 O GLU A 85 5.857 13.424 -2.884 1.00 0.00 O ATOM 1268 CB GLU A 85 4.642 12.354 -0.355 1.00 0.00 C ATOM 1269 CG GLU A 85 5.435 12.742 0.895 1.00 0.00 C ATOM 1270 CD GLU A 85 6.616 13.646 0.536 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.930 13.717 -0.671 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.179 14.245 1.478 1.00 0.00 O ATOM 0 H GLU A 85 2.249 12.964 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 85 4.703 14.458 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.761 11.780 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.249 11.709 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.781 13.255 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.799 11.843 1.393 1.00 0.00 H new ATOM 1279 N VAL A 86 3.679 13.507 -3.489 1.00 0.00 N ATOM 1280 CA VAL A 86 3.956 13.423 -4.913 1.00 0.00 C ATOM 1281 C VAL A 86 3.754 14.799 -5.550 1.00 0.00 C ATOM 1282 O VAL A 86 4.671 15.344 -6.164 1.00 0.00 O ATOM 1283 CB VAL A 86 3.089 12.336 -5.551 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.257 12.324 -7.072 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.404 10.963 -4.954 1.00 0.00 C ATOM 0 H VAL A 86 2.689 13.570 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 86 4.993 13.135 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 86 2.047 12.566 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.630 11.542 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.961 13.291 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.300 12.130 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.774 10.208 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.452 10.722 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.210 10.979 -3.881 1.00 0.00 H new ATOM 1295 N ALA A 87 2.549 15.323 -5.382 1.00 0.00 N ATOM 1296 CA ALA A 87 2.215 16.625 -5.933 1.00 0.00 C ATOM 1297 C ALA A 87 2.819 17.718 -5.048 1.00 0.00 C ATOM 1298 O ALA A 87 3.237 17.450 -3.923 1.00 0.00 O ATOM 1299 CB ALA A 87 0.696 16.751 -6.060 1.00 0.00 C ATOM 0 H ALA A 87 1.791 14.869 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 87 2.636 16.739 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.445 17.728 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.320 15.970 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.239 16.645 -5.076 1.00 0.00 H new ATOM 1305 N GLY A 88 2.844 18.927 -5.590 1.00 0.00 N ATOM 1306 CA GLY A 88 3.389 20.061 -4.865 1.00 0.00 C ATOM 1307 C GLY A 88 4.106 21.025 -5.812 1.00 0.00 C ATOM 1308 O GLY A 88 4.042 22.240 -5.633 1.00 0.00 O ATOM 0 H GLY A 88 2.495 19.145 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.586 20.585 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.085 19.710 -4.103 1.00 0.00 H new ATOM 1312 N ALA A 89 4.773 20.446 -6.800 1.00 0.00 N ATOM 1313 CA ALA A 89 5.501 21.239 -7.777 1.00 0.00 C ATOM 1314 C ALA A 89 4.509 21.886 -8.744 1.00 0.00 C ATOM 1315 O ALA A 89 4.806 22.916 -9.348 1.00 0.00 O ATOM 1316 CB ALA A 89 6.522 20.353 -8.494 1.00 0.00 C ATOM 0 H ALA A 89 4.825 19.438 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 89 6.053 22.041 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.068 20.947 -9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.221 19.942 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.005 19.538 -9.001 1.00 0.00 H new ATOM 1322 N ASP A 90 3.349 21.256 -8.862 1.00 0.00 N ATOM 1323 CA ASP A 90 2.311 21.758 -9.746 1.00 0.00 C ATOM 1324 C ASP A 90 1.048 22.044 -8.931 1.00 0.00 C ATOM 1325 O ASP A 90 0.641 21.230 -8.104 1.00 0.00 O ATOM 1326 CB ASP A 90 1.957 20.728 -10.821 1.00 0.00 C ATOM 1327 CG ASP A 90 1.184 21.284 -12.019 1.00 0.00 C ATOM 1328 OD1 ASP A 90 0.386 22.219 -11.795 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.409 20.760 -13.131 1.00 0.00 O ATOM 0 H ASP A 90 3.105 20.402 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 90 2.684 22.664 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.878 20.271 -11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.366 19.935 -10.363 1.00 0.00 H new ATOM 1334 N ALA A 91 0.463 23.203 -9.193 1.00 0.00 N ATOM 1335 CA ALA A 91 -0.746 23.607 -8.495 1.00 0.00 C ATOM 1336 C ALA A 91 -1.906 22.711 -8.934 1.00 0.00 C ATOM 1337 O ALA A 91 -2.461 21.968 -8.126 1.00 0.00 O ATOM 1338 CB ALA A 91 -1.019 25.088 -8.761 1.00 0.00 C ATOM 0 H ALA A 91 0.804 23.876 -9.880 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.626 23.487 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.926 25.391 -8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.178 25.683 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.148 25.248 -9.832 1.00 0.00 H new ATOM 1344 N ALA A 92 -2.239 22.812 -10.212 1.00 0.00 N ATOM 1345 CA ALA A 92 -3.323 22.021 -10.768 1.00 0.00 C ATOM 1346 C ALA A 92 -3.227 20.589 -10.238 1.00 0.00 C ATOM 1347 O ALA A 92 -4.211 20.037 -9.747 1.00 0.00 O ATOM 1348 CB ALA A 92 -3.269 22.082 -12.296 1.00 0.00 C ATOM 0 H ALA A 92 -1.777 23.430 -10.879 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.288 22.423 -10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.083 21.488 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.371 23.117 -12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.315 21.684 -12.643 1.00 0.00 H new ATOM 1354 N LYS A 93 -2.033 20.027 -10.356 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.795 18.670 -9.895 1.00 0.00 C ATOM 1356 C LYS A 93 -2.156 18.569 -8.411 1.00 0.00 C ATOM 1357 O LYS A 93 -2.698 17.559 -7.968 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.361 18.240 -10.210 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.271 16.725 -10.399 1.00 0.00 C ATOM 1360 CD LYS A 93 1.184 16.253 -10.370 1.00 0.00 C ATOM 1361 CE LYS A 93 1.993 16.903 -11.494 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.261 16.815 -12.778 1.00 0.00 N ATOM 0 H LYS A 93 -1.220 20.487 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.437 17.969 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.017 18.744 -11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.301 18.549 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.835 16.223 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.729 16.446 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.631 16.499 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.220 15.168 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.189 17.947 -11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.961 16.410 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.932 16.905 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.776 15.897 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.560 17.581 -12.831 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.840 19.632 -7.685 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.124 19.676 -6.261 1.00 0.00 C ATOM 1378 C LYS A 94 -3.616 19.938 -6.050 1.00 0.00 C ATOM 1379 O LYS A 94 -4.087 19.990 -4.915 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.217 20.693 -5.565 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.949 22.017 -5.338 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.426 22.139 -3.890 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.357 23.590 -3.410 1.00 0.00 C ATOM 1384 NZ LYS A 94 -0.951 23.997 -3.189 1.00 0.00 N ATOM 0 H LYS A 94 -1.390 20.469 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.901 18.715 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.881 20.291 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.327 20.865 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.286 22.849 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.802 22.085 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.450 21.774 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.811 21.510 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.820 24.246 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.923 23.701 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.925 24.836 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.432 23.219 -2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.507 24.222 -4.102 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.319 20.097 -7.162 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.748 20.354 -7.114 1.00 0.00 C ATOM 1400 C LYS A 95 -6.489 19.228 -7.839 1.00 0.00 C ATOM 1401 O LYS A 95 -7.714 19.252 -7.942 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.062 21.748 -7.661 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.069 22.474 -6.767 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.949 23.419 -7.587 1.00 0.00 C ATOM 1405 CE LYS A 95 -7.377 24.838 -7.588 1.00 0.00 C ATOM 1406 NZ LYS A 95 -7.458 25.430 -6.234 1.00 0.00 N ATOM 0 H LYS A 95 -3.925 20.053 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.099 20.356 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.144 22.331 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.462 21.664 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.694 21.745 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.539 23.039 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.026 23.053 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.958 23.430 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.339 24.818 -7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.927 25.458 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.531 26.465 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.296 25.059 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.604 25.183 -5.695 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.713 18.269 -8.324 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.280 17.137 -9.037 1.00 0.00 C ATOM 1422 C ASP A 96 -5.985 15.852 -8.261 1.00 0.00 C ATOM 1423 O ASP A 96 -6.773 14.908 -8.294 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.665 16.999 -10.431 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.499 18.313 -11.197 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.444 19.129 -11.135 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.432 18.472 -11.828 1.00 0.00 O ATOM 0 H ASP A 96 -4.697 18.253 -8.237 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.353 17.302 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.688 16.526 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.288 16.328 -11.022 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.848 15.857 -7.581 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.439 14.703 -6.798 1.00 0.00 C ATOM 1434 C LEU A 97 -4.969 14.847 -5.370 1.00 0.00 C ATOM 1435 O LEU A 97 -5.475 13.887 -4.792 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.923 14.513 -6.875 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.316 14.521 -8.279 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.813 14.242 -8.229 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.050 13.544 -9.199 1.00 0.00 C ATOM 0 H LEU A 97 -4.197 16.642 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.872 13.791 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.448 15.301 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.671 13.566 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.444 15.518 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.407 14.253 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.320 15.009 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.639 13.264 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.599 13.569 -10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.976 12.536 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.099 13.830 -9.271 1.00 0.00 H new ATOM 1451 N THR A 98 -4.835 16.055 -4.842 1.00 0.00 N ATOM 1452 CA THR A 98 -5.294 16.338 -3.493 1.00 0.00 C ATOM 1453 C THR A 98 -6.553 17.207 -3.529 1.00 0.00 C ATOM 1454 O THR A 98 -7.084 17.579 -2.484 1.00 0.00 O ATOM 1455 CB THR A 98 -4.137 16.976 -2.723 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.892 18.198 -3.415 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.830 16.194 -2.876 1.00 0.00 C ATOM 0 H THR A 98 -4.415 16.849 -5.325 1.00 0.00 H new ATOM 0 HA THR A 98 -5.583 15.424 -2.974 1.00 0.00 H new ATOM 0 HB THR A 98 -4.398 17.045 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.564 18.316 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.041 16.689 -2.310 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.966 15.181 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.551 16.154 -3.929 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.993 17.505 -4.743 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.179 18.324 -4.929 1.00 0.00 C ATOM 1467 C GLY A 99 -9.370 17.746 -4.162 1.00 0.00 C ATOM 1468 O GLY A 99 -9.380 16.563 -3.825 1.00 0.00 O ATOM 0 H GLY A 99 -6.550 17.194 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.981 19.340 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.420 18.385 -5.990 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.344 18.607 -3.908 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.537 18.197 -3.188 1.00 0.00 C ATOM 1474 C CYS A 100 -12.684 18.068 -4.192 1.00 0.00 C ATOM 1475 O CYS A 100 -13.461 17.115 -4.133 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.876 19.169 -2.056 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.845 18.988 -0.554 1.00 0.00 S ATOM 0 H CYS A 100 -10.331 19.588 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.363 17.232 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.774 20.188 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.922 19.033 -1.780 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.755 19.040 -5.089 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.795 19.047 -6.104 1.00 0.00 C ATOM 1484 C LYS A 101 -13.150 19.155 -7.488 1.00 0.00 C ATOM 1485 O LYS A 101 -12.337 20.046 -7.730 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.818 20.147 -5.815 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.683 20.427 -7.046 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.402 19.160 -7.512 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.761 19.495 -8.129 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.314 18.318 -8.836 1.00 0.00 N ATOM 0 H LYS A 101 -12.109 19.828 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.353 18.111 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.452 19.849 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.302 21.059 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.415 21.200 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.060 20.813 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.786 18.636 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -16.539 18.484 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.452 19.816 -7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.656 20.328 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.237 18.563 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.662 18.030 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.433 17.533 -8.164 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.536 18.234 -8.359 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.006 18.215 -9.711 1.00 0.00 C ATOM 1506 C LYS A 102 -11.755 17.335 -9.751 1.00 0.00 C ATOM 1507 O LYS A 102 -11.060 17.283 -10.765 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.771 19.640 -10.215 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.959 19.723 -11.732 1.00 0.00 C ATOM 1510 CD LYS A 102 -14.406 20.071 -12.087 1.00 0.00 C ATOM 1511 CE LYS A 102 -15.077 18.922 -12.841 1.00 0.00 C ATOM 1512 NZ LYS A 102 -15.123 19.211 -14.292 1.00 0.00 N ATOM 0 H LYS A 102 -14.209 17.496 -8.154 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.729 17.774 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.462 20.323 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.763 19.961 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.288 20.477 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.688 18.771 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.965 20.289 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.427 20.973 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.530 17.996 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -16.088 18.772 -12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.582 18.421 -14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.665 20.084 -14.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.155 19.332 -14.653 1.00 0.00 H new ATOM 1526 N SER A 103 -11.505 16.665 -8.636 1.00 0.00 N ATOM 1527 CA SER A 103 -10.350 15.790 -8.531 1.00 0.00 C ATOM 1528 C SER A 103 -10.682 14.413 -9.111 1.00 0.00 C ATOM 1529 O SER A 103 -11.851 14.055 -9.237 1.00 0.00 O ATOM 1530 CB SER A 103 -9.891 15.657 -7.077 1.00 0.00 C ATOM 1531 OG SER A 103 -8.761 14.798 -6.951 1.00 0.00 O ATOM 0 H SER A 103 -12.083 16.711 -7.797 1.00 0.00 H new ATOM 0 HA SER A 103 -9.533 16.231 -9.103 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.643 16.643 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.711 15.269 -6.472 1.00 0.00 H new ATOM 0 HG SER A 103 -8.189 14.892 -7.741 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.631 13.680 -9.448 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.796 12.351 -10.012 1.00 0.00 C ATOM 1539 C LYS A 104 -10.601 11.486 -9.039 1.00 0.00 C ATOM 1540 O LYS A 104 -11.446 10.696 -9.459 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.437 11.755 -10.385 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.132 11.974 -11.869 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.643 13.402 -12.123 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.252 13.399 -12.760 1.00 0.00 C ATOM 1545 NZ LYS A 104 -5.203 13.384 -11.716 1.00 0.00 N ATOM 0 H LYS A 104 -8.662 13.981 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.363 12.399 -10.942 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.656 12.213 -9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.430 10.688 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.374 11.262 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.027 11.782 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.345 13.920 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.616 13.954 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.143 12.527 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.133 14.280 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.265 13.382 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.298 14.229 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.308 12.531 -11.131 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.309 11.663 -7.759 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.995 10.908 -6.724 1.00 0.00 C ATOM 1561 C CYS A 105 -12.436 11.414 -6.636 1.00 0.00 C ATOM 1562 O CYS A 105 -13.381 10.677 -6.911 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.272 11.007 -5.379 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.507 10.570 -5.584 1.00 0.00 S ATOM 0 H CYS A 105 -9.607 12.318 -7.415 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.998 9.849 -6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.361 12.018 -4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.739 10.339 -4.656 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.566 12.683 -6.246 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.860 13.339 -6.104 1.00 0.00 C ATOM 1571 C HIS A 106 -14.166 14.166 -7.366 1.00 0.00 C ATOM 1572 O HIS A 106 -14.328 15.382 -7.285 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.865 14.151 -4.801 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.700 13.374 -3.515 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.644 12.554 -3.044 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.664 13.321 -2.614 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.213 12.011 -1.895 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.995 12.451 -1.583 1.00 0.00 N ATOM 0 H HIS A 106 -11.773 13.283 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.669 12.613 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.065 14.889 -4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.804 14.702 -4.747 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.545 12.371 -3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.737 13.870 -2.695 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.779 11.309 -1.301 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.237 13.474 -8.494 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.520 14.130 -9.759 1.00 0.00 C ATOM 1588 C GLU A 107 -16.026 14.137 -10.028 1.00 0.00 C ATOM 1589 O GLU A 107 -16.798 13.544 -9.275 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.762 13.460 -10.906 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.003 14.495 -11.740 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.228 14.265 -13.236 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.568 13.351 -13.776 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -14.055 15.009 -13.806 1.00 0.00 O ATOM 0 H GLU A 107 -14.103 12.465 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.177 15.163 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.062 12.727 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.462 12.918 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.332 15.498 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.938 14.438 -11.516 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.229 -4.026 -3.925 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.666 -4.551 -3.629 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.792 -7.372 -4.502 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.904 -3.452 -4.377 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.776 -0.653 -3.203 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.485 -5.613 -4.080 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.850 -5.655 -3.852 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.320 -7.020 -3.878 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.249 -7.804 -4.120 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.104 -6.933 -4.246 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.207 -9.300 -4.242 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.746 -7.441 -3.669 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.339 -8.225 -4.837 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.224 -9.724 -4.604 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.934 -10.432 -5.593 1.00 0.00 O HETATM 1617 O2A HEC A 108 -10.429 -10.136 -3.441 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.686 -5.173 -4.340 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.680 -6.538 -4.564 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.344 -6.990 -4.876 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.541 -5.905 -4.842 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.372 -4.772 -4.509 1.00 0.00 C HETATM 1623 CMB HEC A 108 -1.966 -8.411 -5.175 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.063 -5.842 -5.095 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.392 -6.636 -6.316 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.103 -2.347 -3.887 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.732 -2.296 -4.069 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.239 -0.967 -3.790 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.303 -0.214 -3.440 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.465 -1.068 -3.499 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.801 -0.548 -3.885 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.322 1.237 -3.056 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.122 2.030 -3.567 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.886 -2.829 -3.546 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.886 -1.491 -3.193 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.214 -1.075 -2.806 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.017 -2.154 -2.923 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.195 -3.248 -3.383 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.585 0.310 -2.362 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.489 -2.245 -2.640 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.855 -2.009 -1.177 1.00 0.00 C HETATM 1642 CGD HEC A 108 -11.976 -0.988 -1.051 1.00 0.00 C HETATM 1643 O1D HEC A 108 -11.737 0.037 -0.377 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.052 -1.251 -1.632 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.012 0.573 -1.473 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.363 1.019 -3.159 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.650 0.345 -2.131 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.202 -1.147 -3.199 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.445 -0.698 -4.904 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.711 0.506 -3.621 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.209 -9.040 -4.319 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.518 -8.758 -6.049 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.896 -8.468 -5.375 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.555 -9.751 -3.312 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.852 -9.616 -5.062 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.184 -9.620 -4.440 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.162 -2.949 -0.719 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -9.978 -1.660 -0.631 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.204 1.602 -3.163 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.094 1.986 -4.656 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.210 3.069 -3.248 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.133 -7.687 -6.184 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.103 -6.249 -7.207 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.472 -6.540 -6.431 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.387 -7.953 -4.967 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -9.823 -7.956 -5.759 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.013 -1.515 -3.257 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.846 -3.231 -2.939 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -9.806 -8.051 -2.768 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.354 -6.554 -3.494 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.933 0.399 -2.965 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.836 -3.282 -4.517 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.636 -8.439 -4.663 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.745 -4.706 -3.646 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.759 -0.663 -1.293 1.00 0.00 H new HETATM 0 H2A HEC A 108 -11.178 -9.643 -3.046 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.396 -0.162 8.298 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.661 1.550 10.878 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.434 2.303 6.129 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.828 -1.928 5.833 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.291 -2.544 10.667 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.243 1.549 8.481 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.681 2.120 9.609 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.110 3.407 9.289 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.323 3.619 7.973 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.028 2.465 7.466 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.921 4.809 7.152 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.418 4.308 10.269 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.295 5.438 10.800 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.646 6.119 11.997 1.00 0.00 C HETATM 1691 O1A HEC A 109 -3.609 7.368 11.988 1.00 0.00 O HETATM 1692 O2A HEC A 109 -3.200 5.377 12.899 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.613 0.153 6.404 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.102 1.186 5.637 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.359 0.945 4.237 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.023 -0.228 4.152 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.183 -0.724 5.498 1.00 0.00 C HETATM 1698 CMB HEC A 109 -5.946 1.856 3.119 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.519 -0.921 2.916 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.463 -1.077 1.826 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.391 -1.867 8.285 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.112 -2.340 7.202 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.951 -3.444 7.602 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.744 -3.643 8.921 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.774 -2.664 9.351 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.869 -4.201 6.687 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.378 -4.672 9.811 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.069 -6.113 9.413 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.039 -0.441 10.356 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.516 -1.485 11.129 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.094 -1.327 12.500 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.364 -0.192 12.562 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.327 0.362 11.230 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.428 -2.272 13.617 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.700 0.414 13.764 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.183 0.247 13.785 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.613 0.595 15.153 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.704 -0.278 16.044 1.00 0.00 O HETATM 1719 O2D HEC A 109 -2.097 1.726 15.281 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.510 -2.330 13.733 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.034 -3.262 13.386 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.982 -1.911 14.544 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.604 -3.518 6.262 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.289 -4.655 5.883 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.381 -4.981 7.250 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.410 2.833 3.256 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -4.862 1.966 3.121 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.266 1.432 2.167 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.389 5.706 7.558 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.837 4.921 7.180 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.244 4.666 6.121 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.923 -0.780 13.530 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.733 0.887 13.026 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.431 -6.297 8.401 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.992 -6.277 9.449 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.563 -6.795 10.105 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.106 -0.093 1.522 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.628 -1.663 2.210 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -6.899 -1.587 0.967 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.468 6.170 10.011 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.269 5.042 11.087 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.939 1.477 13.801 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.118 -0.038 14.664 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.065 3.710 11.109 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.538 4.739 9.792 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.541 -3.335 11.373 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.133 -2.591 5.023 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.210 3.109 5.430 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.089 2.060 11.654 1.00 0.00 H new HETATM 0 H2D HEC A 109 -1.987 1.929 16.233 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.606 5.893 13.484 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.039 7.452 -6.214 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.809 8.632 -9.548 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.536 7.576 -6.596 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.427 6.029 -3.181 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.329 7.501 -5.999 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.394 7.985 -7.773 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.090 8.460 -9.037 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.302 8.758 -9.764 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.337 8.466 -8.949 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.777 7.985 -7.708 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.804 8.601 -9.234 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.352 9.292 -11.166 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.541 8.217 -12.233 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.624 8.461 -13.424 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.922 9.407 -14.184 1.00 0.00 O HETATM 1767 O2A HEC A 110 -3.644 7.696 -13.551 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.659 6.958 -5.118 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.003 7.003 -5.445 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.791 6.367 -4.416 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.932 5.937 -3.468 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.604 6.303 -3.900 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.286 6.232 -4.439 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.251 5.213 -2.192 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.227 4.052 -2.365 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.802 6.929 -4.874 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.095 6.359 -3.647 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.879 6.062 -2.929 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.150 6.448 -3.713 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.420 6.989 -4.925 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.817 5.438 -1.565 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.619 6.354 -3.423 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.990 5.238 -2.450 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.561 7.958 -7.517 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.212 7.914 -7.212 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.572 8.363 -8.340 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.295 8.677 -9.325 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.624 8.426 -8.818 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.070 8.447 -8.365 1.00 0.00 C HETATM 1790 CAD HEC A 110 0.016 9.191 -10.700 1.00 0.00 C HETATM 1791 CBD HEC A 110 0.001 10.713 -10.812 1.00 0.00 C HETATM 1792 CGD HEC A 110 1.026 11.341 -9.878 1.00 0.00 C HETATM 1793 O1D HEC A 110 1.725 12.267 -10.342 1.00 0.00 O HETATM 1794 O2D HEC A 110 1.091 10.883 -8.717 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.409 9.128 -7.585 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.493 7.457 -8.192 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.398 8.816 -9.337 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.337 6.075 -0.849 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.294 4.458 -1.591 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.224 5.327 -1.263 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.740 7.222 -4.474 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.587 5.664 -5.319 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.618 5.712 -3.541 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.037 9.642 -9.456 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.067 7.980 -10.090 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.375 8.279 -8.363 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.213 11.007 -11.840 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.993 11.089 -10.571 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.485 5.402 -1.498 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.682 4.278 -2.863 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.069 5.236 -2.293 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.169 4.425 -2.767 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.804 3.320 -3.053 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.406 3.580 -1.399 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.334 7.236 -11.806 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.579 8.208 -12.565 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.998 8.825 -11.000 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.707 8.778 -11.403 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.167 10.011 -11.241 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.429 9.834 -11.371 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.409 7.580 -5.872 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.522 5.538 -2.213 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.616 7.718 -6.639 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.716 8.949 -10.587 1.00 0.00 H new HETATM 0 H2D HEC A 110 0.231 11.012 -8.266 1.00 0.00 H new HETATM 0 H2A HEC A 110 -3.133 7.948 -14.349 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.927 12.018 -0.096 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.144 9.647 1.190 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.593 14.463 1.663 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.537 14.270 -1.026 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.435 9.521 -1.964 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.533 12.037 1.165 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.319 10.973 1.572 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.362 11.431 2.459 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.212 12.766 2.592 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.075 13.148 1.789 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.044 13.712 3.409 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.399 10.550 3.093 1.00 0.00 C HETATM 1839 CBA HEC A 111 -15.998 10.005 4.461 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.217 9.533 5.241 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.015 8.729 6.177 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.327 9.985 4.888 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.599 13.943 0.307 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.458 14.822 0.942 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.013 16.183 0.754 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.888 16.132 0.009 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.627 14.740 -0.271 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.704 17.396 1.304 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.040 17.278 -0.461 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.753 17.466 0.338 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.263 11.883 -1.235 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.434 12.925 -1.610 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.508 12.489 -2.628 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.772 11.188 -2.873 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.864 10.806 -2.009 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.463 13.356 -3.268 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.089 10.274 -3.848 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.565 10.355 -3.811 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.270 10.009 -0.389 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.462 9.143 -1.105 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.833 7.774 -0.837 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.861 7.805 0.037 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.136 9.194 0.319 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.170 6.570 -1.441 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.606 6.645 0.630 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.527 5.931 -0.355 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.483 4.994 0.370 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.629 4.867 -0.113 1.00 0.00 O HETATM 1869 O2D HEC A 111 -15.050 4.422 1.394 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.266 6.608 -2.526 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.114 6.562 -1.170 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.648 5.665 -1.066 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.944 14.199 -3.765 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.780 13.727 -2.504 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.905 12.773 -4.001 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.719 17.447 0.909 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.741 17.332 2.392 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.155 18.291 1.011 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.077 13.679 3.063 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.003 13.420 4.458 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.657 14.725 3.299 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.095 6.666 -0.925 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -13.931 5.365 -1.071 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.249 11.371 -4.047 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.210 10.087 -2.816 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.146 9.665 -4.544 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -8.998 17.655 1.383 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.144 16.565 0.265 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.196 18.313 -0.063 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.300 9.178 4.336 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.478 10.779 5.026 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.886 5.928 1.024 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.198 7.000 1.474 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.326 11.114 3.195 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.607 9.713 2.426 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.045 8.769 -2.650 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.706 14.955 -1.190 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.147 15.256 2.165 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.836 8.907 1.593 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.357 4.902 2.191 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.324 10.961 4.972 1.00 0.00 H new