USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -1.28 X(o=1.2,f=1.1!) USER MOD Set 1.2: A 67 TYR OH : rot -137:sc= 1.4 USER MOD Set 1.3: A 78 THR OG1 : rot 72:sc= 1.08 USER MOD Set 1.4: A 105 HEC O2D : rot 16:sc= -0.027 USER MOD Set 2.1: A 40 THR OG1 : rot 96:sc= 1.36 USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 105 HEC O2A : rot -69:sc= 1.72 USER MOD Set 3.1: A 26 HIS : no HD1:sc= -0.235 X(o=-0.44,f=-0.44) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.205 K(o=-0.44,f=-4.2!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -109:sc= 2.86 (180deg=-1.39) USER MOD Set 4.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 173:sc= -2.48 (180deg=-2.58) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.4!) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 1.27 (180deg=0.761) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -7:sc= 0.843 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0677 (180deg=-0.453) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.541 USER MOD Single : A 49 THR OG1 : rot 173:sc= 0.428 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.16) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.17) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 60:sc= 0.113 USER MOD Single : A 65 MET CE :methyl -164:sc= -0.0169 (180deg=-0.352) USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-2.5) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.884) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -8:sc= -0.334 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0391 (180deg=-0.0391) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0115) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0631) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00693) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 99 LYS NZ :NH3+ -143:sc= 1.24 (180deg=1.09) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 1.02 (180deg=0.847) USER MOD Single : A 102 THR OG1 : rot -93:sc= 0.352 USER MOD Single : A 103 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.789 10.326 4.097 1.00 0.00 N ATOM 2 CA GLY A 1 -10.800 10.621 5.117 1.00 0.00 C ATOM 3 C GLY A 1 -9.818 11.547 4.421 1.00 0.00 C ATOM 4 O GLY A 1 -10.155 12.038 3.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.444 9.599 4.449 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.321 11.190 3.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.312 9.977 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.253 11.100 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.310 9.714 5.472 1.00 0.00 H new ATOM 10 N ASP A 2 -8.668 11.790 5.019 1.00 0.00 N ATOM 11 CA ASP A 2 -7.846 12.957 4.755 1.00 0.00 C ATOM 12 C ASP A 2 -6.380 12.564 4.666 1.00 0.00 C ATOM 13 O ASP A 2 -5.975 11.498 5.115 1.00 0.00 O ATOM 14 CB ASP A 2 -8.062 13.973 5.883 1.00 0.00 C ATOM 15 CG ASP A 2 -9.450 14.592 5.813 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.408 13.896 6.219 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.524 15.744 5.337 1.00 0.00 O ATOM 0 H ASP A 2 -8.268 11.166 5.720 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.131 13.401 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.929 13.482 6.847 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.308 14.758 5.818 1.00 0.00 H new ATOM 22 N VAL A 3 -5.560 13.455 4.111 1.00 0.00 N ATOM 23 CA VAL A 3 -4.124 13.238 4.033 1.00 0.00 C ATOM 24 C VAL A 3 -3.501 13.303 5.430 1.00 0.00 C ATOM 25 O VAL A 3 -2.590 12.543 5.744 1.00 0.00 O ATOM 26 CB VAL A 3 -3.489 14.229 3.039 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.536 15.684 3.528 1.00 0.00 C ATOM 28 CG2 VAL A 3 -2.040 13.838 2.714 1.00 0.00 C ATOM 0 H VAL A 3 -5.872 14.338 3.707 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.923 12.238 3.649 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.092 14.169 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.074 16.333 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.573 15.984 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.995 15.769 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.619 14.556 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.449 13.838 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.022 12.842 2.271 1.00 0.00 H new ATOM 38 N GLU A 4 -4.009 14.210 6.263 1.00 0.00 N ATOM 39 CA GLU A 4 -3.522 14.463 7.607 1.00 0.00 C ATOM 40 C GLU A 4 -3.696 13.195 8.432 1.00 0.00 C ATOM 41 O GLU A 4 -2.743 12.622 8.963 1.00 0.00 O ATOM 42 CB GLU A 4 -4.354 15.606 8.208 1.00 0.00 C ATOM 43 CG GLU A 4 -4.014 16.958 7.569 1.00 0.00 C ATOM 44 CD GLU A 4 -2.901 17.649 8.343 1.00 0.00 C ATOM 45 OE1 GLU A 4 -3.210 18.124 9.457 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.764 17.647 7.829 1.00 0.00 O ATOM 0 H GLU A 4 -4.797 14.805 6.007 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.468 14.742 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.414 15.395 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.177 15.658 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.707 16.810 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.901 17.592 7.552 1.00 0.00 H new ATOM 53 N LYS A 5 -4.954 12.769 8.529 1.00 0.00 N ATOM 54 CA LYS A 5 -5.323 11.604 9.301 1.00 0.00 C ATOM 55 C LYS A 5 -4.775 10.359 8.620 1.00 0.00 C ATOM 56 O LYS A 5 -4.161 9.542 9.301 1.00 0.00 O ATOM 57 CB LYS A 5 -6.833 11.608 9.581 1.00 0.00 C ATOM 58 CG LYS A 5 -7.196 12.707 10.592 1.00 0.00 C ATOM 59 CD LYS A 5 -6.855 12.282 12.033 1.00 0.00 C ATOM 60 CE LYS A 5 -6.392 13.492 12.858 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.055 13.128 14.250 1.00 0.00 N ATOM 0 H LYS A 5 -5.741 13.229 8.071 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.868 11.616 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.380 11.767 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.139 10.636 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.659 13.623 10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.260 12.932 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.729 11.829 12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.072 11.524 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.521 13.941 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.178 14.247 12.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.748 13.977 14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.892 12.723 14.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.287 12.427 14.249 1.00 0.00 H new ATOM 75 N GLY A 6 -4.866 10.267 7.290 1.00 0.00 N ATOM 76 CA GLY A 6 -4.349 9.116 6.572 1.00 0.00 C ATOM 77 C GLY A 6 -2.865 8.925 6.877 1.00 0.00 C ATOM 78 O GLY A 6 -2.485 7.861 7.360 1.00 0.00 O ATOM 0 H GLY A 6 -5.293 10.978 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.904 8.222 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.492 9.253 5.500 1.00 0.00 H new ATOM 82 N LYS A 7 -2.023 9.942 6.640 1.00 0.00 N ATOM 83 CA LYS A 7 -0.579 9.795 6.798 1.00 0.00 C ATOM 84 C LYS A 7 -0.182 9.478 8.234 1.00 0.00 C ATOM 85 O LYS A 7 0.748 8.705 8.456 1.00 0.00 O ATOM 86 CB LYS A 7 0.238 10.880 6.067 1.00 0.00 C ATOM 87 CG LYS A 7 0.495 12.149 6.857 1.00 0.00 C ATOM 88 CD LYS A 7 0.966 13.336 5.977 1.00 0.00 C ATOM 89 CE LYS A 7 2.466 13.394 5.593 1.00 0.00 C ATOM 90 NZ LYS A 7 2.882 12.514 4.476 1.00 0.00 N ATOM 0 H LYS A 7 -2.321 10.870 6.339 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.280 8.898 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.198 10.453 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.284 11.145 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.418 12.434 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.249 11.948 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.384 13.323 5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.717 14.260 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.715 14.423 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.057 13.137 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.460 11.733 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.039 12.128 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.440 13.063 3.791 1.00 0.00 H new ATOM 104 N LYS A 8 -0.924 10.002 9.211 1.00 0.00 N ATOM 105 CA LYS A 8 -0.645 9.721 10.607 1.00 0.00 C ATOM 106 C LYS A 8 -0.984 8.270 10.929 1.00 0.00 C ATOM 107 O LYS A 8 -0.155 7.524 11.447 1.00 0.00 O ATOM 108 CB LYS A 8 -1.445 10.681 11.503 1.00 0.00 C ATOM 109 CG LYS A 8 -0.894 12.115 11.485 1.00 0.00 C ATOM 110 CD LYS A 8 0.106 12.395 12.619 1.00 0.00 C ATOM 111 CE LYS A 8 1.372 11.526 12.535 1.00 0.00 C ATOM 112 NZ LYS A 8 2.407 11.919 13.514 1.00 0.00 N ATOM 0 H LYS A 8 -1.719 10.621 9.055 1.00 0.00 H new ATOM 0 HA LYS A 8 0.417 9.873 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.485 10.693 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.436 10.307 12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.407 12.298 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.724 12.817 11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.392 13.447 12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.383 12.222 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.102 10.483 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.787 11.594 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.236 11.299 13.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.689 12.905 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.026 11.829 14.477 1.00 0.00 H new ATOM 126 N ILE A 9 -2.224 7.880 10.647 1.00 0.00 N ATOM 127 CA ILE A 9 -2.759 6.594 11.050 1.00 0.00 C ATOM 128 C ILE A 9 -1.985 5.501 10.316 1.00 0.00 C ATOM 129 O ILE A 9 -1.605 4.499 10.918 1.00 0.00 O ATOM 130 CB ILE A 9 -4.276 6.621 10.794 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.938 7.404 11.944 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.885 5.222 10.691 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.346 7.890 11.603 1.00 0.00 C ATOM 0 H ILE A 9 -2.887 8.456 10.128 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.633 6.377 12.111 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.456 7.103 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.983 6.770 12.829 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.315 8.262 12.198 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.957 5.304 10.510 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.418 4.682 9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.715 4.682 11.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.759 8.434 12.452 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.303 8.549 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.982 7.034 11.377 1.00 0.00 H new ATOM 145 N PHE A 10 -1.703 5.745 9.036 1.00 0.00 N ATOM 146 CA PHE A 10 -0.742 4.994 8.255 1.00 0.00 C ATOM 147 C PHE A 10 0.572 4.874 9.011 1.00 0.00 C ATOM 148 O PHE A 10 0.918 3.779 9.431 1.00 0.00 O ATOM 149 CB PHE A 10 -0.546 5.722 6.916 1.00 0.00 C ATOM 150 CG PHE A 10 0.605 5.244 6.064 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.421 4.183 5.180 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.886 5.788 6.225 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.524 3.612 4.533 1.00 0.00 C ATOM 154 CE2 PHE A 10 2.996 5.218 5.599 1.00 0.00 C ATOM 155 CZ PHE A 10 2.811 4.132 4.731 1.00 0.00 C ATOM 0 H PHE A 10 -2.153 6.492 8.507 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.105 3.983 8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.464 5.628 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.405 6.783 7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.572 3.801 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.017 6.663 6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.382 2.766 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.986 5.609 5.781 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.656 3.698 4.217 1.00 0.00 H new ATOM 165 N VAL A 11 1.317 5.966 9.194 1.00 0.00 N ATOM 166 CA VAL A 11 2.649 5.901 9.761 1.00 0.00 C ATOM 167 C VAL A 11 2.642 5.129 11.086 1.00 0.00 C ATOM 168 O VAL A 11 3.554 4.343 11.338 1.00 0.00 O ATOM 169 CB VAL A 11 3.266 7.315 9.861 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.263 7.430 11.013 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.960 7.777 8.569 1.00 0.00 C ATOM 0 H VAL A 11 1.010 6.908 8.953 1.00 0.00 H new ATOM 0 HA VAL A 11 3.300 5.335 9.094 1.00 0.00 H new ATOM 0 HB VAL A 11 2.412 7.968 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.670 8.441 11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.758 7.214 11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.074 6.717 10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.369 8.777 8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.767 7.087 8.323 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.237 7.795 7.754 1.00 0.00 H new ATOM 181 N GLN A 12 1.612 5.309 11.919 1.00 0.00 N ATOM 182 CA GLN A 12 1.497 4.593 13.171 1.00 0.00 C ATOM 183 C GLN A 12 1.559 3.062 13.008 1.00 0.00 C ATOM 184 O GLN A 12 2.047 2.403 13.924 1.00 0.00 O ATOM 185 CB GLN A 12 0.224 5.048 13.901 1.00 0.00 C ATOM 186 CG GLN A 12 0.472 6.128 14.969 1.00 0.00 C ATOM 187 CD GLN A 12 0.363 7.556 14.439 1.00 0.00 C ATOM 188 OE1 GLN A 12 1.358 8.223 14.167 1.00 0.00 O ATOM 189 NE2 GLN A 12 -0.863 8.066 14.346 1.00 0.00 N ATOM 0 H GLN A 12 0.844 5.954 11.736 1.00 0.00 H new ATOM 0 HA GLN A 12 2.367 4.841 13.779 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.486 5.431 13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.241 4.183 14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.245 5.996 15.779 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.465 5.983 15.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.673 7.491 14.578 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.992 9.031 14.043 1.00 0.00 H new ATOM 198 N LYS A 13 1.046 2.479 11.911 1.00 0.00 N ATOM 199 CA LYS A 13 0.992 1.016 11.760 1.00 0.00 C ATOM 200 C LYS A 13 1.388 0.410 10.401 1.00 0.00 C ATOM 201 O LYS A 13 1.393 -0.813 10.273 1.00 0.00 O ATOM 202 CB LYS A 13 -0.375 0.498 12.205 1.00 0.00 C ATOM 203 CG LYS A 13 -1.557 1.258 11.609 1.00 0.00 C ATOM 204 CD LYS A 13 -2.297 2.024 12.710 1.00 0.00 C ATOM 205 CE LYS A 13 -3.034 1.044 13.648 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.231 1.629 14.284 1.00 0.00 N ATOM 0 H LYS A 13 0.664 2.997 11.119 1.00 0.00 H new ATOM 0 HA LYS A 13 1.793 0.667 12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.459 -0.554 11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.435 0.551 13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.206 1.952 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.238 0.562 11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.589 2.623 13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.011 2.716 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.328 0.161 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.346 0.709 14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.570 0.994 15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.989 2.553 14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.978 1.752 13.571 1.00 0.00 H new ATOM 220 N CYS A 14 1.725 1.217 9.399 1.00 0.00 N ATOM 221 CA CYS A 14 2.093 0.751 8.062 1.00 0.00 C ATOM 222 C CYS A 14 3.602 0.968 7.881 1.00 0.00 C ATOM 223 O CYS A 14 4.312 0.097 7.385 1.00 0.00 O ATOM 224 CB CYS A 14 1.334 1.505 6.993 1.00 0.00 C ATOM 225 SG CYS A 14 -0.495 1.491 7.068 1.00 0.00 S ATOM 0 H CYS A 14 1.751 2.232 9.493 1.00 0.00 H new ATOM 0 HA CYS A 14 1.840 -0.305 7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.662 2.544 7.021 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.632 1.102 6.025 1.00 0.00 H new ATOM 230 N ALA A 15 4.102 2.139 8.294 1.00 0.00 N ATOM 231 CA ALA A 15 5.471 2.597 8.061 1.00 0.00 C ATOM 232 C ALA A 15 6.563 1.638 8.508 1.00 0.00 C ATOM 233 O ALA A 15 7.625 1.621 7.885 1.00 0.00 O ATOM 234 CB ALA A 15 5.699 3.944 8.717 1.00 0.00 C ATOM 0 H ALA A 15 3.544 2.814 8.817 1.00 0.00 H new ATOM 0 HA ALA A 15 5.554 2.664 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.723 4.269 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.006 4.674 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.532 3.859 9.791 1.00 0.00 H new ATOM 240 N GLN A 16 6.316 0.860 9.566 1.00 0.00 N ATOM 241 CA GLN A 16 7.224 -0.201 9.994 1.00 0.00 C ATOM 242 C GLN A 16 7.690 -1.030 8.792 1.00 0.00 C ATOM 243 O GLN A 16 8.862 -1.400 8.712 1.00 0.00 O ATOM 244 CB GLN A 16 6.548 -1.107 11.040 1.00 0.00 C ATOM 245 CG GLN A 16 7.257 -1.018 12.397 1.00 0.00 C ATOM 246 CD GLN A 16 6.830 -2.146 13.331 1.00 0.00 C ATOM 247 OE1 GLN A 16 7.648 -2.960 13.743 1.00 0.00 O ATOM 248 NE2 GLN A 16 5.545 -2.217 13.666 1.00 0.00 N ATOM 0 H GLN A 16 5.482 0.950 10.147 1.00 0.00 H new ATOM 0 HA GLN A 16 8.097 0.264 10.453 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.503 -0.818 11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.557 -2.139 10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.336 -1.058 12.247 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.035 -0.057 12.861 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.886 -1.526 13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.219 -2.963 14.281 1.00 0.00 H new ATOM 257 N CYS A 17 6.759 -1.316 7.878 1.00 0.00 N ATOM 258 CA CYS A 17 7.009 -2.029 6.640 1.00 0.00 C ATOM 259 C CYS A 17 7.183 -1.040 5.471 1.00 0.00 C ATOM 260 O CYS A 17 7.927 -1.331 4.535 1.00 0.00 O ATOM 261 CB CYS A 17 5.889 -3.014 6.402 1.00 0.00 C ATOM 262 SG CYS A 17 5.729 -4.233 7.758 1.00 0.00 S ATOM 0 H CYS A 17 5.782 -1.045 7.991 1.00 0.00 H new ATOM 0 HA CYS A 17 7.941 -2.589 6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.950 -2.472 6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.065 -3.540 5.464 1.00 0.00 H new ATOM 267 N HIS A 18 6.521 0.130 5.509 1.00 0.00 N ATOM 268 CA HIS A 18 6.409 1.047 4.374 1.00 0.00 C ATOM 269 C HIS A 18 6.789 2.483 4.726 1.00 0.00 C ATOM 270 O HIS A 18 5.921 3.351 4.777 1.00 0.00 O ATOM 271 CB HIS A 18 4.956 1.053 3.900 1.00 0.00 C ATOM 272 CG HIS A 18 4.521 -0.250 3.324 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.797 -0.665 2.049 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.539 -1.050 3.834 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.983 -1.691 1.789 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.221 -1.990 2.843 1.00 0.00 N ATOM 0 H HIS A 18 6.043 0.465 6.345 1.00 0.00 H new ATOM 0 HA HIS A 18 7.099 0.696 3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.308 1.306 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.828 1.835 3.151 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.492 -0.266 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.092 -0.973 4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.946 -2.213 0.844 1.00 0.00 H new ATOM 284 N THR A 19 8.065 2.794 4.936 1.00 0.00 N ATOM 285 CA THR A 19 8.461 4.161 5.257 1.00 0.00 C ATOM 286 C THR A 19 8.468 5.057 3.996 1.00 0.00 C ATOM 287 O THR A 19 9.512 5.554 3.569 1.00 0.00 O ATOM 288 CB THR A 19 9.801 4.098 5.996 1.00 0.00 C ATOM 289 OG1 THR A 19 9.748 3.185 7.077 1.00 0.00 O ATOM 290 CG2 THR A 19 10.247 5.450 6.563 1.00 0.00 C ATOM 0 H THR A 19 8.835 2.126 4.890 1.00 0.00 H new ATOM 0 HA THR A 19 7.735 4.637 5.917 1.00 0.00 H new ATOM 0 HB THR A 19 10.520 3.776 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.827 2.873 7.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.203 5.333 7.073 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.355 6.168 5.750 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.500 5.812 7.270 1.00 0.00 H new ATOM 298 N VAL A 20 7.293 5.290 3.401 1.00 0.00 N ATOM 299 CA VAL A 20 7.078 6.173 2.272 1.00 0.00 C ATOM 300 C VAL A 20 7.081 7.624 2.761 1.00 0.00 C ATOM 301 O VAL A 20 6.046 8.281 2.812 1.00 0.00 O ATOM 302 CB VAL A 20 5.802 5.744 1.521 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.491 5.916 2.300 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.715 6.478 0.182 1.00 0.00 C ATOM 0 H VAL A 20 6.432 4.842 3.716 1.00 0.00 H new ATOM 0 HA VAL A 20 7.886 6.101 1.543 1.00 0.00 H new ATOM 0 HB VAL A 20 5.905 4.669 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.655 5.586 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.528 5.319 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.357 6.966 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.811 6.170 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.684 7.553 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.588 6.234 -0.424 1.00 0.00 H new ATOM 314 N GLU A 21 8.272 8.099 3.134 1.00 0.00 N ATOM 315 CA GLU A 21 8.584 9.475 3.487 1.00 0.00 C ATOM 316 C GLU A 21 10.113 9.552 3.554 1.00 0.00 C ATOM 317 O GLU A 21 10.695 10.036 4.520 1.00 0.00 O ATOM 318 CB GLU A 21 7.857 9.926 4.775 1.00 0.00 C ATOM 319 CG GLU A 21 6.759 10.957 4.463 1.00 0.00 C ATOM 320 CD GLU A 21 6.018 11.401 5.717 1.00 0.00 C ATOM 321 OE1 GLU A 21 6.694 11.906 6.637 1.00 0.00 O ATOM 322 OE2 GLU A 21 4.776 11.252 5.732 1.00 0.00 O ATOM 0 H GLU A 21 9.089 7.492 3.200 1.00 0.00 H new ATOM 0 HA GLU A 21 8.217 10.183 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.416 9.060 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.577 10.357 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.205 11.826 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.049 10.528 3.756 1.00 0.00 H new ATOM 329 N LYS A 22 10.752 9.068 2.478 1.00 0.00 N ATOM 330 CA LYS A 22 12.175 9.201 2.187 1.00 0.00 C ATOM 331 C LYS A 22 13.069 9.064 3.428 1.00 0.00 C ATOM 332 O LYS A 22 13.805 9.987 3.776 1.00 0.00 O ATOM 333 CB LYS A 22 12.412 10.497 1.392 1.00 0.00 C ATOM 334 CG LYS A 22 11.708 11.709 2.019 1.00 0.00 C ATOM 335 CD LYS A 22 12.149 13.021 1.361 1.00 0.00 C ATOM 336 CE LYS A 22 11.289 14.189 1.880 1.00 0.00 C ATOM 337 NZ LYS A 22 12.102 15.293 2.429 1.00 0.00 N ATOM 0 H LYS A 22 10.258 8.547 1.754 1.00 0.00 H new ATOM 0 HA LYS A 22 12.479 8.360 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.483 10.693 1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.056 10.363 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.629 11.596 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.926 11.745 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.201 13.210 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.055 12.943 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.670 14.568 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.613 13.822 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.475 16.052 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.674 14.941 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.730 15.664 1.687 1.00 0.00 H new ATOM 351 N GLY A 23 13.010 7.894 4.072 1.00 0.00 N ATOM 352 CA GLY A 23 13.791 7.583 5.263 1.00 0.00 C ATOM 353 C GLY A 23 14.411 6.194 5.147 1.00 0.00 C ATOM 354 O GLY A 23 15.627 6.056 5.026 1.00 0.00 O ATOM 0 H GLY A 23 12.407 7.128 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.575 8.328 5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 23 13.154 7.631 6.146 1.00 0.00 H new ATOM 358 N GLY A 24 13.574 5.155 5.199 1.00 0.00 N ATOM 359 CA GLY A 24 14.023 3.780 5.118 1.00 0.00 C ATOM 360 C GLY A 24 14.258 3.360 3.670 1.00 0.00 C ATOM 361 O GLY A 24 14.318 4.184 2.760 1.00 0.00 O ATOM 0 H GLY A 24 12.564 5.254 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.945 3.662 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.280 3.125 5.573 1.00 0.00 H new ATOM 365 N LYS A 25 14.379 2.048 3.477 1.00 0.00 N ATOM 366 CA LYS A 25 14.455 1.365 2.192 1.00 0.00 C ATOM 367 C LYS A 25 13.475 0.186 2.267 1.00 0.00 C ATOM 368 O LYS A 25 12.858 -0.023 3.311 1.00 0.00 O ATOM 369 CB LYS A 25 15.902 0.892 1.922 1.00 0.00 C ATOM 370 CG LYS A 25 16.601 1.652 0.778 1.00 0.00 C ATOM 371 CD LYS A 25 17.152 3.044 1.134 1.00 0.00 C ATOM 372 CE LYS A 25 18.592 3.033 1.674 1.00 0.00 C ATOM 373 NZ LYS A 25 18.700 2.427 3.015 1.00 0.00 N ATOM 0 H LYS A 25 14.429 1.397 4.261 1.00 0.00 H new ATOM 0 HA LYS A 25 14.187 2.025 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.488 1.007 2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.888 -0.172 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.425 1.040 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.894 1.762 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.114 3.675 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.500 3.501 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.230 2.484 0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.968 4.055 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.614 2.684 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.928 2.777 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.634 1.392 2.935 1.00 0.00 H new ATOM 387 N HIS A 26 13.346 -0.574 1.173 1.00 0.00 N ATOM 388 CA HIS A 26 12.500 -1.762 1.097 1.00 0.00 C ATOM 389 C HIS A 26 12.798 -2.682 2.289 1.00 0.00 C ATOM 390 O HIS A 26 13.958 -3.036 2.496 1.00 0.00 O ATOM 391 CB HIS A 26 12.769 -2.525 -0.213 1.00 0.00 C ATOM 392 CG HIS A 26 12.986 -1.668 -1.437 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.172 -1.543 -2.128 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.055 -0.890 -2.070 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.957 -0.704 -3.154 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.684 -0.282 -3.161 1.00 0.00 N ATOM 0 H HIS A 26 13.837 -0.373 0.302 1.00 0.00 H new ATOM 0 HA HIS A 26 11.455 -1.452 1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.648 -3.154 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.928 -3.191 -0.403 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.022 -0.768 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.706 -0.410 -3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.258 0.358 -3.831 1.00 0.00 H new ATOM 404 N LYS A 27 11.786 -3.064 3.074 1.00 0.00 N ATOM 405 CA LYS A 27 12.005 -3.823 4.301 1.00 0.00 C ATOM 406 C LYS A 27 10.710 -4.530 4.700 1.00 0.00 C ATOM 407 O LYS A 27 9.903 -3.995 5.450 1.00 0.00 O ATOM 408 CB LYS A 27 12.564 -2.887 5.392 1.00 0.00 C ATOM 409 CG LYS A 27 12.641 -3.527 6.793 1.00 0.00 C ATOM 410 CD LYS A 27 11.643 -2.854 7.755 1.00 0.00 C ATOM 411 CE LYS A 27 11.210 -3.760 8.917 1.00 0.00 C ATOM 412 NZ LYS A 27 12.324 -4.103 9.823 1.00 0.00 N ATOM 0 H LYS A 27 10.807 -2.858 2.878 1.00 0.00 H new ATOM 0 HA LYS A 27 12.751 -4.604 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.562 -2.560 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.939 -1.995 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.424 -4.593 6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.653 -3.432 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.094 -1.948 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.760 -2.548 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.425 -3.262 9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.779 -4.677 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.974 -4.715 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.064 -4.603 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.720 -3.232 10.231 1.00 0.00 H new ATOM 426 N THR A 28 10.513 -5.757 4.205 1.00 0.00 N ATOM 427 CA THR A 28 9.276 -6.510 4.417 1.00 0.00 C ATOM 428 C THR A 28 8.075 -5.695 3.918 1.00 0.00 C ATOM 429 O THR A 28 6.966 -5.846 4.409 1.00 0.00 O ATOM 430 CB THR A 28 9.164 -6.948 5.893 1.00 0.00 C ATOM 431 OG1 THR A 28 10.397 -7.530 6.271 1.00 0.00 O ATOM 432 CG2 THR A 28 8.087 -8.008 6.159 1.00 0.00 C ATOM 0 H THR A 28 11.207 -6.254 3.647 1.00 0.00 H new ATOM 0 HA THR A 28 9.288 -7.429 3.831 1.00 0.00 H new ATOM 0 HB THR A 28 8.899 -6.053 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.351 -7.815 7.207 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.077 -8.258 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.112 -7.617 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.306 -8.903 5.578 1.00 0.00 H new ATOM 440 N GLY A 29 8.297 -4.865 2.901 1.00 0.00 N ATOM 441 CA GLY A 29 7.335 -3.922 2.382 1.00 0.00 C ATOM 442 C GLY A 29 8.125 -2.997 1.461 1.00 0.00 C ATOM 443 O GLY A 29 9.235 -2.599 1.825 1.00 0.00 O ATOM 0 H GLY A 29 9.187 -4.837 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.540 -4.432 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.861 -3.362 3.188 1.00 0.00 H new ATOM 447 N PRO A 30 7.637 -2.726 0.243 1.00 0.00 N ATOM 448 CA PRO A 30 8.253 -1.769 -0.653 1.00 0.00 C ATOM 449 C PRO A 30 7.794 -0.365 -0.253 1.00 0.00 C ATOM 450 O PRO A 30 6.638 -0.174 0.120 1.00 0.00 O ATOM 451 CB PRO A 30 7.742 -2.159 -2.042 1.00 0.00 C ATOM 452 CG PRO A 30 6.339 -2.696 -1.759 1.00 0.00 C ATOM 453 CD PRO A 30 6.451 -3.308 -0.364 1.00 0.00 C ATOM 0 HA PRO A 30 9.343 -1.771 -0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.717 -1.303 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.376 -2.914 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.594 -1.901 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.040 -3.439 -2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.563 -3.089 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.536 -4.393 -0.421 1.00 0.00 H new ATOM 461 N ASN A 31 8.665 0.642 -0.338 1.00 0.00 N ATOM 462 CA ASN A 31 8.219 2.026 -0.251 1.00 0.00 C ATOM 463 C ASN A 31 7.179 2.284 -1.346 1.00 0.00 C ATOM 464 O ASN A 31 7.388 1.923 -2.503 1.00 0.00 O ATOM 465 CB ASN A 31 9.401 3.000 -0.357 1.00 0.00 C ATOM 466 CG ASN A 31 10.170 2.880 -1.673 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.437 1.779 -2.138 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.573 4.000 -2.265 1.00 0.00 N ATOM 0 H ASN A 31 9.670 0.524 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 31 7.760 2.196 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.032 4.020 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.085 2.821 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.117 3.954 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.338 4.905 -1.858 1.00 0.00 H new ATOM 475 N LEU A 32 6.046 2.885 -0.978 1.00 0.00 N ATOM 476 CA LEU A 32 4.879 3.049 -1.840 1.00 0.00 C ATOM 477 C LEU A 32 5.104 4.200 -2.831 1.00 0.00 C ATOM 478 O LEU A 32 4.358 5.176 -2.846 1.00 0.00 O ATOM 479 CB LEU A 32 3.640 3.275 -0.957 1.00 0.00 C ATOM 480 CG LEU A 32 3.417 2.187 0.105 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.177 2.522 0.939 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.257 0.802 -0.529 1.00 0.00 C ATOM 0 H LEU A 32 5.914 3.281 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 32 4.718 2.150 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.734 4.240 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.758 3.330 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 32 4.298 2.161 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.024 1.747 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.319 3.483 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.304 2.574 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.101 0.059 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.399 0.806 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.157 0.553 -1.091 1.00 0.00 H new ATOM 494 N HIS A 33 6.152 4.079 -3.650 1.00 0.00 N ATOM 495 CA HIS A 33 6.767 5.163 -4.404 1.00 0.00 C ATOM 496 C HIS A 33 5.765 5.981 -5.217 1.00 0.00 C ATOM 497 O HIS A 33 5.786 7.207 -5.169 1.00 0.00 O ATOM 498 CB HIS A 33 7.863 4.580 -5.303 1.00 0.00 C ATOM 499 CG HIS A 33 8.584 5.625 -6.115 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.240 6.045 -7.380 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.663 6.366 -5.712 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.102 7.013 -7.733 1.00 0.00 C ATOM 503 NE2 HIS A 33 9.992 7.239 -6.753 1.00 0.00 N ATOM 0 H HIS A 33 6.611 3.182 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 33 7.199 5.864 -3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.586 4.047 -4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.419 3.848 -5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.169 6.290 -4.761 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.082 7.538 -8.677 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.757 7.914 -6.766 1.00 0.00 H new ATOM 511 N GLY A 34 4.924 5.316 -6.013 1.00 0.00 N ATOM 512 CA GLY A 34 3.991 6.019 -6.879 1.00 0.00 C ATOM 513 C GLY A 34 2.838 5.124 -7.317 1.00 0.00 C ATOM 514 O GLY A 34 2.464 5.162 -8.490 1.00 0.00 O ATOM 0 H GLY A 34 4.874 4.299 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.596 6.890 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.519 6.387 -7.759 1.00 0.00 H new ATOM 518 N LEU A 35 2.306 4.333 -6.373 1.00 0.00 N ATOM 519 CA LEU A 35 1.228 3.361 -6.543 1.00 0.00 C ATOM 520 C LEU A 35 0.259 3.748 -7.657 1.00 0.00 C ATOM 521 O LEU A 35 0.347 3.201 -8.752 1.00 0.00 O ATOM 522 CB LEU A 35 0.462 3.193 -5.222 1.00 0.00 C ATOM 523 CG LEU A 35 1.249 2.522 -4.094 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.365 2.565 -2.844 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.574 1.066 -4.438 1.00 0.00 C ATOM 0 H LEU A 35 2.643 4.361 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 35 1.690 2.417 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.136 4.176 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.438 2.608 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 35 2.194 3.043 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.889 2.095 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.140 3.602 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.564 2.029 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.133 0.615 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.647 0.513 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.173 1.032 -5.348 1.00 0.00 H new ATOM 537 N PHE A 36 -0.632 4.707 -7.377 1.00 0.00 N ATOM 538 CA PHE A 36 -1.555 5.301 -8.329 1.00 0.00 C ATOM 539 C PHE A 36 -0.823 5.617 -9.630 1.00 0.00 C ATOM 540 O PHE A 36 -0.122 6.626 -9.722 1.00 0.00 O ATOM 541 CB PHE A 36 -2.195 6.547 -7.700 1.00 0.00 C ATOM 542 CG PHE A 36 -2.980 6.243 -6.436 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.265 5.680 -6.537 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.380 6.366 -5.168 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.938 5.252 -5.382 1.00 0.00 C ATOM 546 CE2 PHE A 36 -3.041 5.891 -4.022 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.343 5.385 -4.121 1.00 0.00 C ATOM 0 H PHE A 36 -0.727 5.100 -6.441 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.355 4.602 -8.572 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.414 7.272 -7.469 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.858 7.014 -8.428 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.734 5.577 -7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.408 6.827 -5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.923 4.817 -5.466 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.544 5.916 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.885 5.099 -3.231 1.00 0.00 H new ATOM 557 N GLY A 37 -0.968 4.731 -10.620 1.00 0.00 N ATOM 558 CA GLY A 37 -0.273 4.868 -11.896 1.00 0.00 C ATOM 559 C GLY A 37 0.901 3.900 -12.095 1.00 0.00 C ATOM 560 O GLY A 37 1.050 3.382 -13.201 1.00 0.00 O ATOM 0 H GLY A 37 -1.566 3.907 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.990 4.718 -12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.097 5.889 -11.985 1.00 0.00 H new ATOM 564 N ARG A 38 1.770 3.661 -11.100 1.00 0.00 N ATOM 565 CA ARG A 38 2.840 2.684 -11.300 1.00 0.00 C ATOM 566 C ARG A 38 2.219 1.292 -11.389 1.00 0.00 C ATOM 567 O ARG A 38 1.615 0.805 -10.436 1.00 0.00 O ATOM 568 CB ARG A 38 3.930 2.697 -10.207 1.00 0.00 C ATOM 569 CG ARG A 38 5.249 3.380 -10.621 1.00 0.00 C ATOM 570 CD ARG A 38 5.411 4.772 -10.013 1.00 0.00 C ATOM 571 NE ARG A 38 4.311 5.670 -10.398 1.00 0.00 N ATOM 572 CZ ARG A 38 4.343 6.597 -11.367 1.00 0.00 C ATOM 573 NH1 ARG A 38 5.374 6.635 -12.219 1.00 0.00 N ATOM 574 NH2 ARG A 38 3.345 7.480 -11.474 1.00 0.00 N ATOM 0 H ARG A 38 1.753 4.113 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 38 3.348 2.960 -12.224 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.536 3.203 -9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.145 1.669 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.088 2.755 -10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.288 3.456 -11.708 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.451 4.691 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.360 5.201 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 38 3.439 5.579 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.134 5.960 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.400 7.339 -12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.563 7.447 -10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.366 8.186 -12.209 1.00 0.00 H new ATOM 588 N LYS A 39 2.409 0.637 -12.532 1.00 0.00 N ATOM 589 CA LYS A 39 2.088 -0.767 -12.660 1.00 0.00 C ATOM 590 C LYS A 39 2.938 -1.586 -11.682 1.00 0.00 C ATOM 591 O LYS A 39 4.150 -1.390 -11.616 1.00 0.00 O ATOM 592 CB LYS A 39 2.199 -1.233 -14.120 1.00 0.00 C ATOM 593 CG LYS A 39 3.584 -1.047 -14.765 1.00 0.00 C ATOM 594 CD LYS A 39 3.615 0.121 -15.762 1.00 0.00 C ATOM 595 CE LYS A 39 5.038 0.274 -16.320 1.00 0.00 C ATOM 596 NZ LYS A 39 5.137 1.359 -17.319 1.00 0.00 N ATOM 0 H LYS A 39 2.784 1.064 -13.379 1.00 0.00 H new ATOM 0 HA LYS A 39 1.046 -0.931 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.932 -2.289 -14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.464 -0.691 -14.714 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.325 -0.874 -13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.869 -1.966 -15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.911 -0.060 -16.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.304 1.043 -15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.727 0.475 -15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.350 -0.666 -16.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.115 1.423 -17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.500 1.157 -18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.866 2.262 -16.879 1.00 0.00 H new ATOM 610 N THR A 40 2.310 -2.476 -10.909 1.00 0.00 N ATOM 611 CA THR A 40 3.037 -3.404 -10.055 1.00 0.00 C ATOM 612 C THR A 40 3.507 -4.596 -10.891 1.00 0.00 C ATOM 613 O THR A 40 3.485 -4.571 -12.122 1.00 0.00 O ATOM 614 CB THR A 40 2.177 -3.810 -8.853 1.00 0.00 C ATOM 615 OG1 THR A 40 2.976 -4.368 -7.833 1.00 0.00 O ATOM 616 CG2 THR A 40 1.090 -4.833 -9.171 1.00 0.00 C ATOM 0 H THR A 40 1.295 -2.569 -10.861 1.00 0.00 H new ATOM 0 HA THR A 40 3.925 -2.925 -9.644 1.00 0.00 H new ATOM 0 HB THR A 40 1.696 -2.883 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.203 -3.674 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.530 -5.063 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.413 -4.424 -9.921 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.549 -5.744 -9.555 1.00 0.00 H new ATOM 624 N GLY A 41 3.894 -5.668 -10.205 1.00 0.00 N ATOM 625 CA GLY A 41 4.298 -6.918 -10.825 1.00 0.00 C ATOM 626 C GLY A 41 5.698 -6.833 -11.444 1.00 0.00 C ATOM 627 O GLY A 41 6.090 -7.714 -12.207 1.00 0.00 O ATOM 0 H GLY A 41 3.935 -5.689 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.280 -7.713 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.577 -7.188 -11.597 1.00 0.00 H new ATOM 631 N GLN A 42 6.456 -5.776 -11.122 1.00 0.00 N ATOM 632 CA GLN A 42 7.769 -5.498 -11.681 1.00 0.00 C ATOM 633 C GLN A 42 8.463 -4.449 -10.805 1.00 0.00 C ATOM 634 O GLN A 42 8.244 -3.254 -10.986 1.00 0.00 O ATOM 635 CB GLN A 42 7.618 -5.015 -13.135 1.00 0.00 C ATOM 636 CG GLN A 42 8.969 -4.676 -13.785 1.00 0.00 C ATOM 637 CD GLN A 42 8.803 -4.239 -15.239 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.996 -3.369 -15.550 1.00 0.00 O ATOM 639 NE2 GLN A 42 9.575 -4.827 -16.150 1.00 0.00 N ATOM 0 H GLN A 42 6.156 -5.075 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 42 8.382 -6.399 -11.694 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.120 -5.787 -13.721 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.976 -4.134 -13.157 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.456 -3.881 -13.220 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.623 -5.546 -13.739 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.239 -5.548 -15.867 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.503 -4.557 -17.131 1.00 0.00 H new ATOM 648 N ALA A 43 9.305 -4.893 -9.870 1.00 0.00 N ATOM 649 CA ALA A 43 10.208 -4.040 -9.097 1.00 0.00 C ATOM 650 C ALA A 43 11.651 -4.365 -9.494 1.00 0.00 C ATOM 651 O ALA A 43 11.905 -5.480 -9.948 1.00 0.00 O ATOM 652 CB ALA A 43 9.992 -4.277 -7.596 1.00 0.00 C ATOM 0 H ALA A 43 9.379 -5.880 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 43 10.004 -2.990 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.667 -3.639 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.961 -4.039 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.194 -5.322 -7.360 1.00 0.00 H new ATOM 658 N PRO A 44 12.611 -3.443 -9.309 1.00 0.00 N ATOM 659 CA PRO A 44 14.000 -3.656 -9.701 1.00 0.00 C ATOM 660 C PRO A 44 14.740 -4.682 -8.830 1.00 0.00 C ATOM 661 O PRO A 44 15.875 -5.027 -9.144 1.00 0.00 O ATOM 662 CB PRO A 44 14.658 -2.272 -9.625 1.00 0.00 C ATOM 663 CG PRO A 44 13.834 -1.550 -8.561 1.00 0.00 C ATOM 664 CD PRO A 44 12.426 -2.090 -8.807 1.00 0.00 C ATOM 0 HA PRO A 44 14.047 -4.086 -10.702 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.708 -2.341 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.619 -1.755 -10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.185 -1.776 -7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.879 -0.467 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.839 -2.089 -7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.890 -1.474 -9.528 1.00 0.00 H new ATOM 672 N GLY A 45 14.130 -5.167 -7.743 1.00 0.00 N ATOM 673 CA GLY A 45 14.717 -6.209 -6.914 1.00 0.00 C ATOM 674 C GLY A 45 13.626 -6.980 -6.176 1.00 0.00 C ATOM 675 O GLY A 45 13.175 -8.030 -6.630 1.00 0.00 O ATOM 0 H GLY A 45 13.218 -4.845 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.298 -6.892 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.407 -5.766 -6.196 1.00 0.00 H new ATOM 679 N PHE A 46 13.181 -6.452 -5.031 1.00 0.00 N ATOM 680 CA PHE A 46 12.139 -7.096 -4.245 1.00 0.00 C ATOM 681 C PHE A 46 10.802 -6.866 -4.940 1.00 0.00 C ATOM 682 O PHE A 46 10.093 -5.909 -4.640 1.00 0.00 O ATOM 683 CB PHE A 46 12.140 -6.593 -2.794 1.00 0.00 C ATOM 684 CG PHE A 46 10.931 -7.033 -1.983 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.640 -8.403 -1.813 1.00 0.00 C ATOM 686 CD2 PHE A 46 9.979 -6.072 -1.596 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.412 -8.798 -1.248 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.759 -6.477 -1.034 1.00 0.00 C ATOM 689 CZ PHE A 46 8.481 -7.835 -0.837 1.00 0.00 C ATOM 0 H PHE A 46 13.530 -5.580 -4.633 1.00 0.00 H new ATOM 0 HA PHE A 46 12.326 -8.168 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.044 -6.947 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.184 -5.504 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.359 -9.149 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.188 -5.021 -1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.187 -9.848 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.028 -5.735 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.555 -8.138 -0.371 1.00 0.00 H new ATOM 699 N THR A 47 10.473 -7.750 -5.881 1.00 0.00 N ATOM 700 CA THR A 47 9.196 -7.741 -6.573 1.00 0.00 C ATOM 701 C THR A 47 8.247 -8.786 -5.969 1.00 0.00 C ATOM 702 O THR A 47 7.491 -9.439 -6.679 1.00 0.00 O ATOM 703 CB THR A 47 9.433 -7.792 -8.092 1.00 0.00 C ATOM 704 OG1 THR A 47 8.311 -7.300 -8.804 1.00 0.00 O ATOM 705 CG2 THR A 47 9.867 -9.161 -8.605 1.00 0.00 C ATOM 0 H THR A 47 11.096 -8.499 -6.184 1.00 0.00 H new ATOM 0 HA THR A 47 8.657 -6.806 -6.420 1.00 0.00 H new ATOM 0 HB THR A 47 10.278 -7.131 -8.282 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.498 -7.740 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.014 -9.115 -9.684 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.801 -9.451 -8.124 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.097 -9.897 -8.375 1.00 0.00 H new ATOM 713 N TYR A 48 8.223 -8.876 -4.635 1.00 0.00 N ATOM 714 CA TYR A 48 7.153 -9.535 -3.887 1.00 0.00 C ATOM 715 C TYR A 48 7.187 -11.063 -4.039 1.00 0.00 C ATOM 716 O TYR A 48 8.222 -11.638 -4.371 1.00 0.00 O ATOM 717 CB TYR A 48 5.779 -8.946 -4.260 1.00 0.00 C ATOM 718 CG TYR A 48 5.772 -7.521 -4.781 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.511 -6.502 -4.145 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.168 -7.265 -6.023 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.736 -5.279 -4.805 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.326 -6.017 -6.628 1.00 0.00 C ATOM 723 CZ TYR A 48 6.109 -5.025 -6.036 1.00 0.00 C ATOM 724 OH TYR A 48 6.447 -3.937 -6.782 1.00 0.00 O ATOM 0 H TYR A 48 8.955 -8.488 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 48 7.324 -9.334 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.327 -9.588 -5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.138 -8.990 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.904 -6.660 -3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.583 -8.032 -6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.388 -4.539 -4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.835 -5.816 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 48 5.911 -3.924 -7.602 1.00 0.00 H new ATOM 734 N THR A 49 6.056 -11.722 -3.763 1.00 0.00 N ATOM 735 CA THR A 49 5.844 -13.128 -4.085 1.00 0.00 C ATOM 736 C THR A 49 5.692 -13.277 -5.603 1.00 0.00 C ATOM 737 O THR A 49 5.509 -12.290 -6.302 1.00 0.00 O ATOM 738 CB THR A 49 4.582 -13.624 -3.355 1.00 0.00 C ATOM 739 OG1 THR A 49 3.473 -12.809 -3.695 1.00 0.00 O ATOM 740 CG2 THR A 49 4.774 -13.556 -1.838 1.00 0.00 C ATOM 0 H THR A 49 5.257 -11.285 -3.305 1.00 0.00 H new ATOM 0 HA THR A 49 6.694 -13.728 -3.760 1.00 0.00 H new ATOM 0 HB THR A 49 4.404 -14.656 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.655 -13.196 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.871 -13.911 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.617 -14.183 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.970 -12.526 -1.542 1.00 0.00 H new ATOM 748 N ASP A 50 5.699 -14.506 -6.116 1.00 0.00 N ATOM 749 CA ASP A 50 5.200 -14.854 -7.443 1.00 0.00 C ATOM 750 C ASP A 50 3.742 -14.440 -7.577 1.00 0.00 C ATOM 751 O ASP A 50 3.368 -13.879 -8.596 1.00 0.00 O ATOM 752 CB ASP A 50 5.354 -16.371 -7.637 1.00 0.00 C ATOM 753 CG ASP A 50 4.559 -17.186 -6.617 1.00 0.00 C ATOM 754 OD1 ASP A 50 4.411 -16.678 -5.478 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.099 -18.279 -7.001 1.00 0.00 O ATOM 0 H ASP A 50 6.063 -15.310 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 50 5.770 -14.328 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.027 -16.638 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.409 -16.636 -7.563 1.00 0.00 H new ATOM 760 N ALA A 51 2.921 -14.692 -6.565 1.00 0.00 N ATOM 761 CA ALA A 51 1.497 -14.398 -6.607 1.00 0.00 C ATOM 762 C ALA A 51 1.256 -12.903 -6.799 1.00 0.00 C ATOM 763 O ALA A 51 0.506 -12.505 -7.691 1.00 0.00 O ATOM 764 CB ALA A 51 0.832 -14.948 -5.344 1.00 0.00 C ATOM 0 H ALA A 51 3.228 -15.109 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 51 1.042 -14.890 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.236 -14.730 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.981 -16.027 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.276 -14.480 -4.466 1.00 0.00 H new ATOM 770 N ASN A 52 1.916 -12.063 -6.001 1.00 0.00 N ATOM 771 CA ASN A 52 1.815 -10.621 -6.180 1.00 0.00 C ATOM 772 C ASN A 52 2.485 -10.202 -7.489 1.00 0.00 C ATOM 773 O ASN A 52 1.931 -9.409 -8.249 1.00 0.00 O ATOM 774 CB ASN A 52 2.428 -9.879 -4.988 1.00 0.00 C ATOM 775 CG ASN A 52 1.397 -9.104 -4.193 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.051 -9.480 -3.074 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.954 -7.979 -4.740 1.00 0.00 N ATOM 0 H ASN A 52 2.520 -12.356 -5.233 1.00 0.00 H new ATOM 0 HA ASN A 52 0.760 -10.352 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.923 -10.596 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.196 -9.193 -5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.299 -7.387 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.268 -7.706 -5.671 1.00 0.00 H new ATOM 784 N LYS A 53 3.675 -10.741 -7.768 1.00 0.00 N ATOM 785 CA LYS A 53 4.447 -10.397 -8.960 1.00 0.00 C ATOM 786 C LYS A 53 3.619 -10.661 -10.210 1.00 0.00 C ATOM 787 O LYS A 53 3.648 -9.904 -11.176 1.00 0.00 O ATOM 788 CB LYS A 53 5.754 -11.186 -9.017 1.00 0.00 C ATOM 789 CG LYS A 53 6.612 -10.874 -10.255 1.00 0.00 C ATOM 790 CD LYS A 53 6.499 -11.911 -11.385 1.00 0.00 C ATOM 791 CE LYS A 53 6.784 -13.326 -10.854 1.00 0.00 C ATOM 792 NZ LYS A 53 7.392 -14.212 -11.866 1.00 0.00 N ATOM 0 H LYS A 53 4.130 -11.431 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 53 4.695 -9.337 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.336 -10.973 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.525 -12.252 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.324 -9.898 -10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.656 -10.800 -9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.500 -11.875 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.203 -11.667 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.449 -13.258 -9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.853 -13.770 -10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.560 -15.150 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.749 -14.304 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.296 -13.807 -12.184 1.00 0.00 H new ATOM 806 N ASN A 54 2.877 -11.764 -10.181 1.00 0.00 N ATOM 807 CA ASN A 54 2.086 -12.235 -11.293 1.00 0.00 C ATOM 808 C ASN A 54 0.945 -11.251 -11.615 1.00 0.00 C ATOM 809 O ASN A 54 0.280 -11.383 -12.638 1.00 0.00 O ATOM 810 CB ASN A 54 1.532 -13.632 -10.978 1.00 0.00 C ATOM 811 CG ASN A 54 0.737 -14.220 -12.139 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.229 -14.291 -13.259 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.484 -14.681 -11.878 1.00 0.00 N ATOM 0 H ASN A 54 2.813 -12.364 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 54 2.723 -12.298 -12.175 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.358 -14.300 -10.732 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.894 -13.576 -10.096 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.038 -15.108 -12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.866 -14.607 -10.935 1.00 0.00 H new ATOM 820 N LYS A 55 0.643 -10.306 -10.711 1.00 0.00 N ATOM 821 CA LYS A 55 -0.633 -9.605 -10.730 1.00 0.00 C ATOM 822 C LYS A 55 -0.775 -8.614 -11.888 1.00 0.00 C ATOM 823 O LYS A 55 -1.802 -8.648 -12.566 1.00 0.00 O ATOM 824 CB LYS A 55 -0.880 -8.931 -9.380 1.00 0.00 C ATOM 825 CG LYS A 55 -2.288 -8.328 -9.232 1.00 0.00 C ATOM 826 CD LYS A 55 -3.418 -9.367 -9.103 1.00 0.00 C ATOM 827 CE LYS A 55 -4.447 -9.350 -10.250 1.00 0.00 C ATOM 828 NZ LYS A 55 -3.934 -9.902 -11.523 1.00 0.00 N ATOM 0 H LYS A 55 1.271 -10.016 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.403 -10.356 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.723 -9.661 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.141 -8.142 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.303 -7.683 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.491 -7.695 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.974 -10.361 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.941 -9.199 -8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.325 -9.920 -9.946 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.775 -8.324 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.707 -9.952 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.180 -9.287 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.554 -10.856 -11.359 1.00 0.00 H new ATOM 842 N GLY A 56 0.177 -7.695 -12.060 1.00 0.00 N ATOM 843 CA GLY A 56 0.143 -6.694 -13.125 1.00 0.00 C ATOM 844 C GLY A 56 -1.132 -5.836 -13.125 1.00 0.00 C ATOM 845 O GLY A 56 -1.916 -5.873 -14.070 1.00 0.00 O ATOM 0 H GLY A 56 0.998 -7.625 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.010 -6.041 -13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.232 -7.197 -14.088 1.00 0.00 H new ATOM 849 N ILE A 57 -1.323 -5.036 -12.072 1.00 0.00 N ATOM 850 CA ILE A 57 -2.341 -3.999 -11.944 1.00 0.00 C ATOM 851 C ILE A 57 -1.654 -2.638 -11.849 1.00 0.00 C ATOM 852 O ILE A 57 -0.433 -2.580 -11.756 1.00 0.00 O ATOM 853 CB ILE A 57 -3.168 -4.235 -10.673 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.263 -4.422 -9.442 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.108 -5.422 -10.911 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.983 -4.106 -8.133 1.00 0.00 C ATOM 0 H ILE A 57 -0.736 -5.102 -11.241 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.999 -4.027 -12.812 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.776 -3.357 -10.456 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.900 -5.450 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.389 -3.778 -9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.702 -5.601 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.771 -5.199 -11.747 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.521 -6.311 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.300 -4.254 -7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.322 -3.070 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.842 -4.768 -8.021 1.00 0.00 H new ATOM 868 N THR A 58 -2.438 -1.559 -11.826 1.00 0.00 N ATOM 869 CA THR A 58 -1.978 -0.172 -11.867 1.00 0.00 C ATOM 870 C THR A 58 -2.133 0.533 -10.510 1.00 0.00 C ATOM 871 O THR A 58 -2.140 1.764 -10.462 1.00 0.00 O ATOM 872 CB THR A 58 -2.779 0.526 -12.980 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.040 -0.415 -14.007 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.048 1.727 -13.582 1.00 0.00 C ATOM 0 H THR A 58 -3.454 -1.632 -11.776 1.00 0.00 H new ATOM 0 HA THR A 58 -0.910 -0.130 -12.081 1.00 0.00 H new ATOM 0 HB THR A 58 -3.700 0.902 -12.534 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.552 0.016 -14.723 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.665 2.175 -14.361 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.855 2.464 -12.802 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.102 1.399 -14.013 1.00 0.00 H new ATOM 882 N TRP A 59 -2.304 -0.255 -9.435 1.00 0.00 N ATOM 883 CA TRP A 59 -2.634 0.188 -8.083 1.00 0.00 C ATOM 884 C TRP A 59 -3.471 1.464 -8.077 1.00 0.00 C ATOM 885 O TRP A 59 -3.045 2.492 -7.557 1.00 0.00 O ATOM 886 CB TRP A 59 -1.364 0.326 -7.238 1.00 0.00 C ATOM 887 CG TRP A 59 -0.784 -0.950 -6.728 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.494 -1.337 -6.905 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.394 -1.958 -5.864 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.691 -2.549 -6.284 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.437 -2.991 -5.634 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.645 -2.098 -5.223 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.714 -4.119 -4.850 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.918 -3.205 -4.398 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.968 -4.226 -4.232 1.00 0.00 C ATOM 0 H TRP A 59 -2.209 -1.269 -9.496 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.259 -0.580 -7.627 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.607 0.835 -7.834 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.585 0.969 -6.386 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.245 -0.783 -7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.573 -3.061 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.404 -1.344 -5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.027 -4.894 -4.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.867 -3.270 -3.887 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.203 -5.091 -3.630 1.00 0.00 H new ATOM 906 N LYS A 60 -4.676 1.387 -8.646 1.00 0.00 N ATOM 907 CA LYS A 60 -5.567 2.531 -8.676 1.00 0.00 C ATOM 908 C LYS A 60 -6.454 2.523 -7.423 1.00 0.00 C ATOM 909 O LYS A 60 -6.407 1.579 -6.621 1.00 0.00 O ATOM 910 CB LYS A 60 -6.386 2.569 -9.975 1.00 0.00 C ATOM 911 CG LYS A 60 -7.371 1.415 -10.225 1.00 0.00 C ATOM 912 CD LYS A 60 -6.774 0.237 -11.011 1.00 0.00 C ATOM 913 CE LYS A 60 -7.933 -0.580 -11.605 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.491 -1.754 -12.377 1.00 0.00 N ATOM 0 H LYS A 60 -5.049 0.546 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.976 3.447 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.949 3.502 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.689 2.604 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.736 1.049 -9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.234 1.800 -10.768 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.120 0.601 -11.803 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.165 -0.387 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.585 -0.911 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.529 0.066 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.321 -2.258 -12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.892 -1.444 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.947 -2.390 -11.760 1.00 0.00 H new ATOM 928 N GLU A 61 -7.316 3.541 -7.300 1.00 0.00 N ATOM 929 CA GLU A 61 -8.237 3.759 -6.179 1.00 0.00 C ATOM 930 C GLU A 61 -9.457 2.827 -6.213 1.00 0.00 C ATOM 931 O GLU A 61 -10.589 3.242 -5.979 1.00 0.00 O ATOM 932 CB GLU A 61 -8.610 5.252 -6.083 1.00 0.00 C ATOM 933 CG GLU A 61 -9.223 5.880 -7.344 1.00 0.00 C ATOM 934 CD GLU A 61 -9.306 7.391 -7.169 1.00 0.00 C ATOM 935 OE1 GLU A 61 -10.008 7.829 -6.231 1.00 0.00 O ATOM 936 OE2 GLU A 61 -8.578 8.100 -7.892 1.00 0.00 O ATOM 0 H GLU A 61 -7.393 4.267 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.718 3.489 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.315 5.377 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.713 5.813 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.616 5.637 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.217 5.469 -7.522 1.00 0.00 H new ATOM 943 N GLU A 62 -9.186 1.546 -6.455 1.00 0.00 N ATOM 944 CA GLU A 62 -10.140 0.454 -6.499 1.00 0.00 C ATOM 945 C GLU A 62 -9.400 -0.763 -5.944 1.00 0.00 C ATOM 946 O GLU A 62 -9.758 -1.338 -4.916 1.00 0.00 O ATOM 947 CB GLU A 62 -10.594 0.200 -7.952 1.00 0.00 C ATOM 948 CG GLU A 62 -10.940 1.470 -8.740 1.00 0.00 C ATOM 949 CD GLU A 62 -11.346 1.120 -10.164 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.463 0.598 -10.880 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.522 1.350 -10.508 1.00 0.00 O ATOM 0 H GLU A 62 -8.233 1.230 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.036 0.674 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.804 -0.335 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.467 -0.453 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.752 2.002 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.081 2.141 -8.755 1.00 0.00 H new ATOM 958 N THR A 63 -8.299 -1.098 -6.620 1.00 0.00 N ATOM 959 CA THR A 63 -7.430 -2.205 -6.300 1.00 0.00 C ATOM 960 C THR A 63 -6.818 -1.995 -4.920 1.00 0.00 C ATOM 961 O THR A 63 -6.803 -2.916 -4.106 1.00 0.00 O ATOM 962 CB THR A 63 -6.382 -2.326 -7.417 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.892 -1.050 -7.808 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.030 -2.922 -8.668 1.00 0.00 C ATOM 0 H THR A 63 -7.986 -0.576 -7.438 1.00 0.00 H new ATOM 0 HA THR A 63 -7.978 -3.146 -6.251 1.00 0.00 H new ATOM 0 HB THR A 63 -5.575 -2.948 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.478 -0.609 -7.037 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.285 -3.007 -9.459 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.427 -3.910 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.841 -2.274 -9.002 1.00 0.00 H new ATOM 972 N LEU A 64 -6.357 -0.770 -4.641 1.00 0.00 N ATOM 973 CA LEU A 64 -5.887 -0.429 -3.312 1.00 0.00 C ATOM 974 C LEU A 64 -6.976 -0.663 -2.276 1.00 0.00 C ATOM 975 O LEU A 64 -6.695 -1.199 -1.214 1.00 0.00 O ATOM 976 CB LEU A 64 -5.464 1.043 -3.259 1.00 0.00 C ATOM 977 CG LEU A 64 -3.939 1.220 -3.212 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.470 1.813 -4.534 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.560 2.128 -2.042 1.00 0.00 C ATOM 0 H LEU A 64 -6.303 -0.010 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.033 -1.068 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.859 1.562 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.907 1.513 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.453 0.255 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.388 1.943 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.738 1.141 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.948 2.780 -4.689 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.477 2.251 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.032 3.102 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.900 1.680 -1.108 1.00 0.00 H new ATOM 991 N MET A 65 -8.203 -0.221 -2.551 1.00 0.00 N ATOM 992 CA MET A 65 -9.255 -0.256 -1.564 1.00 0.00 C ATOM 993 C MET A 65 -9.586 -1.710 -1.213 1.00 0.00 C ATOM 994 O MET A 65 -9.624 -2.069 -0.037 1.00 0.00 O ATOM 995 CB MET A 65 -10.449 0.552 -2.083 1.00 0.00 C ATOM 996 CG MET A 65 -11.407 0.823 -0.924 1.00 0.00 C ATOM 997 SD MET A 65 -12.679 2.088 -1.171 1.00 0.00 S ATOM 998 CE MET A 65 -11.650 3.561 -1.367 1.00 0.00 C ATOM 0 H MET A 65 -8.482 0.164 -3.453 1.00 0.00 H new ATOM 0 HA MET A 65 -8.942 0.212 -0.631 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.108 1.492 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 65 -10.960 0.003 -2.874 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.907 -0.113 -0.675 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.813 1.108 -0.056 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.264 4.453 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.861 3.557 -0.615 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.203 3.563 -2.361 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.786 -2.542 -2.242 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.065 -3.968 -2.077 1.00 0.00 C ATOM 1010 C GLU A 66 -8.925 -4.623 -1.273 1.00 0.00 C ATOM 1011 O GLU A 66 -9.147 -5.228 -0.226 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.295 -4.594 -3.470 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.478 -5.576 -3.570 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.148 -7.020 -3.207 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.449 -7.216 -2.194 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.629 -7.925 -3.930 1.00 0.00 O ATOM 0 H GLU A 66 -9.758 -2.241 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.976 -4.137 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.452 -3.790 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.386 -5.116 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.277 -5.226 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.865 -5.552 -4.589 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.679 -4.428 -1.724 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.488 -4.953 -1.062 1.00 0.00 C ATOM 1025 C TYR A 67 -6.436 -4.582 0.414 1.00 0.00 C ATOM 1026 O TYR A 67 -6.390 -5.459 1.266 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.246 -4.455 -1.796 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.933 -5.053 -1.325 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.739 -6.448 -1.318 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.857 -4.206 -1.009 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.498 -6.995 -0.953 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.601 -4.754 -0.711 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.422 -6.144 -0.657 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.214 -6.663 -0.316 1.00 0.00 O ATOM 0 H TYR A 67 -7.472 -3.895 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.526 -6.042 -1.103 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.363 -4.667 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.192 -3.371 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.552 -7.103 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.997 -3.135 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.372 -8.066 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.763 -4.099 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 67 0.158 -6.158 0.437 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.421 -3.291 0.726 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.336 -2.835 2.105 1.00 0.00 C ATOM 1046 C LEU A 68 -7.480 -3.391 2.946 1.00 0.00 C ATOM 1047 O LEU A 68 -7.255 -3.770 4.094 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.287 -1.301 2.200 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.866 -0.716 2.226 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.022 -1.353 3.338 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.145 -0.849 0.883 1.00 0.00 C ATOM 0 H LEU A 68 -6.467 -2.540 0.038 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.399 -3.220 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.826 -0.878 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.814 -0.987 3.101 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.983 0.348 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.022 -0.918 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.492 -1.166 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.951 -2.428 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.147 -0.419 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.066 -1.903 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.708 -0.320 0.114 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.693 -3.449 2.388 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.817 -4.038 3.097 1.00 0.00 C ATOM 1065 C GLU A 69 -9.515 -5.500 3.447 1.00 0.00 C ATOM 1066 O GLU A 69 -9.802 -5.949 4.556 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.090 -3.934 2.246 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.346 -4.246 3.070 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.498 -4.651 2.164 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.035 -3.732 1.499 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.839 -5.851 2.174 1.00 0.00 O ATOM 0 H GLU A 69 -8.914 -3.097 1.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.978 -3.490 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.168 -2.930 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.024 -4.625 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.133 -5.048 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.628 -3.372 3.656 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.997 -6.267 2.482 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.959 -7.719 2.583 1.00 0.00 C ATOM 1080 C ASN A 70 -7.836 -8.299 1.718 1.00 0.00 C ATOM 1081 O ASN A 70 -8.096 -8.899 0.675 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.329 -8.247 2.150 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.628 -9.623 2.729 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.727 -10.403 3.036 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.912 -9.941 2.878 1.00 0.00 N ATOM 0 H ASN A 70 -8.597 -5.898 1.619 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.749 -8.025 3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.102 -7.547 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.369 -8.297 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.171 -10.852 3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.637 -9.273 2.615 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.569 -8.155 2.122 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.445 -8.344 1.219 1.00 0.00 C ATOM 1094 C PRO A 71 -5.377 -9.784 0.718 1.00 0.00 C ATOM 1095 O PRO A 71 -5.315 -10.036 -0.484 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.206 -7.880 1.991 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.633 -7.912 3.462 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.141 -7.663 3.417 1.00 0.00 C ATOM 0 HA PRO A 71 -5.537 -7.758 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.357 -8.539 1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.902 -6.878 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.401 -8.872 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.119 -7.146 4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.651 -8.187 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.369 -6.603 3.530 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.475 -10.735 1.649 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.521 -12.158 1.361 1.00 0.00 C ATOM 1108 C LYS A 72 -6.760 -12.601 0.570 1.00 0.00 C ATOM 1109 O LYS A 72 -6.884 -13.795 0.291 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.389 -12.930 2.682 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.445 -12.589 3.752 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.407 -13.736 4.116 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.656 -13.836 3.220 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.522 -14.826 2.131 1.00 0.00 N ATOM 0 H LYS A 72 -5.525 -10.525 2.646 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.684 -12.387 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.445 -13.997 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.400 -12.740 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.930 -12.267 4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.033 -11.741 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.863 -14.679 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.727 -13.609 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.515 -14.100 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.862 -12.857 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.319 -14.725 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.629 -14.665 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.524 -15.786 2.532 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.720 -11.718 0.279 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.854 -12.007 -0.592 1.00 0.00 C ATOM 1130 C LYS A 73 -8.601 -11.369 -1.951 1.00 0.00 C ATOM 1131 O LYS A 73 -8.715 -12.058 -2.962 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.148 -11.522 0.064 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.393 -11.531 -0.835 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.506 -10.233 -1.660 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.920 -9.636 -1.628 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.836 -10.342 -2.538 1.00 0.00 N ATOM 0 H LYS A 73 -7.727 -10.768 0.650 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.966 -13.080 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.347 -12.145 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.991 -10.506 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.351 -12.388 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.285 -11.651 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.797 -9.500 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.225 -10.438 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.311 -9.683 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.875 -8.582 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.780 -9.908 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.477 -10.276 -3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.899 -11.342 -2.260 1.00 0.00 H new ATOM 1150 N TYR A 74 -8.252 -10.076 -1.980 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.880 -9.402 -3.217 1.00 0.00 C ATOM 1152 C TYR A 74 -6.867 -10.225 -4.009 1.00 0.00 C ATOM 1153 O TYR A 74 -6.994 -10.369 -5.225 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.275 -8.024 -2.923 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.926 -7.251 -4.184 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.952 -6.955 -5.099 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.583 -7.016 -4.549 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.645 -6.463 -6.375 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.274 -6.526 -5.831 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.306 -6.292 -6.751 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.014 -5.984 -8.043 1.00 0.00 O ATOM 0 H TYR A 74 -8.222 -9.479 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.789 -9.285 -3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.980 -7.442 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.376 -8.149 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.983 -7.108 -4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.790 -7.213 -3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.438 -6.217 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.248 -6.331 -6.105 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.826 -6.053 -8.587 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.842 -10.733 -3.318 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.736 -11.438 -3.944 1.00 0.00 C ATOM 1173 C ILE A 75 -4.486 -12.764 -3.202 1.00 0.00 C ATOM 1174 O ILE A 75 -4.217 -12.759 -1.999 1.00 0.00 O ATOM 1175 CB ILE A 75 -3.549 -10.465 -4.069 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.795 -10.599 -5.402 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -2.586 -10.594 -2.899 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.076 -9.287 -5.718 1.00 0.00 C ATOM 0 H ILE A 75 -5.762 -10.663 -2.304 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.948 -11.753 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.987 -9.467 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.075 -11.415 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.492 -10.845 -6.203 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.763 -9.891 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.111 -10.374 -1.970 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.192 -11.610 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.542 -9.383 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.806 -8.481 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.367 -9.060 -4.922 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.599 -13.926 -3.870 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.432 -15.217 -3.219 1.00 0.00 C ATOM 1192 C PRO A 76 -2.941 -15.535 -3.067 1.00 0.00 C ATOM 1193 O PRO A 76 -2.438 -16.491 -3.654 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.165 -16.206 -4.128 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.947 -15.613 -5.519 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.000 -14.106 -5.259 1.00 0.00 C ATOM 0 HA PRO A 76 -4.839 -15.253 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.752 -17.212 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.224 -16.275 -3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.990 -15.917 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.720 -15.930 -6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.330 -13.570 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.003 -13.715 -5.430 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.235 -14.728 -2.274 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.812 -14.894 -2.018 1.00 0.00 C ATOM 1206 C GLY A 77 -0.097 -13.545 -2.015 1.00 0.00 C ATOM 1207 O GLY A 77 0.150 -12.956 -3.065 1.00 0.00 O ATOM 0 H GLY A 77 -2.645 -13.931 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.667 -15.389 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.375 -15.540 -2.779 1.00 0.00 H new ATOM 1211 N THR A 78 0.256 -13.060 -0.829 1.00 0.00 N ATOM 1212 CA THR A 78 1.012 -11.844 -0.620 1.00 0.00 C ATOM 1213 C THR A 78 1.954 -12.098 0.552 1.00 0.00 C ATOM 1214 O THR A 78 1.680 -12.971 1.375 1.00 0.00 O ATOM 1215 CB THR A 78 0.030 -10.695 -0.353 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.722 -9.471 -0.319 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.809 -10.859 0.919 1.00 0.00 C ATOM 0 H THR A 78 0.010 -13.527 0.044 1.00 0.00 H new ATOM 0 HA THR A 78 1.605 -11.562 -1.490 1.00 0.00 H new ATOM 0 HB THR A 78 -0.680 -10.713 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.008 -9.231 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.474 -10.003 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.401 -11.772 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.149 -10.919 1.785 1.00 0.00 H new ATOM 1225 N LYS A 79 3.053 -11.342 0.632 1.00 0.00 N ATOM 1226 CA LYS A 79 3.872 -11.301 1.838 1.00 0.00 C ATOM 1227 C LYS A 79 3.286 -10.315 2.855 1.00 0.00 C ATOM 1228 O LYS A 79 3.792 -10.236 3.972 1.00 0.00 O ATOM 1229 CB LYS A 79 5.327 -10.928 1.499 1.00 0.00 C ATOM 1230 CG LYS A 79 6.276 -12.132 1.412 1.00 0.00 C ATOM 1231 CD LYS A 79 7.729 -11.713 1.695 1.00 0.00 C ATOM 1232 CE LYS A 79 7.982 -11.528 3.205 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.378 -11.149 3.504 1.00 0.00 N ATOM 0 H LYS A 79 3.393 -10.751 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 79 3.871 -12.296 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.343 -10.396 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.700 -10.238 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.968 -12.894 2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.210 -12.580 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.409 -12.468 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.948 -10.782 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.310 -10.761 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.741 -12.454 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.495 -11.037 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.020 -11.892 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.603 -10.251 3.030 1.00 0.00 H new ATOM 1247 N MET A 80 2.270 -9.533 2.480 1.00 0.00 N ATOM 1248 CA MET A 80 1.665 -8.576 3.387 1.00 0.00 C ATOM 1249 C MET A 80 0.865 -9.294 4.470 1.00 0.00 C ATOM 1250 O MET A 80 0.222 -10.310 4.216 1.00 0.00 O ATOM 1251 CB MET A 80 0.790 -7.635 2.575 1.00 0.00 C ATOM 1252 CG MET A 80 0.204 -6.471 3.370 1.00 0.00 C ATOM 1253 SD MET A 80 0.150 -4.954 2.395 1.00 0.00 S ATOM 1254 CE MET A 80 -1.537 -4.375 2.663 1.00 0.00 C ATOM 0 H MET A 80 1.854 -9.550 1.549 1.00 0.00 H new ATOM 0 HA MET A 80 2.437 -7.998 3.895 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.378 -7.235 1.749 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.028 -8.207 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.803 -6.727 3.700 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.801 -6.306 4.267 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.695 -3.447 2.114 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.241 -5.129 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.697 -4.199 3.727 1.00 0.00 H new ATOM 1264 N ILE A 81 0.913 -8.751 5.685 1.00 0.00 N ATOM 1265 CA ILE A 81 0.309 -9.323 6.874 1.00 0.00 C ATOM 1266 C ILE A 81 -0.557 -8.216 7.467 1.00 0.00 C ATOM 1267 O ILE A 81 -0.067 -7.394 8.239 1.00 0.00 O ATOM 1268 CB ILE A 81 1.421 -9.777 7.837 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.482 -10.680 7.179 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.831 -10.453 9.084 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.964 -12.053 6.736 1.00 0.00 C ATOM 0 H ILE A 81 1.392 -7.869 5.869 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.300 -10.203 6.666 1.00 0.00 H new ATOM 0 HB ILE A 81 1.941 -8.867 8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.892 -10.164 6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.303 -10.825 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.639 -10.763 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.183 -9.750 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.252 -11.326 8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.778 -12.620 6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.581 -12.594 7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.164 -11.922 6.007 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.823 -8.131 7.048 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.683 -7.033 7.455 1.00 0.00 C ATOM 1285 C PHE A 82 -4.156 -7.410 7.317 1.00 0.00 C ATOM 1286 O PHE A 82 -4.475 -8.392 6.648 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.338 -5.775 6.641 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.572 -4.515 7.431 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.710 -4.233 8.505 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.761 -3.783 7.272 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.046 -3.246 9.440 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.117 -2.823 8.230 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.269 -2.570 9.326 1.00 0.00 C ATOM 0 H PHE A 82 -2.267 -8.810 6.430 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.509 -6.817 8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.295 -5.819 6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.942 -5.752 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.785 -4.780 8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.397 -3.959 6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.367 -3.007 10.245 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.043 -2.277 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.561 -1.854 10.080 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.036 -6.637 7.964 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.472 -6.884 7.987 1.00 0.00 C ATOM 1305 C ALA A 83 -7.264 -5.609 8.289 1.00 0.00 C ATOM 1306 O ALA A 83 -8.225 -5.308 7.591 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.792 -7.968 9.019 1.00 0.00 C ATOM 0 H ALA A 83 -4.760 -5.810 8.493 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.772 -7.224 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.867 -8.150 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.271 -8.888 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.466 -7.639 10.006 1.00 0.00 H new ATOM 1313 N GLY A 84 -6.895 -4.869 9.341 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.635 -3.687 9.762 1.00 0.00 C ATOM 1315 C GLY A 84 -6.716 -2.727 10.509 1.00 0.00 C ATOM 1316 O GLY A 84 -5.769 -3.161 11.163 1.00 0.00 O ATOM 0 H GLY A 84 -6.079 -5.076 9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.063 -3.189 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.466 -3.979 10.404 1.00 0.00 H new ATOM 1320 N ILE A 85 -6.982 -1.425 10.375 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.128 -0.337 10.839 1.00 0.00 C ATOM 1322 C ILE A 85 -6.905 0.618 11.755 1.00 0.00 C ATOM 1323 O ILE A 85 -6.353 1.111 12.744 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.491 0.373 9.626 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -4.769 1.656 10.051 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.505 0.673 8.522 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -3.621 1.999 9.098 1.00 0.00 C ATOM 0 H ILE A 85 -7.832 -1.091 9.922 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.316 -0.739 11.445 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.759 -0.321 9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.480 2.482 10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.380 1.537 11.062 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.003 1.173 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.946 -0.259 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.289 1.320 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.133 2.915 9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.898 1.184 9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.014 2.143 8.092 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.176 0.876 11.432 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.123 1.597 12.245 1.00 0.00 C ATOM 1341 C LYS A 86 -10.522 1.013 11.990 1.00 0.00 C ATOM 1342 O LYS A 86 -10.812 -0.077 12.474 1.00 0.00 O ATOM 1343 CB LYS A 86 -8.990 3.106 11.982 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.845 3.876 12.984 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.659 5.397 12.869 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.195 5.989 14.208 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.184 7.466 14.187 1.00 0.00 N ATOM 0 H LYS A 86 -8.579 0.566 10.548 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.926 1.477 13.310 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.947 3.410 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.306 3.338 10.965 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.895 3.629 12.827 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.590 3.557 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.927 5.621 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.597 5.861 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.853 5.643 15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.195 5.622 14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.769 7.823 15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.617 7.798 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.158 7.819 14.094 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.391 1.726 11.261 1.00 0.00 N ATOM 1362 CA LYS A 87 -12.809 1.409 11.147 1.00 0.00 C ATOM 1363 C LYS A 87 -13.487 2.336 10.122 1.00 0.00 C ATOM 1364 O LYS A 87 -14.007 3.379 10.511 1.00 0.00 O ATOM 1365 CB LYS A 87 -13.440 1.623 12.535 1.00 0.00 C ATOM 1366 CG LYS A 87 -14.920 1.255 12.635 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.092 -0.216 13.026 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.576 -0.528 13.231 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.131 0.080 14.460 1.00 0.00 N ATOM 0 H LYS A 87 -11.118 2.551 10.728 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.941 0.381 10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.884 1.034 13.265 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.322 2.670 12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.408 1.891 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.411 1.441 11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.680 -0.859 12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.537 -0.426 13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.139 -0.170 12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.712 -1.609 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.083 -0.300 14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.514 -0.144 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.186 1.112 14.342 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.517 1.979 8.834 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.270 2.656 7.777 1.00 0.00 C ATOM 1385 C LYS A 88 -13.665 4.003 7.373 1.00 0.00 C ATOM 1386 O LYS A 88 -13.472 4.237 6.183 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.779 2.707 8.077 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.554 3.476 6.995 1.00 0.00 C ATOM 1389 CD LYS A 88 -18.025 3.035 6.943 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.234 1.818 6.027 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.175 2.178 4.593 1.00 0.00 N ATOM 0 H LYS A 88 -12.994 1.175 8.486 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.173 2.040 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.169 1.692 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.941 3.181 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.500 4.546 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.088 3.311 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.366 2.793 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.639 3.864 6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.473 1.069 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.200 1.363 6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.405 1.344 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.861 2.935 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.218 2.509 4.357 1.00 0.00 H new ATOM 1405 N THR A 89 -13.371 4.889 8.329 1.00 0.00 N ATOM 1406 CA THR A 89 -12.600 6.098 8.090 1.00 0.00 C ATOM 1407 C THR A 89 -11.354 5.716 7.299 1.00 0.00 C ATOM 1408 O THR A 89 -11.154 6.219 6.200 1.00 0.00 O ATOM 1409 CB THR A 89 -12.231 6.744 9.435 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.361 6.762 10.280 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.692 8.167 9.262 1.00 0.00 C ATOM 0 H THR A 89 -13.668 4.780 9.299 1.00 0.00 H new ATOM 0 HA THR A 89 -13.178 6.824 7.519 1.00 0.00 H new ATOM 0 HB THR A 89 -11.439 6.144 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.122 7.173 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.445 8.584 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.797 8.144 8.640 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.450 8.788 8.784 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.563 4.791 7.854 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.366 4.228 7.251 1.00 0.00 C ATOM 1421 C GLU A 90 -9.494 3.946 5.761 1.00 0.00 C ATOM 1422 O GLU A 90 -8.649 4.386 4.985 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.944 2.969 8.004 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.037 1.985 8.461 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.496 1.018 7.389 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.640 0.247 6.915 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.704 1.093 7.072 1.00 0.00 O ATOM 0 H GLU A 90 -10.755 4.402 8.777 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.593 4.991 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.249 2.420 7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.389 3.282 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.663 1.415 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.898 2.554 8.812 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.543 3.218 5.379 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.808 2.830 3.998 1.00 0.00 C ATOM 1436 C ARG A 91 -10.693 4.023 3.050 1.00 0.00 C ATOM 1437 O ARG A 91 -10.287 3.846 1.907 1.00 0.00 O ATOM 1438 CB ARG A 91 -12.198 2.173 3.904 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.473 1.421 2.588 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.128 -0.082 2.637 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.303 -0.944 2.385 1.00 0.00 N ATOM 1442 CZ ARG A 91 -14.286 -1.207 3.260 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.247 -0.685 4.490 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -15.299 -2.001 2.905 1.00 0.00 N ATOM 0 H ARG A 91 -11.245 2.876 6.035 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.054 2.106 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.311 1.476 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.958 2.945 4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.527 1.533 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.899 1.889 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.358 -0.298 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.708 -0.323 3.614 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.372 -1.377 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.469 -0.085 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.995 -0.886 5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.325 -2.407 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.047 -2.202 3.569 1.00 0.00 H new ATOM 1458 N GLU A 92 -11.033 5.226 3.520 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.871 6.445 2.752 1.00 0.00 C ATOM 1460 C GLU A 92 -9.592 7.182 3.178 1.00 0.00 C ATOM 1461 O GLU A 92 -8.932 7.786 2.348 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.139 7.284 2.937 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.291 8.366 1.855 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.619 7.770 0.487 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.551 6.940 0.445 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -11.937 8.169 -0.479 1.00 0.00 O ATOM 0 H GLU A 92 -11.429 5.373 4.448 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.748 6.231 1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.010 6.629 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.118 7.757 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.079 9.060 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.368 8.942 1.787 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.251 7.176 4.469 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.160 7.946 5.067 1.00 0.00 C ATOM 1475 C ASP A 93 -6.814 7.528 4.484 1.00 0.00 C ATOM 1476 O ASP A 93 -6.100 8.320 3.873 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.192 7.745 6.597 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.831 8.963 7.414 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.264 10.067 7.029 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -7.205 8.743 8.469 1.00 0.00 O ATOM 0 H ASP A 93 -9.750 6.609 5.155 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.292 9.004 4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.192 7.419 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.507 6.938 6.856 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.481 6.250 4.634 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.301 5.648 4.033 1.00 0.00 C ATOM 1487 C LEU A 94 -5.293 5.929 2.536 1.00 0.00 C ATOM 1488 O LEU A 94 -4.301 6.402 1.976 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.339 4.137 4.294 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.750 3.741 5.655 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.259 3.518 5.460 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.953 4.752 6.788 1.00 0.00 C ATOM 0 H LEU A 94 -7.034 5.595 5.186 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.395 6.070 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.371 3.792 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.788 3.625 3.505 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.288 2.848 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.806 3.234 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.102 2.723 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.798 4.437 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.498 4.371 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.486 5.699 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.020 4.906 6.951 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.434 5.672 1.898 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.566 5.790 0.459 1.00 0.00 C ATOM 1506 C ILE A 95 -6.699 7.268 0.053 1.00 0.00 C ATOM 1507 O ILE A 95 -6.833 7.557 -1.134 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.713 4.869 -0.015 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.620 3.460 0.618 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.766 4.721 -1.546 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.271 2.764 0.422 1.00 0.00 C ATOM 0 H ILE A 95 -7.289 5.377 2.370 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.668 5.445 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.628 5.359 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.821 3.541 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.403 2.832 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.591 4.063 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.916 5.700 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.828 4.295 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.295 1.783 0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.074 2.646 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.482 3.366 0.873 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.596 8.217 0.999 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.612 9.639 0.711 1.00 0.00 C ATOM 1525 C ALA A 96 -5.173 10.108 0.794 1.00 0.00 C ATOM 1526 O ALA A 96 -4.651 10.651 -0.178 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.524 10.377 1.692 1.00 0.00 C ATOM 0 H ALA A 96 -6.499 8.004 1.992 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.015 9.847 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.522 11.442 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.539 9.989 1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.161 10.227 2.709 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.505 9.827 1.923 1.00 0.00 N ATOM 1534 CA TYR A 97 -3.079 10.070 2.039 1.00 0.00 C ATOM 1535 C TYR A 97 -2.359 9.528 0.825 1.00 0.00 C ATOM 1536 O TYR A 97 -1.680 10.285 0.144 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.454 9.463 3.299 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.925 9.447 3.279 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.212 10.516 2.697 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.205 8.349 3.789 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.188 10.526 2.697 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.204 8.355 3.777 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.901 9.448 3.234 1.00 0.00 C ATOM 1544 OH TYR A 97 3.253 9.574 3.337 1.00 0.00 O ATOM 0 H TYR A 97 -4.937 9.433 2.759 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.964 11.152 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.791 10.026 4.169 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.818 8.443 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.752 11.336 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.735 7.499 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.720 11.369 2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.750 7.518 4.186 1.00 0.00 H new ATOM 0 HH TYR A 97 3.629 8.757 3.726 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.475 8.231 0.556 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.636 7.632 -0.467 1.00 0.00 C ATOM 1556 C LEU A 98 -1.908 8.214 -1.852 1.00 0.00 C ATOM 1557 O LEU A 98 -1.034 8.165 -2.712 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.732 6.110 -0.413 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.266 5.578 0.952 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.544 4.077 1.019 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.220 5.852 1.229 1.00 0.00 C ATOM 0 H LEU A 98 -3.123 7.593 1.019 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.598 7.890 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.761 5.800 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.122 5.675 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.825 6.109 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.217 3.689 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.613 3.899 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.001 3.570 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.487 5.453 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.828 5.371 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.401 6.927 1.214 1.00 0.00 H new ATOM 1573 N LYS A 99 -3.081 8.819 -2.052 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.458 9.430 -3.316 1.00 0.00 C ATOM 1575 C LYS A 99 -2.659 10.710 -3.574 1.00 0.00 C ATOM 1576 O LYS A 99 -2.596 11.180 -4.707 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.985 9.638 -3.355 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.586 9.075 -4.651 1.00 0.00 C ATOM 1579 CD LYS A 99 -7.091 8.787 -4.547 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.965 10.047 -4.502 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.401 9.696 -4.496 1.00 0.00 N ATOM 0 H LYS A 99 -3.798 8.896 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.204 8.760 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.444 9.150 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.213 10.701 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.414 9.784 -5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.064 8.155 -4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.394 8.177 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.276 8.196 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.725 10.628 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.745 10.678 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.930 10.390 -5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.528 8.748 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.756 9.702 -3.518 1.00 0.00 H new ATOM 1595 N LYS A 100 -2.034 11.253 -2.526 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.122 12.357 -2.540 1.00 0.00 C ATOM 1597 C LYS A 100 0.298 11.837 -2.264 1.00 0.00 C ATOM 1598 O LYS A 100 1.238 12.447 -2.747 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.641 13.385 -1.516 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.506 14.066 -0.755 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.875 15.481 -0.303 1.00 0.00 C ATOM 1602 CE LYS A 100 0.364 16.272 0.157 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.027 15.710 1.352 1.00 0.00 N ATOM 0 H LYS A 100 -2.176 10.891 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.066 12.858 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.235 14.140 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.303 12.887 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.244 13.466 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.379 14.109 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.361 16.010 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.596 15.426 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.083 16.309 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.068 17.300 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.729 16.388 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.316 15.526 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.502 14.820 1.099 1.00 0.00 H new ATOM 1617 N ALA A 101 0.500 10.763 -1.492 1.00 0.00 N ATOM 1618 CA ALA A 101 1.833 10.305 -1.103 1.00 0.00 C ATOM 1619 C ALA A 101 2.654 9.950 -2.331 1.00 0.00 C ATOM 1620 O ALA A 101 3.844 10.240 -2.411 1.00 0.00 O ATOM 1621 CB ALA A 101 1.752 9.072 -0.204 1.00 0.00 C ATOM 0 H ALA A 101 -0.257 10.189 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 101 2.309 11.120 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.758 8.754 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.191 9.316 0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.249 8.265 -0.737 1.00 0.00 H new ATOM 1627 N THR A 102 1.986 9.329 -3.305 1.00 0.00 N ATOM 1628 CA THR A 102 2.566 8.996 -4.591 1.00 0.00 C ATOM 1629 C THR A 102 3.074 10.228 -5.349 1.00 0.00 C ATOM 1630 O THR A 102 3.798 10.087 -6.332 1.00 0.00 O ATOM 1631 CB THR A 102 1.482 8.270 -5.386 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.276 9.004 -5.286 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.276 6.876 -4.787 1.00 0.00 C ATOM 0 H THR A 102 1.012 9.042 -3.213 1.00 0.00 H new ATOM 0 HA THR A 102 3.444 8.366 -4.447 1.00 0.00 H new ATOM 0 HB THR A 102 1.777 8.181 -6.432 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.255 8.660 -4.538 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.504 6.350 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.209 6.315 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.968 6.969 -3.746 1.00 0.00 H new ATOM 1641 N ASN A 103 2.665 11.421 -4.914 1.00 0.00 N ATOM 1642 CA ASN A 103 3.080 12.705 -5.447 1.00 0.00 C ATOM 1643 C ASN A 103 3.211 13.730 -4.303 1.00 0.00 C ATOM 1644 O ASN A 103 2.589 14.792 -4.369 1.00 0.00 O ATOM 1645 CB ASN A 103 2.039 13.121 -6.496 1.00 0.00 C ATOM 1646 CG ASN A 103 2.443 14.367 -7.277 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.401 14.346 -8.043 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.690 15.455 -7.139 1.00 0.00 N ATOM 0 H ASN A 103 2.004 11.515 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 103 4.059 12.648 -5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.884 12.297 -7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.085 13.303 -6.001 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.904 16.295 -7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.898 15.449 -6.496 1.00 0.00 H new ATOM 1655 N GLU A 104 3.997 13.423 -3.257 1.00 0.00 N ATOM 1656 CA GLU A 104 4.488 14.413 -2.298 1.00 0.00 C ATOM 1657 C GLU A 104 6.016 14.410 -2.326 1.00 0.00 C ATOM 1658 O GLU A 104 6.599 15.397 -1.825 1.00 0.00 O ATOM 1659 CB GLU A 104 3.873 14.273 -0.883 1.00 0.00 C ATOM 1660 CG GLU A 104 4.410 13.205 0.093 1.00 0.00 C ATOM 1661 CD GLU A 104 3.790 13.359 1.486 1.00 0.00 C ATOM 1662 OE1 GLU A 104 2.585 13.691 1.579 1.00 0.00 O ATOM 1663 OE2 GLU A 104 4.475 13.149 2.507 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.574 13.435 -2.881 1.00 0.00 O ATOM 0 H GLU A 104 4.309 12.473 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 104 4.145 15.401 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.972 15.240 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.807 14.088 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.191 12.211 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.495 13.288 0.165 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.752 -3.247 2.745 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.649 -4.272 -0.538 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.178 -0.777 1.470 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.965 -2.433 5.971 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.935 -5.714 3.961 1.00 0.00 C HETATM 1677 NA HEC A 105 1.263 -2.675 0.802 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.760 -3.208 -0.369 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.241 -2.417 -1.460 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.367 -1.497 -0.908 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.460 -1.612 0.535 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.607 -0.629 -1.667 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.628 -2.566 -2.926 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.087 -2.199 -3.247 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.391 -2.073 -4.744 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.857 -0.982 -5.133 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.169 -3.057 -5.487 1.00 0.00 O HETATM 1688 NB HEC A 105 0.610 -1.863 3.574 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.077 -0.932 2.869 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.662 -0.039 3.838 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.416 -0.542 5.101 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.434 -1.688 4.921 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.241 1.301 3.504 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.037 -0.124 6.427 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.563 -0.211 6.374 1.00 0.00 C HETATM 1696 NC HEC A 105 2.323 -3.960 4.620 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.875 -3.447 5.786 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.545 -4.124 6.863 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.484 -4.949 6.293 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.248 -4.925 4.869 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.299 -3.895 8.332 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.715 -5.522 6.963 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.434 -6.729 7.858 1.00 0.00 C HETATM 1704 ND HEC A 105 3.030 -4.758 1.867 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.785 -5.629 2.585 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.481 -6.485 1.659 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.086 -6.130 0.387 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.209 -4.983 0.525 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.515 -7.512 2.050 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.364 -6.916 -0.882 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.090 -7.448 -1.558 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.604 -6.581 -2.713 1.00 0.00 C HETATM 1713 O1D HEC A 105 3.463 -6.207 -3.534 1.00 0.00 O HETATM 1714 O2D HEC A 105 1.388 -6.291 -2.759 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.346 -7.018 2.553 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.066 -8.243 2.723 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.881 -8.018 1.157 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.512 -2.855 8.579 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.258 -4.117 8.566 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.949 -4.547 8.916 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.469 1.931 3.061 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.060 1.177 2.795 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.616 1.772 4.413 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 -0.061 0.006 -2.365 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.303 -1.260 -2.220 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.161 -0.005 -0.966 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.278 -8.457 -1.926 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.298 -7.523 -0.813 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.743 -6.441 8.650 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.992 -7.528 7.263 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.367 -7.079 8.300 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.938 0.448 5.591 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.862 -1.237 6.158 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.978 0.093 7.335 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.328 -1.255 -2.759 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.743 -2.956 -2.817 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 4.902 -6.280 -1.585 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.019 -7.755 -0.646 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.452 -3.598 -3.231 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.969 -1.939 -3.527 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.638 -6.449 4.353 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.644 -2.201 6.987 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.789 0.042 1.090 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.920 -4.562 -1.553 1.00 0.00 H new HETATM 0 H2D HEC A 105 0.976 -6.471 -1.888 1.00 0.00 H new HETATM 0 H2A HEC A 105 3.807 -3.772 -5.282 1.00 0.00 H new