USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 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 Set 1.1: A 80 THR OG1 : rot -47:sc= 0.787 USER MOD Set 1.2: A 91 THR OG1 : rot 110:sc= 0.763 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0823 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.3) USER MOD Single : A 5 THR OG1 : rot -96:sc= 1.18 USER MOD Single : A 9 CYS SG : rot 89:sc= -0.45 USER MOD Single : A 11 MET CE :methyl -151:sc= -0.474 (180deg=-1.56!) USER MOD Single : A 12 ASN : amide:sc= -0.833 X(o=-0.83,f=-0.82) USER MOD Single : A 13 MET CE :methyl -107:sc= -1.78 (180deg=-3.56) USER MOD Single : A 25 TYR OH : rot -175:sc= 0.528 USER MOD Single : A 36 CYS SG : rot -109:sc= 0.332 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc=-0.00241 (180deg=-0.157) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -126:sc= 0.594 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 74:sc= 1.32 USER MOD Single : A 68 SER OG : rot -84:sc= 0.68 USER MOD Single : A 72 CYS SG : rot 179:sc= -1.21 USER MOD Single : A 73 GLN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -155:sc= -1.21 (180deg=-2.32!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -150:sc= -1.77! USER MOD Single : A 98 SER OG : rot 180:sc= 0.15 USER MOD Single : A 99 TYR OH : rot -22:sc= 1.25 USER MOD Single : A 100 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.055 13.095 7.332 1.00 0.00 N ATOM 2 CA GLY A 1 13.698 12.602 6.111 1.00 0.00 C ATOM 3 C GLY A 1 14.033 13.768 5.207 1.00 0.00 C ATOM 4 O GLY A 1 14.243 14.889 5.681 1.00 0.00 O ATOM 0 H1 GLY A 1 13.356 12.515 8.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.330 14.085 7.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.022 13.035 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.605 12.052 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.036 11.907 5.595 1.00 0.00 H new ATOM 8 N GLY A 2 14.046 13.495 3.905 1.00 0.00 N ATOM 9 CA GLY A 2 14.055 14.505 2.866 1.00 0.00 C ATOM 10 C GLY A 2 12.671 15.134 2.728 1.00 0.00 C ATOM 11 O GLY A 2 11.827 15.018 3.625 1.00 0.00 O ATOM 0 H GLY A 2 14.051 12.542 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 2 14.790 15.274 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.356 14.059 1.918 1.00 0.00 H new ATOM 15 N HIS A 3 12.468 15.830 1.611 1.00 0.00 N ATOM 16 CA HIS A 3 11.249 16.577 1.329 1.00 0.00 C ATOM 17 C HIS A 3 9.985 15.702 1.339 1.00 0.00 C ATOM 18 O HIS A 3 10.062 14.508 1.035 1.00 0.00 O ATOM 19 CB HIS A 3 11.407 17.312 -0.012 1.00 0.00 C ATOM 20 CG HIS A 3 11.437 16.477 -1.268 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.349 15.499 -1.596 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.644 16.682 -2.363 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.113 15.127 -2.863 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.094 15.835 -3.380 1.00 0.00 N ATOM 0 H HIS A 3 13.160 15.890 0.864 1.00 0.00 H new ATOM 0 HA HIS A 3 11.109 17.299 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.588 18.025 -0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.330 17.890 0.029 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.818 17.374 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.665 14.365 -3.394 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.722 15.768 -4.328 1.00 0.00 H new ATOM 32 N PRO A 4 8.808 16.290 1.627 1.00 0.00 N ATOM 33 CA PRO A 4 7.521 15.682 1.308 1.00 0.00 C ATOM 34 C PRO A 4 7.397 15.527 -0.207 1.00 0.00 C ATOM 35 O PRO A 4 7.918 16.353 -0.962 1.00 0.00 O ATOM 36 CB PRO A 4 6.461 16.673 1.816 1.00 0.00 C ATOM 37 CG PRO A 4 7.173 18.013 1.757 1.00 0.00 C ATOM 38 CD PRO A 4 8.613 17.657 2.086 1.00 0.00 C ATOM 0 HA PRO A 4 7.406 14.698 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.570 16.664 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.140 16.433 2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.087 18.472 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.759 18.721 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.305 18.337 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.799 17.738 3.157 1.00 0.00 H new ATOM 46 N THR A 5 6.633 14.527 -0.640 1.00 0.00 N ATOM 47 CA THR A 5 6.389 14.276 -2.055 1.00 0.00 C ATOM 48 C THR A 5 4.922 13.908 -2.229 1.00 0.00 C ATOM 49 O THR A 5 4.180 13.758 -1.254 1.00 0.00 O ATOM 50 CB THR A 5 7.344 13.187 -2.596 1.00 0.00 C ATOM 51 OG1 THR A 5 7.034 11.936 -2.014 1.00 0.00 O ATOM 52 CG2 THR A 5 8.810 13.526 -2.319 1.00 0.00 C ATOM 0 H THR A 5 6.166 13.868 -0.017 1.00 0.00 H new ATOM 0 HA THR A 5 6.596 15.171 -2.641 1.00 0.00 H new ATOM 0 HB THR A 5 7.205 13.140 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.619 11.780 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.447 12.735 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.062 14.471 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.966 13.614 -1.244 1.00 0.00 H new ATOM 60 N GLU A 6 4.488 13.702 -3.462 1.00 0.00 N ATOM 61 CA GLU A 6 3.120 13.301 -3.771 1.00 0.00 C ATOM 62 C GLU A 6 2.868 11.813 -3.451 1.00 0.00 C ATOM 63 O GLU A 6 1.794 11.313 -3.784 1.00 0.00 O ATOM 64 CB GLU A 6 2.824 13.649 -5.246 1.00 0.00 C ATOM 65 CG GLU A 6 3.101 15.141 -5.504 1.00 0.00 C ATOM 66 CD GLU A 6 2.834 15.631 -6.923 1.00 0.00 C ATOM 67 OE1 GLU A 6 3.169 14.912 -7.892 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.414 16.802 -7.056 1.00 0.00 O ATOM 0 H GLU A 6 5.079 13.809 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 6 2.428 13.852 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.442 13.038 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.785 13.418 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.492 15.728 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.144 15.345 -5.260 1.00 0.00 H new ATOM 75 N VAL A 7 3.821 11.121 -2.801 1.00 0.00 N ATOM 76 CA VAL A 7 3.854 9.665 -2.607 1.00 0.00 C ATOM 77 C VAL A 7 4.178 9.308 -1.151 1.00 0.00 C ATOM 78 O VAL A 7 5.311 9.460 -0.699 1.00 0.00 O ATOM 79 CB VAL A 7 4.861 9.015 -3.573 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.784 7.484 -3.499 1.00 0.00 C ATOM 81 CG2 VAL A 7 4.588 9.461 -5.015 1.00 0.00 C ATOM 0 H VAL A 7 4.625 11.585 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 7 2.863 9.270 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 7 5.859 9.337 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.505 7.050 -4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.012 7.157 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.780 7.157 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.309 8.992 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.580 9.164 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.681 10.545 -5.084 1.00 0.00 H new ATOM 91 N LEU A 8 3.175 8.838 -0.416 1.00 0.00 N ATOM 92 CA LEU A 8 3.196 8.480 0.992 1.00 0.00 C ATOM 93 C LEU A 8 3.328 6.962 1.055 1.00 0.00 C ATOM 94 O LEU A 8 2.552 6.247 0.413 1.00 0.00 O ATOM 95 CB LEU A 8 1.858 8.910 1.626 1.00 0.00 C ATOM 96 CG LEU A 8 1.891 9.205 3.129 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.499 10.584 3.393 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.458 9.203 3.679 1.00 0.00 C ATOM 0 H LEU A 8 2.253 8.687 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 8 4.015 8.964 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.504 9.802 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.124 8.124 1.446 1.00 0.00 H new ATOM 0 HG LEU A 8 2.495 8.439 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.514 10.776 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.517 10.613 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.900 11.347 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.478 9.413 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.128 9.968 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.005 8.226 3.509 1.00 0.00 H new ATOM 110 N CYS A 9 4.280 6.452 1.833 1.00 0.00 N ATOM 111 CA CYS A 9 4.316 5.028 2.129 1.00 0.00 C ATOM 112 C CYS A 9 3.332 4.763 3.265 1.00 0.00 C ATOM 113 O CYS A 9 3.259 5.514 4.247 1.00 0.00 O ATOM 114 CB CYS A 9 5.731 4.579 2.491 1.00 0.00 C ATOM 115 SG CYS A 9 5.796 2.775 2.673 1.00 0.00 S ATOM 0 H CYS A 9 5.026 6.998 2.263 1.00 0.00 H new ATOM 0 HA CYS A 9 4.026 4.451 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.430 4.898 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.044 5.056 3.420 1.00 0.00 H new ATOM 0 HG CYS A 9 6.049 2.231 1.520 1.00 0.00 H new ATOM 121 N LEU A 10 2.595 3.668 3.133 1.00 0.00 N ATOM 122 CA LEU A 10 1.568 3.181 4.025 1.00 0.00 C ATOM 123 C LEU A 10 1.870 1.720 4.314 1.00 0.00 C ATOM 124 O LEU A 10 1.997 0.906 3.402 1.00 0.00 O ATOM 125 CB LEU A 10 0.218 3.284 3.320 1.00 0.00 C ATOM 126 CG LEU A 10 -0.345 4.703 3.190 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.577 4.631 2.292 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.736 5.274 4.554 1.00 0.00 C ATOM 0 H LEU A 10 2.716 3.051 2.330 1.00 0.00 H new ATOM 0 HA LEU A 10 1.542 3.759 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.314 2.856 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.504 2.672 3.861 1.00 0.00 H new ATOM 0 HG LEU A 10 0.415 5.359 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.003 5.628 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.292 4.245 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.317 3.969 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.132 6.282 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.497 4.640 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.142 5.308 5.199 1.00 0.00 H new ATOM 140 N MET A 11 2.022 1.380 5.590 1.00 0.00 N ATOM 141 CA MET A 11 2.681 0.141 5.984 1.00 0.00 C ATOM 142 C MET A 11 1.856 -0.516 7.068 1.00 0.00 C ATOM 143 O MET A 11 2.201 -0.430 8.244 1.00 0.00 O ATOM 144 CB MET A 11 4.074 0.486 6.504 1.00 0.00 C ATOM 145 CG MET A 11 4.984 1.077 5.435 1.00 0.00 C ATOM 146 SD MET A 11 6.489 1.850 6.093 1.00 0.00 S ATOM 147 CE MET A 11 5.744 3.046 7.238 1.00 0.00 C ATOM 0 H MET A 11 1.696 1.949 6.372 1.00 0.00 H new ATOM 0 HA MET A 11 2.772 -0.545 5.142 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.982 1.195 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.537 -0.414 6.909 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.268 0.289 4.737 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.425 1.820 4.866 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.399 3.912 7.336 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.776 3.365 6.852 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.610 2.580 8.214 1.00 0.00 H new ATOM 157 N ASN A 12 0.721 -1.099 6.701 1.00 0.00 N ATOM 158 CA ASN A 12 -0.139 -1.868 7.616 1.00 0.00 C ATOM 159 C ASN A 12 -1.457 -2.336 7.007 1.00 0.00 C ATOM 160 O ASN A 12 -2.056 -3.251 7.562 1.00 0.00 O ATOM 161 CB ASN A 12 -0.523 -1.049 8.869 1.00 0.00 C ATOM 162 CG ASN A 12 0.277 -1.437 10.109 1.00 0.00 C ATOM 163 OD1 ASN A 12 0.530 -2.610 10.362 1.00 0.00 O ATOM 164 ND2 ASN A 12 0.704 -0.484 10.921 1.00 0.00 N ATOM 0 H ASN A 12 0.360 -1.055 5.748 1.00 0.00 H new ATOM 0 HA ASN A 12 0.475 -2.735 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.371 0.011 8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.585 -1.185 9.073 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.241 -0.726 11.754 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.496 0.493 10.715 1.00 0.00 H new ATOM 171 N MET A 13 -1.961 -1.661 5.968 1.00 0.00 N ATOM 172 CA MET A 13 -3.293 -1.892 5.388 1.00 0.00 C ATOM 173 C MET A 13 -3.493 -3.381 5.137 1.00 0.00 C ATOM 174 O MET A 13 -4.491 -3.963 5.568 1.00 0.00 O ATOM 175 CB MET A 13 -3.389 -1.188 4.028 1.00 0.00 C ATOM 176 CG MET A 13 -4.047 0.174 3.948 1.00 0.00 C ATOM 177 SD MET A 13 -2.800 1.472 3.813 1.00 0.00 S ATOM 178 CE MET A 13 -2.477 1.752 5.558 1.00 0.00 C ATOM 0 H MET A 13 -1.443 -0.921 5.494 1.00 0.00 H new ATOM 0 HA MET A 13 -4.043 -1.511 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.376 -1.087 3.638 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.926 -1.853 3.351 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.714 0.212 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.660 0.341 4.834 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.918 2.702 5.862 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.916 0.944 6.144 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.401 1.780 5.729 1.00 0.00 H new ATOM 188 N VAL A 14 -2.512 -3.953 4.444 1.00 0.00 N ATOM 189 CA VAL A 14 -2.502 -5.316 3.974 1.00 0.00 C ATOM 190 C VAL A 14 -1.234 -5.997 4.464 1.00 0.00 C ATOM 191 O VAL A 14 -0.262 -5.351 4.886 1.00 0.00 O ATOM 192 CB VAL A 14 -2.628 -5.364 2.433 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.973 -4.806 1.962 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.489 -4.601 1.740 1.00 0.00 C ATOM 0 H VAL A 14 -1.666 -3.445 4.188 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.361 -5.854 4.375 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.562 -6.415 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.027 -4.855 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.782 -5.396 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.069 -3.769 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.616 -4.660 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.509 -3.557 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.533 -5.044 2.018 1.00 0.00 H new ATOM 204 N LEU A 15 -1.220 -7.318 4.369 1.00 0.00 N ATOM 205 CA LEU A 15 -0.041 -8.140 4.591 1.00 0.00 C ATOM 206 C LEU A 15 0.525 -8.521 3.217 1.00 0.00 C ATOM 207 O LEU A 15 -0.217 -8.473 2.240 1.00 0.00 O ATOM 208 CB LEU A 15 -0.456 -9.375 5.408 1.00 0.00 C ATOM 209 CG LEU A 15 -1.308 -9.061 6.653 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.616 -10.368 7.370 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.622 -8.087 7.617 1.00 0.00 C ATOM 0 H LEU A 15 -2.049 -7.861 4.129 1.00 0.00 H new ATOM 0 HA LEU A 15 0.731 -7.613 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.015 -10.051 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.443 -9.905 5.723 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.223 -8.572 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.219 -10.164 8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.166 -11.029 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.684 -10.847 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.271 -7.905 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.319 -8.517 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.426 -7.145 7.104 1.00 0.00 H new ATOM 223 N PRO A 16 1.793 -8.938 3.085 1.00 0.00 N ATOM 224 CA PRO A 16 2.400 -9.506 1.870 1.00 0.00 C ATOM 225 C PRO A 16 1.861 -10.892 1.481 1.00 0.00 C ATOM 226 O PRO A 16 2.469 -11.571 0.657 1.00 0.00 O ATOM 227 CB PRO A 16 3.906 -9.509 2.145 1.00 0.00 C ATOM 228 CG PRO A 16 3.987 -9.720 3.648 1.00 0.00 C ATOM 229 CD PRO A 16 2.786 -8.929 4.153 1.00 0.00 C ATOM 0 HA PRO A 16 2.144 -8.905 0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.413 -10.305 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.372 -8.570 1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.920 -10.775 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.923 -9.345 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.382 -9.378 5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.074 -7.908 4.404 1.00 0.00 H new ATOM 237 N GLU A 17 0.821 -11.370 2.155 1.00 0.00 N ATOM 238 CA GLU A 17 0.440 -12.778 2.226 1.00 0.00 C ATOM 239 C GLU A 17 -1.068 -12.994 2.046 1.00 0.00 C ATOM 240 O GLU A 17 -1.521 -14.128 2.095 1.00 0.00 O ATOM 241 CB GLU A 17 1.041 -13.455 3.484 1.00 0.00 C ATOM 242 CG GLU A 17 0.652 -12.871 4.862 1.00 0.00 C ATOM 243 CD GLU A 17 1.241 -13.650 6.063 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.868 -14.716 5.880 1.00 0.00 O ATOM 245 OE2 GLU A 17 1.113 -13.196 7.231 1.00 0.00 O ATOM 0 H GLU A 17 0.196 -10.765 2.688 1.00 0.00 H new ATOM 0 HA GLU A 17 0.883 -13.290 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.753 -14.506 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.127 -13.421 3.398 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.987 -11.835 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.435 -12.859 4.947 1.00 0.00 H new ATOM 252 N GLU A 18 -1.858 -11.952 1.772 1.00 0.00 N ATOM 253 CA GLU A 18 -3.322 -12.062 1.669 1.00 0.00 C ATOM 254 C GLU A 18 -3.848 -11.510 0.341 1.00 0.00 C ATOM 255 O GLU A 18 -5.050 -11.436 0.119 1.00 0.00 O ATOM 256 CB GLU A 18 -3.957 -11.347 2.866 1.00 0.00 C ATOM 257 CG GLU A 18 -3.509 -11.906 4.223 1.00 0.00 C ATOM 258 CD GLU A 18 -4.020 -13.320 4.513 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.256 -13.519 4.574 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.208 -14.209 4.851 1.00 0.00 O ATOM 0 H GLU A 18 -1.505 -11.008 1.615 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.599 -13.116 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.708 -10.287 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.042 -11.424 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.420 -11.909 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.854 -11.237 5.012 1.00 0.00 H new ATOM 267 N LEU A 19 -2.950 -11.128 -0.564 1.00 0.00 N ATOM 268 CA LEU A 19 -3.220 -10.500 -1.860 1.00 0.00 C ATOM 269 C LEU A 19 -3.657 -11.506 -2.932 1.00 0.00 C ATOM 270 O LEU A 19 -3.620 -11.227 -4.130 1.00 0.00 O ATOM 271 CB LEU A 19 -1.972 -9.786 -2.377 1.00 0.00 C ATOM 272 CG LEU A 19 -1.238 -8.860 -1.437 1.00 0.00 C ATOM 273 CD1 LEU A 19 -2.095 -7.756 -0.811 1.00 0.00 C ATOM 274 CD2 LEU A 19 -0.392 -9.621 -0.441 1.00 0.00 C ATOM 0 H LEU A 19 -1.951 -11.256 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.035 -9.797 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.267 -10.547 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.259 -9.209 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.548 -8.299 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.477 -7.145 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.515 -7.130 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.904 -8.206 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.119 -8.917 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.030 -10.275 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.346 -10.221 -0.974 1.00 0.00 H new ATOM 286 N LEU A 20 -3.927 -12.716 -2.480 1.00 0.00 N ATOM 287 CA LEU A 20 -4.142 -13.915 -3.275 1.00 0.00 C ATOM 288 C LEU A 20 -5.624 -14.197 -3.529 1.00 0.00 C ATOM 289 O LEU A 20 -5.930 -14.958 -4.446 1.00 0.00 O ATOM 290 CB LEU A 20 -3.509 -15.120 -2.560 1.00 0.00 C ATOM 291 CG LEU A 20 -1.976 -15.104 -2.390 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.248 -14.842 -3.714 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.465 -14.122 -1.322 1.00 0.00 C ATOM 0 H LEU A 20 -4.008 -12.902 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.673 -13.750 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.959 -15.202 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.780 -16.021 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.741 -16.109 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.171 -14.840 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.500 -15.625 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.554 -13.875 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.378 -14.176 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.766 -13.108 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.889 -14.385 -0.353 1.00 0.00 H new ATOM 305 N ASP A 21 -6.543 -13.611 -2.762 1.00 0.00 N ATOM 306 CA ASP A 21 -7.982 -13.720 -2.999 1.00 0.00 C ATOM 307 C ASP A 21 -8.389 -12.377 -3.593 1.00 0.00 C ATOM 308 O ASP A 21 -8.661 -11.435 -2.854 1.00 0.00 O ATOM 309 CB ASP A 21 -8.752 -14.092 -1.710 1.00 0.00 C ATOM 310 CG ASP A 21 -9.083 -15.592 -1.652 1.00 0.00 C ATOM 311 OD1 ASP A 21 -9.684 -16.111 -2.621 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.769 -16.252 -0.630 1.00 0.00 O ATOM 0 H ASP A 21 -6.307 -13.041 -1.950 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.230 -14.530 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.156 -13.818 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.675 -13.514 -1.659 1.00 0.00 H new ATOM 317 N ASP A 22 -8.309 -12.233 -4.921 1.00 0.00 N ATOM 318 CA ASP A 22 -8.365 -10.990 -5.709 1.00 0.00 C ATOM 319 C ASP A 22 -9.587 -10.135 -5.378 1.00 0.00 C ATOM 320 O ASP A 22 -9.586 -8.921 -5.577 1.00 0.00 O ATOM 321 CB ASP A 22 -8.443 -11.290 -7.222 1.00 0.00 C ATOM 322 CG ASP A 22 -7.251 -12.021 -7.836 1.00 0.00 C ATOM 323 OD1 ASP A 22 -7.008 -13.190 -7.455 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.621 -11.476 -8.772 1.00 0.00 O ATOM 0 H ASP A 22 -8.194 -13.048 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.452 -10.452 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.338 -11.884 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.573 -10.346 -7.750 1.00 0.00 H new ATOM 329 N GLU A 23 -10.643 -10.793 -4.911 1.00 0.00 N ATOM 330 CA GLU A 23 -11.895 -10.207 -4.473 1.00 0.00 C ATOM 331 C GLU A 23 -11.748 -9.308 -3.250 1.00 0.00 C ATOM 332 O GLU A 23 -12.558 -8.404 -3.074 1.00 0.00 O ATOM 333 CB GLU A 23 -12.921 -11.313 -4.221 1.00 0.00 C ATOM 334 CG GLU A 23 -12.390 -12.353 -3.231 1.00 0.00 C ATOM 335 CD GLU A 23 -13.437 -13.392 -2.852 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.259 -13.097 -1.950 1.00 0.00 O ATOM 337 OE2 GLU A 23 -13.474 -14.470 -3.496 1.00 0.00 O ATOM 0 H GLU A 23 -10.643 -11.809 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.244 -9.558 -5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.841 -10.876 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.172 -11.800 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.526 -12.856 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.043 -11.847 -2.330 1.00 0.00 H new ATOM 344 N GLU A 24 -10.766 -9.546 -2.385 1.00 0.00 N ATOM 345 CA GLU A 24 -10.515 -8.744 -1.207 1.00 0.00 C ATOM 346 C GLU A 24 -9.633 -7.558 -1.591 1.00 0.00 C ATOM 347 O GLU A 24 -9.847 -6.452 -1.099 1.00 0.00 O ATOM 348 CB GLU A 24 -9.902 -9.674 -0.152 1.00 0.00 C ATOM 349 CG GLU A 24 -9.332 -8.922 1.050 1.00 0.00 C ATOM 350 CD GLU A 24 -9.080 -9.820 2.266 1.00 0.00 C ATOM 351 OE1 GLU A 24 -9.997 -10.604 2.613 1.00 0.00 O ATOM 352 OE2 GLU A 24 -7.991 -9.744 2.886 1.00 0.00 O ATOM 0 H GLU A 24 -10.112 -10.321 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.420 -8.312 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.663 -10.375 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.110 -10.265 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.396 -8.445 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.022 -8.126 1.332 1.00 0.00 H new ATOM 359 N TYR A 25 -8.682 -7.763 -2.509 1.00 0.00 N ATOM 360 CA TYR A 25 -7.714 -6.734 -2.874 1.00 0.00 C ATOM 361 C TYR A 25 -8.374 -5.447 -3.380 1.00 0.00 C ATOM 362 O TYR A 25 -7.838 -4.361 -3.153 1.00 0.00 O ATOM 363 CB TYR A 25 -6.752 -7.329 -3.903 1.00 0.00 C ATOM 364 CG TYR A 25 -5.764 -6.406 -4.563 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.160 -5.640 -5.667 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.423 -6.400 -4.145 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.227 -4.855 -6.348 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.466 -5.637 -4.829 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.878 -4.852 -5.932 1.00 0.00 C ATOM 370 OH TYR A 25 -2.980 -4.110 -6.622 1.00 0.00 O ATOM 0 H TYR A 25 -8.566 -8.641 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.164 -6.433 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.190 -8.125 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.348 -7.795 -4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.190 -5.657 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.126 -6.988 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.536 -4.253 -7.189 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.431 -5.648 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.081 -4.270 -6.266 1.00 0.00 H new ATOM 380 N GLU A 26 -9.506 -5.559 -4.078 1.00 0.00 N ATOM 381 CA GLU A 26 -10.186 -4.470 -4.744 1.00 0.00 C ATOM 382 C GLU A 26 -11.015 -3.634 -3.775 1.00 0.00 C ATOM 383 O GLU A 26 -11.022 -2.409 -3.879 1.00 0.00 O ATOM 384 CB GLU A 26 -11.081 -5.110 -5.802 1.00 0.00 C ATOM 385 CG GLU A 26 -10.396 -5.157 -7.165 1.00 0.00 C ATOM 386 CD GLU A 26 -10.414 -3.806 -7.874 1.00 0.00 C ATOM 387 OE1 GLU A 26 -9.468 -3.001 -7.750 1.00 0.00 O ATOM 388 OE2 GLU A 26 -11.338 -3.577 -8.687 1.00 0.00 O ATOM 0 H GLU A 26 -9.986 -6.452 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.462 -3.785 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.345 -6.121 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.011 -4.547 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.364 -5.484 -7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.891 -5.899 -7.791 1.00 0.00 H new ATOM 395 N GLU A 27 -11.689 -4.284 -2.830 1.00 0.00 N ATOM 396 CA GLU A 27 -12.496 -3.613 -1.820 1.00 0.00 C ATOM 397 C GLU A 27 -11.600 -2.690 -1.008 1.00 0.00 C ATOM 398 O GLU A 27 -11.920 -1.522 -0.823 1.00 0.00 O ATOM 399 CB GLU A 27 -13.187 -4.633 -0.908 1.00 0.00 C ATOM 400 CG GLU A 27 -14.038 -5.637 -1.688 1.00 0.00 C ATOM 401 CD GLU A 27 -15.162 -5.015 -2.527 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.864 -4.074 -2.078 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.372 -5.522 -3.657 1.00 0.00 O ATOM 0 H GLU A 27 -11.689 -5.300 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.275 -3.029 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.433 -5.171 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.818 -4.106 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.386 -6.209 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.478 -6.343 -0.984 1.00 0.00 H new ATOM 410 N ILE A 28 -10.436 -3.196 -0.598 1.00 0.00 N ATOM 411 CA ILE A 28 -9.458 -2.448 0.178 1.00 0.00 C ATOM 412 C ILE A 28 -8.962 -1.220 -0.601 1.00 0.00 C ATOM 413 O ILE A 28 -8.582 -0.211 0.000 1.00 0.00 O ATOM 414 CB ILE A 28 -8.286 -3.383 0.537 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.716 -4.634 1.334 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.253 -2.591 1.349 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.693 -5.765 1.230 1.00 0.00 C ATOM 0 H ILE A 28 -10.146 -4.153 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.924 -2.084 1.093 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.864 -3.744 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.853 -4.366 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.680 -4.984 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.418 -3.242 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.888 -1.753 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.718 -2.215 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.039 -6.623 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.575 -6.054 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.735 -5.426 1.624 1.00 0.00 H new ATOM 429 N VAL A 29 -8.909 -1.289 -1.930 1.00 0.00 N ATOM 430 CA VAL A 29 -8.526 -0.146 -2.734 1.00 0.00 C ATOM 431 C VAL A 29 -9.640 0.895 -2.645 1.00 0.00 C ATOM 432 O VAL A 29 -9.351 2.028 -2.268 1.00 0.00 O ATOM 433 CB VAL A 29 -8.176 -0.599 -4.162 1.00 0.00 C ATOM 434 CG1 VAL A 29 -8.068 0.568 -5.145 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.825 -1.327 -4.162 1.00 0.00 C ATOM 0 H VAL A 29 -9.128 -2.128 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.619 0.330 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.987 -1.253 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.819 0.187 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.020 1.097 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.288 1.253 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.583 -1.645 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.049 -0.654 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.882 -2.200 -3.512 1.00 0.00 H new ATOM 445 N GLU A 30 -10.885 0.548 -2.979 1.00 0.00 N ATOM 446 CA GLU A 30 -11.969 1.525 -3.031 1.00 0.00 C ATOM 447 C GLU A 30 -12.241 2.102 -1.631 1.00 0.00 C ATOM 448 O GLU A 30 -12.377 3.320 -1.496 1.00 0.00 O ATOM 449 CB GLU A 30 -13.225 0.924 -3.695 1.00 0.00 C ATOM 450 CG GLU A 30 -12.972 0.477 -5.156 1.00 0.00 C ATOM 451 CD GLU A 30 -13.963 1.058 -6.178 1.00 0.00 C ATOM 452 OE1 GLU A 30 -15.164 0.697 -6.165 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.526 1.849 -7.055 1.00 0.00 O ATOM 0 H GLU A 30 -11.165 -0.403 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.665 2.361 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.566 0.069 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.028 1.661 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.961 0.768 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.016 -0.611 -5.203 1.00 0.00 H new ATOM 460 N ASP A 31 -12.231 1.266 -0.585 1.00 0.00 N ATOM 461 CA ASP A 31 -12.559 1.654 0.795 1.00 0.00 C ATOM 462 C ASP A 31 -11.619 2.732 1.339 1.00 0.00 C ATOM 463 O ASP A 31 -11.996 3.571 2.167 1.00 0.00 O ATOM 464 CB ASP A 31 -12.471 0.452 1.755 1.00 0.00 C ATOM 465 CG ASP A 31 -13.101 0.801 3.108 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.203 1.393 3.144 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.440 0.578 4.153 1.00 0.00 O ATOM 0 H ASP A 31 -11.989 0.279 -0.675 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.577 2.040 0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.982 -0.407 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.429 0.166 1.895 1.00 0.00 H new ATOM 472 N VAL A 32 -10.364 2.687 0.900 1.00 0.00 N ATOM 473 CA VAL A 32 -9.308 3.590 1.331 1.00 0.00 C ATOM 474 C VAL A 32 -9.180 4.752 0.336 1.00 0.00 C ATOM 475 O VAL A 32 -8.766 5.853 0.712 1.00 0.00 O ATOM 476 CB VAL A 32 -8.012 2.769 1.470 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.830 3.638 1.897 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.150 1.653 2.521 1.00 0.00 C ATOM 0 H VAL A 32 -10.048 2.001 0.215 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.533 4.039 2.298 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.834 2.343 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.936 3.020 1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.663 4.416 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.047 4.099 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.214 1.098 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.381 2.093 3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.953 0.976 2.230 1.00 0.00 H new ATOM 488 N ARG A 33 -9.542 4.546 -0.933 1.00 0.00 N ATOM 489 CA ARG A 33 -9.554 5.605 -1.929 1.00 0.00 C ATOM 490 C ARG A 33 -10.651 6.612 -1.594 1.00 0.00 C ATOM 491 O ARG A 33 -10.429 7.809 -1.801 1.00 0.00 O ATOM 492 CB ARG A 33 -9.675 4.958 -3.323 1.00 0.00 C ATOM 493 CG ARG A 33 -9.504 5.902 -4.517 1.00 0.00 C ATOM 494 CD ARG A 33 -9.167 5.109 -5.796 1.00 0.00 C ATOM 495 NE ARG A 33 -9.136 5.992 -6.974 1.00 0.00 N ATOM 496 CZ ARG A 33 -8.473 5.811 -8.126 1.00 0.00 C ATOM 497 NH1 ARG A 33 -7.630 4.803 -8.326 1.00 0.00 N ATOM 498 NH2 ARG A 33 -8.654 6.672 -9.114 1.00 0.00 N ATOM 0 H ARG A 33 -9.834 3.637 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.627 6.179 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.929 4.167 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.653 4.483 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.419 6.474 -4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.711 6.620 -4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.201 4.619 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.907 4.323 -5.946 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.687 6.848 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.463 4.123 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.150 4.710 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.290 7.460 -8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.157 6.548 -9.996 1.00 0.00 H new ATOM 512 N ASP A 34 -11.781 6.166 -1.035 1.00 0.00 N ATOM 513 CA ASP A 34 -12.858 7.044 -0.570 1.00 0.00 C ATOM 514 C ASP A 34 -12.531 7.714 0.768 1.00 0.00 C ATOM 515 O ASP A 34 -12.884 8.879 0.960 1.00 0.00 O ATOM 516 CB ASP A 34 -14.180 6.281 -0.433 1.00 0.00 C ATOM 517 CG ASP A 34 -15.321 7.241 -0.081 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.732 8.052 -0.943 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.834 7.222 1.060 1.00 0.00 O ATOM 0 H ASP A 34 -11.975 5.175 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.959 7.820 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.407 5.764 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.088 5.518 0.340 1.00 0.00 H new ATOM 524 N GLU A 35 -11.867 7.024 1.705 1.00 0.00 N ATOM 525 CA GLU A 35 -11.516 7.646 2.985 1.00 0.00 C ATOM 526 C GLU A 35 -10.493 8.755 2.778 1.00 0.00 C ATOM 527 O GLU A 35 -10.706 9.897 3.178 1.00 0.00 O ATOM 528 CB GLU A 35 -11.173 6.646 4.084 1.00 0.00 C ATOM 529 CG GLU A 35 -9.741 6.165 4.224 1.00 0.00 C ATOM 530 CD GLU A 35 -8.917 7.095 5.101 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.320 7.322 6.272 1.00 0.00 O ATOM 532 OE2 GLU A 35 -7.888 7.578 4.603 1.00 0.00 O ATOM 0 H GLU A 35 -11.568 6.054 1.603 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.412 8.126 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.465 7.091 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.802 5.768 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.734 5.162 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.283 6.095 3.237 1.00 0.00 H new ATOM 539 N CYS A 36 -9.410 8.452 2.069 1.00 0.00 N ATOM 540 CA CYS A 36 -8.300 9.373 1.912 1.00 0.00 C ATOM 541 C CYS A 36 -8.694 10.563 1.007 1.00 0.00 C ATOM 542 O CYS A 36 -8.144 11.663 1.121 1.00 0.00 O ATOM 543 CB CYS A 36 -7.112 8.535 1.441 1.00 0.00 C ATOM 544 SG CYS A 36 -5.542 9.384 1.686 1.00 0.00 S ATOM 0 H CYS A 36 -9.282 7.561 1.589 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.013 9.863 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.100 7.589 1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.234 8.297 0.384 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.063 9.752 0.535 1.00 0.00 H new ATOM 550 N SER A 37 -9.759 10.397 0.210 1.00 0.00 N ATOM 551 CA SER A 37 -10.475 11.449 -0.510 1.00 0.00 C ATOM 552 C SER A 37 -10.913 12.608 0.401 1.00 0.00 C ATOM 553 O SER A 37 -11.215 13.703 -0.078 1.00 0.00 O ATOM 554 CB SER A 37 -11.734 10.822 -1.129 1.00 0.00 C ATOM 555 OG SER A 37 -11.991 11.250 -2.451 1.00 0.00 O ATOM 0 H SER A 37 -10.162 9.475 0.044 1.00 0.00 H new ATOM 0 HA SER A 37 -9.799 11.860 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.630 9.737 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.594 11.064 -0.505 1.00 0.00 H new ATOM 0 HG SER A 37 -12.802 10.813 -2.784 1.00 0.00 H new ATOM 561 N LYS A 38 -11.020 12.404 1.717 1.00 0.00 N ATOM 562 CA LYS A 38 -11.524 13.411 2.650 1.00 0.00 C ATOM 563 C LYS A 38 -10.600 14.610 2.821 1.00 0.00 C ATOM 564 O LYS A 38 -11.030 15.593 3.429 1.00 0.00 O ATOM 565 CB LYS A 38 -11.821 12.734 3.990 1.00 0.00 C ATOM 566 CG LYS A 38 -13.111 11.917 3.859 1.00 0.00 C ATOM 567 CD LYS A 38 -13.335 11.025 5.084 1.00 0.00 C ATOM 568 CE LYS A 38 -14.813 10.686 5.308 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.568 11.866 5.767 1.00 0.00 N ATOM 0 H LYS A 38 -10.757 11.527 2.167 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.439 13.826 2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.992 12.087 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.927 13.483 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.959 12.591 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.063 11.300 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.769 10.101 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.943 11.526 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.247 10.311 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.898 9.888 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.472 11.560 6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.013 12.376 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.752 12.496 4.960 1.00 0.00 H new ATOM 583 N TYR A 39 -9.380 14.562 2.292 1.00 0.00 N ATOM 584 CA TYR A 39 -8.360 15.591 2.505 1.00 0.00 C ATOM 585 C TYR A 39 -7.714 16.074 1.207 1.00 0.00 C ATOM 586 O TYR A 39 -6.816 16.915 1.256 1.00 0.00 O ATOM 587 CB TYR A 39 -7.282 15.054 3.456 1.00 0.00 C ATOM 588 CG TYR A 39 -7.841 14.420 4.707 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.190 15.207 5.821 1.00 0.00 C ATOM 590 CD2 TYR A 39 -8.093 13.040 4.714 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.774 14.609 6.957 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.694 12.448 5.830 1.00 0.00 C ATOM 593 CZ TYR A 39 -9.040 13.218 6.961 1.00 0.00 C ATOM 594 OH TYR A 39 -9.615 12.608 8.034 1.00 0.00 O ATOM 0 H TYR A 39 -9.066 13.797 1.695 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.862 16.453 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.675 14.319 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.618 15.871 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.010 16.272 5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.824 12.436 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.017 15.210 7.821 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.896 11.387 5.826 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.719 11.651 7.849 1.00 0.00 H new ATOM 604 N GLY A 40 -8.136 15.566 0.053 1.00 0.00 N ATOM 605 CA GLY A 40 -7.470 15.785 -1.215 1.00 0.00 C ATOM 606 C GLY A 40 -8.142 14.908 -2.253 1.00 0.00 C ATOM 607 O GLY A 40 -9.367 14.759 -2.234 1.00 0.00 O ATOM 0 H GLY A 40 -8.967 14.980 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.534 16.834 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.411 15.540 -1.137 1.00 0.00 H new ATOM 611 N LEU A 41 -7.340 14.310 -3.125 1.00 0.00 N ATOM 612 CA LEU A 41 -7.742 13.370 -4.152 1.00 0.00 C ATOM 613 C LEU A 41 -6.623 12.350 -4.255 1.00 0.00 C ATOM 614 O LEU A 41 -5.472 12.722 -4.481 1.00 0.00 O ATOM 615 CB LEU A 41 -7.955 14.134 -5.464 1.00 0.00 C ATOM 616 CG LEU A 41 -8.287 13.300 -6.712 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.050 12.747 -7.432 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.320 12.210 -6.429 1.00 0.00 C ATOM 0 H LEU A 41 -6.334 14.481 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.679 12.862 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.762 14.851 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.053 14.709 -5.671 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.744 14.002 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.363 12.170 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.416 13.574 -7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.490 12.104 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.519 11.651 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.935 11.533 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.244 12.667 -6.076 1.00 0.00 H new ATOM 630 N VAL A 42 -6.948 11.081 -4.039 1.00 0.00 N ATOM 631 CA VAL A 42 -6.064 9.962 -4.296 1.00 0.00 C ATOM 632 C VAL A 42 -6.011 9.777 -5.807 1.00 0.00 C ATOM 633 O VAL A 42 -7.045 9.573 -6.458 1.00 0.00 O ATOM 634 CB VAL A 42 -6.589 8.702 -3.603 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.717 7.479 -3.915 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.682 8.899 -2.089 1.00 0.00 C ATOM 0 H VAL A 42 -7.857 10.800 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.065 10.149 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.589 8.520 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.121 6.604 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.710 7.302 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.699 7.661 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.058 7.987 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.694 9.128 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.361 9.723 -1.870 1.00 0.00 H new ATOM 646 N LYS A 43 -4.812 9.880 -6.364 1.00 0.00 N ATOM 647 CA LYS A 43 -4.560 9.714 -7.780 1.00 0.00 C ATOM 648 C LYS A 43 -4.590 8.225 -8.129 1.00 0.00 C ATOM 649 O LYS A 43 -5.422 7.809 -8.930 1.00 0.00 O ATOM 650 CB LYS A 43 -3.239 10.419 -8.115 1.00 0.00 C ATOM 651 CG LYS A 43 -3.151 10.685 -9.615 1.00 0.00 C ATOM 652 CD LYS A 43 -1.942 11.561 -9.938 1.00 0.00 C ATOM 653 CE LYS A 43 -1.936 11.867 -11.437 1.00 0.00 C ATOM 654 NZ LYS A 43 -0.698 12.566 -11.821 1.00 0.00 N ATOM 0 H LYS A 43 -3.970 10.086 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.332 10.176 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.170 11.359 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.398 9.802 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.076 9.740 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.063 11.175 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.984 12.487 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.021 11.052 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.026 10.940 -12.003 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.800 12.481 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.714 12.764 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.627 13.461 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.122 11.967 -11.597 1.00 0.00 H new ATOM 668 N SER A 44 -3.739 7.428 -7.485 1.00 0.00 N ATOM 669 CA SER A 44 -3.695 5.980 -7.608 1.00 0.00 C ATOM 670 C SER A 44 -3.075 5.382 -6.342 1.00 0.00 C ATOM 671 O SER A 44 -2.616 6.110 -5.455 1.00 0.00 O ATOM 672 CB SER A 44 -2.897 5.599 -8.865 1.00 0.00 C ATOM 673 OG SER A 44 -3.783 5.127 -9.862 1.00 0.00 O ATOM 0 H SER A 44 -3.037 7.791 -6.840 1.00 0.00 H new ATOM 0 HA SER A 44 -4.702 5.577 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.345 6.463 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.162 4.831 -8.623 1.00 0.00 H new ATOM 0 HG SER A 44 -3.274 4.886 -10.664 1.00 0.00 H new ATOM 679 N ILE A 45 -3.111 4.050 -6.233 1.00 0.00 N ATOM 680 CA ILE A 45 -2.590 3.288 -5.110 1.00 0.00 C ATOM 681 C ILE A 45 -1.857 2.092 -5.714 1.00 0.00 C ATOM 682 O ILE A 45 -2.458 1.256 -6.389 1.00 0.00 O ATOM 683 CB ILE A 45 -3.718 2.842 -4.150 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.534 4.011 -3.568 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.125 2.085 -2.956 1.00 0.00 C ATOM 686 CD1 ILE A 45 -5.991 3.613 -3.301 1.00 0.00 C ATOM 0 H ILE A 45 -3.521 3.457 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.917 3.894 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.378 2.219 -4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.074 4.348 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.508 4.852 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.928 1.776 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.590 1.205 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.435 2.736 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.532 4.466 -2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.460 3.301 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.018 2.789 -2.588 1.00 0.00 H new ATOM 698 N GLU A 46 -0.560 2.013 -5.464 1.00 0.00 N ATOM 699 CA GLU A 46 0.292 0.883 -5.850 1.00 0.00 C ATOM 700 C GLU A 46 0.305 -0.131 -4.693 1.00 0.00 C ATOM 701 O GLU A 46 0.618 0.228 -3.555 1.00 0.00 O ATOM 702 CB GLU A 46 1.695 1.403 -6.211 1.00 0.00 C ATOM 703 CG GLU A 46 2.698 0.317 -6.632 1.00 0.00 C ATOM 704 CD GLU A 46 2.361 -0.373 -7.957 1.00 0.00 C ATOM 705 OE1 GLU A 46 2.667 0.150 -9.059 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.751 -1.460 -7.942 1.00 0.00 O ATOM 0 H GLU A 46 -0.051 2.749 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.092 0.374 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.602 2.125 -7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.100 1.939 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.689 0.765 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.750 -0.437 -5.846 1.00 0.00 H new ATOM 713 N ILE A 47 -0.102 -1.379 -4.954 1.00 0.00 N ATOM 714 CA ILE A 47 -0.192 -2.488 -4.006 1.00 0.00 C ATOM 715 C ILE A 47 0.425 -3.701 -4.722 1.00 0.00 C ATOM 716 O ILE A 47 -0.273 -4.413 -5.442 1.00 0.00 O ATOM 717 CB ILE A 47 -1.651 -2.760 -3.559 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.381 -1.461 -3.173 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.670 -3.800 -2.421 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.781 -1.686 -2.607 1.00 0.00 C ATOM 0 H ILE A 47 -0.395 -1.655 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 47 0.342 -2.258 -3.084 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.200 -3.176 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.783 -0.924 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.453 -0.821 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.699 -3.984 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.224 -4.731 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.100 -3.421 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.232 -0.725 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.396 -2.194 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.716 -2.299 -1.708 1.00 0.00 H new ATOM 732 N PRO A 48 1.748 -3.902 -4.665 1.00 0.00 N ATOM 733 CA PRO A 48 2.368 -5.056 -5.303 1.00 0.00 C ATOM 734 C PRO A 48 1.827 -6.359 -4.697 1.00 0.00 C ATOM 735 O PRO A 48 1.332 -6.374 -3.567 1.00 0.00 O ATOM 736 CB PRO A 48 3.874 -4.878 -5.092 1.00 0.00 C ATOM 737 CG PRO A 48 3.996 -3.955 -3.881 1.00 0.00 C ATOM 738 CD PRO A 48 2.707 -3.144 -3.880 1.00 0.00 C ATOM 0 HA PRO A 48 2.142 -5.121 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.363 -5.835 -4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.347 -4.440 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.106 -4.525 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.870 -3.309 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.344 -2.992 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.869 -2.156 -4.312 1.00 0.00 H new ATOM 746 N ARG A 49 1.938 -7.473 -5.420 1.00 0.00 N ATOM 747 CA ARG A 49 1.480 -8.783 -4.972 1.00 0.00 C ATOM 748 C ARG A 49 2.653 -9.776 -5.007 1.00 0.00 C ATOM 749 O ARG A 49 3.700 -9.453 -5.588 1.00 0.00 O ATOM 750 CB ARG A 49 0.346 -9.200 -5.916 1.00 0.00 C ATOM 751 CG ARG A 49 -0.973 -8.424 -5.724 1.00 0.00 C ATOM 752 CD ARG A 49 -1.570 -7.936 -7.047 1.00 0.00 C ATOM 753 NE ARG A 49 -2.112 -9.053 -7.830 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.528 -9.056 -9.098 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.312 -8.022 -9.903 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.162 -10.124 -9.549 1.00 0.00 N ATOM 0 H ARG A 49 2.357 -7.488 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 49 1.114 -8.762 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.682 -9.069 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.149 -10.263 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.696 -9.064 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.795 -7.568 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.360 -7.212 -6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.804 -7.421 -7.626 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.180 -9.945 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.818 -7.200 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.640 -8.050 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.323 -10.920 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.491 -10.152 -10.514 1.00 0.00 H new ATOM 770 N PRO A 50 2.526 -10.945 -4.355 1.00 0.00 N ATOM 771 CA PRO A 50 3.490 -12.030 -4.437 1.00 0.00 C ATOM 772 C PRO A 50 3.278 -12.784 -5.742 1.00 0.00 C ATOM 773 O PRO A 50 2.179 -13.256 -6.045 1.00 0.00 O ATOM 774 CB PRO A 50 3.230 -12.906 -3.221 1.00 0.00 C ATOM 775 CG PRO A 50 1.755 -12.687 -2.892 1.00 0.00 C ATOM 776 CD PRO A 50 1.425 -11.312 -3.477 1.00 0.00 C ATOM 0 HA PRO A 50 4.524 -11.685 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.436 -13.954 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.869 -12.622 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.131 -13.465 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.582 -12.711 -1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.486 -11.344 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.303 -10.575 -2.683 1.00 0.00 H new ATOM 784 N VAL A 51 4.352 -12.883 -6.513 1.00 0.00 N ATOM 785 CA VAL A 51 4.376 -13.596 -7.787 1.00 0.00 C ATOM 786 C VAL A 51 4.299 -15.083 -7.466 1.00 0.00 C ATOM 787 O VAL A 51 5.257 -15.639 -6.948 1.00 0.00 O ATOM 788 CB VAL A 51 5.647 -13.250 -8.588 1.00 0.00 C ATOM 789 CG1 VAL A 51 5.666 -13.961 -9.948 1.00 0.00 C ATOM 790 CG2 VAL A 51 5.760 -11.734 -8.825 1.00 0.00 C ATOM 0 H VAL A 51 5.249 -12.463 -6.268 1.00 0.00 H new ATOM 0 HA VAL A 51 3.534 -13.303 -8.414 1.00 0.00 H new ATOM 0 HB VAL A 51 6.493 -13.591 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.576 -13.694 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.638 -15.040 -9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.797 -13.655 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.666 -11.521 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.891 -11.388 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.803 -11.218 -7.866 1.00 0.00 H new ATOM 800 N ASP A 52 3.158 -15.723 -7.713 1.00 0.00 N ATOM 801 CA ASP A 52 2.937 -17.149 -7.455 1.00 0.00 C ATOM 802 C ASP A 52 3.249 -17.582 -6.017 1.00 0.00 C ATOM 803 O ASP A 52 3.498 -18.748 -5.728 1.00 0.00 O ATOM 804 CB ASP A 52 3.679 -17.973 -8.513 1.00 0.00 C ATOM 805 CG ASP A 52 3.095 -19.375 -8.684 1.00 0.00 C ATOM 806 OD1 ASP A 52 1.963 -19.496 -9.196 1.00 0.00 O ATOM 807 OD2 ASP A 52 3.819 -20.367 -8.437 1.00 0.00 O ATOM 0 H ASP A 52 2.341 -15.256 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 52 1.868 -17.344 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.641 -17.449 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.730 -18.053 -8.234 1.00 0.00 H new ATOM 812 N GLY A 53 3.167 -16.625 -5.096 1.00 0.00 N ATOM 813 CA GLY A 53 3.439 -16.801 -3.673 1.00 0.00 C ATOM 814 C GLY A 53 4.913 -16.653 -3.291 1.00 0.00 C ATOM 815 O GLY A 53 5.292 -17.018 -2.180 1.00 0.00 O ATOM 0 H GLY A 53 2.899 -15.669 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.855 -16.072 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.094 -17.789 -3.369 1.00 0.00 H new ATOM 819 N VAL A 54 5.755 -16.129 -4.185 1.00 0.00 N ATOM 820 CA VAL A 54 7.130 -15.760 -3.861 1.00 0.00 C ATOM 821 C VAL A 54 7.169 -14.568 -2.900 1.00 0.00 C ATOM 822 O VAL A 54 6.256 -13.735 -2.893 1.00 0.00 O ATOM 823 CB VAL A 54 7.891 -15.466 -5.163 1.00 0.00 C ATOM 824 CG1 VAL A 54 7.693 -14.032 -5.627 1.00 0.00 C ATOM 825 CG2 VAL A 54 9.376 -15.805 -5.056 1.00 0.00 C ATOM 0 H VAL A 54 5.499 -15.949 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 54 7.617 -16.590 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 54 7.462 -16.122 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.249 -13.868 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.633 -13.850 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.055 -13.348 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.870 -15.580 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.828 -15.213 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.492 -16.865 -4.830 1.00 0.00 H new ATOM 835 N GLU A 55 8.307 -14.385 -2.233 1.00 0.00 N ATOM 836 CA GLU A 55 8.695 -13.096 -1.670 1.00 0.00 C ATOM 837 C GLU A 55 9.306 -12.211 -2.772 1.00 0.00 C ATOM 838 O GLU A 55 10.216 -12.617 -3.508 1.00 0.00 O ATOM 839 CB GLU A 55 9.618 -13.251 -0.460 1.00 0.00 C ATOM 840 CG GLU A 55 11.026 -13.656 -0.893 1.00 0.00 C ATOM 841 CD GLU A 55 11.803 -14.473 0.124 1.00 0.00 C ATOM 842 OE1 GLU A 55 11.367 -15.613 0.406 1.00 0.00 O ATOM 843 OE2 GLU A 55 12.927 -14.046 0.485 1.00 0.00 O ATOM 0 H GLU A 55 8.986 -15.128 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 55 7.802 -12.598 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.660 -12.312 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.212 -14.002 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.954 -14.229 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.593 -12.753 -1.120 1.00 0.00 H new ATOM 850 N VAL A 56 8.810 -10.986 -2.883 1.00 0.00 N ATOM 851 CA VAL A 56 9.348 -9.924 -3.728 1.00 0.00 C ATOM 852 C VAL A 56 9.756 -8.729 -2.858 1.00 0.00 C ATOM 853 O VAL A 56 9.203 -8.556 -1.766 1.00 0.00 O ATOM 854 CB VAL A 56 8.324 -9.501 -4.804 1.00 0.00 C ATOM 855 CG1 VAL A 56 8.664 -10.142 -6.154 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.861 -9.807 -4.486 1.00 0.00 C ATOM 0 H VAL A 56 7.984 -10.690 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 56 10.230 -10.300 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 56 8.412 -8.415 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.931 -9.832 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.658 -9.823 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.645 -11.227 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.231 -9.468 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.735 -10.881 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.572 -9.290 -3.571 1.00 0.00 H new ATOM 866 N PRO A 57 10.680 -7.869 -3.320 1.00 0.00 N ATOM 867 CA PRO A 57 11.046 -6.669 -2.592 1.00 0.00 C ATOM 868 C PRO A 57 9.869 -5.693 -2.624 1.00 0.00 C ATOM 869 O PRO A 57 9.207 -5.510 -3.655 1.00 0.00 O ATOM 870 CB PRO A 57 12.281 -6.113 -3.305 1.00 0.00 C ATOM 871 CG PRO A 57 12.060 -6.557 -4.748 1.00 0.00 C ATOM 872 CD PRO A 57 11.393 -7.926 -4.588 1.00 0.00 C ATOM 0 HA PRO A 57 11.274 -6.854 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.344 -5.028 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.205 -6.519 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.424 -5.859 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.999 -6.627 -5.297 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.710 -8.128 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.134 -8.725 -4.585 1.00 0.00 H new ATOM 880 N GLY A 58 9.595 -5.082 -1.478 1.00 0.00 N ATOM 881 CA GLY A 58 8.590 -4.039 -1.341 1.00 0.00 C ATOM 882 C GLY A 58 7.193 -4.597 -1.123 1.00 0.00 C ATOM 883 O GLY A 58 6.238 -3.830 -1.002 1.00 0.00 O ATOM 0 H GLY A 58 10.073 -5.302 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.854 -3.393 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.593 -3.417 -2.236 1.00 0.00 H new ATOM 887 N CYS A 59 7.061 -5.919 -1.028 1.00 0.00 N ATOM 888 CA CYS A 59 5.802 -6.538 -0.690 1.00 0.00 C ATOM 889 C CYS A 59 5.444 -6.199 0.764 1.00 0.00 C ATOM 890 O CYS A 59 6.325 -6.148 1.628 1.00 0.00 O ATOM 891 CB CYS A 59 5.921 -8.050 -0.934 1.00 0.00 C ATOM 892 SG CYS A 59 4.303 -8.694 -1.449 1.00 0.00 S ATOM 0 H CYS A 59 7.824 -6.578 -1.184 1.00 0.00 H new ATOM 0 HA CYS A 59 4.993 -6.160 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.668 -8.250 -1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.255 -8.553 -0.026 1.00 0.00 H new ATOM 0 HG CYS A 59 4.393 -9.974 -1.661 1.00 0.00 H new ATOM 898 N GLY A 60 4.165 -5.960 1.037 1.00 0.00 N ATOM 899 CA GLY A 60 3.607 -5.611 2.339 1.00 0.00 C ATOM 900 C GLY A 60 3.270 -4.125 2.446 1.00 0.00 C ATOM 901 O GLY A 60 2.395 -3.745 3.225 1.00 0.00 O ATOM 0 H GLY A 60 3.448 -6.008 0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.706 -6.199 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.319 -5.877 3.120 1.00 0.00 H new ATOM 905 N LYS A 61 3.936 -3.267 1.666 1.00 0.00 N ATOM 906 CA LYS A 61 3.771 -1.819 1.735 1.00 0.00 C ATOM 907 C LYS A 61 2.788 -1.381 0.659 1.00 0.00 C ATOM 908 O LYS A 61 2.613 -2.066 -0.347 1.00 0.00 O ATOM 909 CB LYS A 61 5.115 -1.099 1.540 1.00 0.00 C ATOM 910 CG LYS A 61 6.250 -1.592 2.453 1.00 0.00 C ATOM 911 CD LYS A 61 7.099 -2.681 1.774 1.00 0.00 C ATOM 912 CE LYS A 61 8.331 -3.020 2.621 1.00 0.00 C ATOM 913 NZ LYS A 61 8.545 -4.473 2.752 1.00 0.00 N ATOM 0 H LYS A 61 4.611 -3.566 0.963 1.00 0.00 H new ATOM 0 HA LYS A 61 3.389 -1.555 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.426 -1.216 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.968 -0.033 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.888 -0.751 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.828 -1.985 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.497 -3.577 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.413 -2.341 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.213 -2.565 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.218 -2.582 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.611 -4.725 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.748 -4.982 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.427 -4.739 2.270 1.00 0.00 H new ATOM 927 N ILE A 62 2.163 -0.230 0.848 1.00 0.00 N ATOM 928 CA ILE A 62 1.290 0.419 -0.114 1.00 0.00 C ATOM 929 C ILE A 62 1.881 1.804 -0.337 1.00 0.00 C ATOM 930 O ILE A 62 2.410 2.420 0.594 1.00 0.00 O ATOM 931 CB ILE A 62 -0.164 0.438 0.419 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.721 -1.000 0.323 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.034 1.446 -0.355 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.230 -1.122 0.548 1.00 0.00 C ATOM 0 H ILE A 62 2.255 0.300 1.715 1.00 0.00 H new ATOM 0 HA ILE A 62 1.234 -0.107 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.179 0.768 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.481 -1.402 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.207 -1.623 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.048 1.434 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.614 2.446 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.057 1.172 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.528 -2.167 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.480 -0.755 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.758 -0.531 -0.200 1.00 0.00 H new ATOM 946 N PHE A 63 1.771 2.308 -1.563 1.00 0.00 N ATOM 947 CA PHE A 63 2.162 3.662 -1.914 1.00 0.00 C ATOM 948 C PHE A 63 0.919 4.321 -2.484 1.00 0.00 C ATOM 949 O PHE A 63 0.459 3.967 -3.572 1.00 0.00 O ATOM 950 CB PHE A 63 3.361 3.644 -2.865 1.00 0.00 C ATOM 951 CG PHE A 63 4.516 2.844 -2.298 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.500 1.444 -2.428 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.518 3.464 -1.528 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.454 0.659 -1.765 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.498 2.676 -0.897 1.00 0.00 C ATOM 956 CZ PHE A 63 6.468 1.274 -1.011 1.00 0.00 C ATOM 0 H PHE A 63 1.401 1.775 -2.350 1.00 0.00 H new ATOM 0 HA PHE A 63 2.508 4.240 -1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.059 3.219 -3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.687 4.666 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.748 0.971 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.534 4.539 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.410 -0.418 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.279 3.151 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.220 0.673 -0.522 1.00 0.00 H new ATOM 966 N VAL A 64 0.302 5.187 -1.686 1.00 0.00 N ATOM 967 CA VAL A 64 -0.801 6.026 -2.132 1.00 0.00 C ATOM 968 C VAL A 64 -0.167 7.213 -2.865 1.00 0.00 C ATOM 969 O VAL A 64 0.970 7.603 -2.569 1.00 0.00 O ATOM 970 CB VAL A 64 -1.678 6.387 -0.908 1.00 0.00 C ATOM 971 CG1 VAL A 64 -0.916 7.166 0.171 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.971 7.144 -1.213 1.00 0.00 C ATOM 0 H VAL A 64 0.555 5.326 -0.708 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.483 5.540 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.957 5.399 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.586 7.388 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.080 6.566 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.539 8.098 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.504 7.343 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.733 8.087 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.599 6.542 -1.869 1.00 0.00 H new ATOM 982 N GLU A 65 -0.891 7.820 -3.795 1.00 0.00 N ATOM 983 CA GLU A 65 -0.437 8.927 -4.625 1.00 0.00 C ATOM 984 C GLU A 65 -1.534 9.992 -4.591 1.00 0.00 C ATOM 985 O GLU A 65 -2.714 9.641 -4.516 1.00 0.00 O ATOM 986 CB GLU A 65 -0.234 8.367 -6.038 1.00 0.00 C ATOM 987 CG GLU A 65 0.691 9.187 -6.949 1.00 0.00 C ATOM 988 CD GLU A 65 0.446 8.944 -8.444 1.00 0.00 C ATOM 989 OE1 GLU A 65 -0.392 8.094 -8.822 1.00 0.00 O ATOM 990 OE2 GLU A 65 1.160 9.589 -9.250 1.00 0.00 O ATOM 0 H GLU A 65 -1.851 7.543 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 65 0.496 9.374 -4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.169 7.357 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.208 8.283 -6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.554 10.247 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.728 8.945 -6.714 1.00 0.00 H new ATOM 997 N PHE A 66 -1.178 11.276 -4.661 1.00 0.00 N ATOM 998 CA PHE A 66 -2.147 12.378 -4.691 1.00 0.00 C ATOM 999 C PHE A 66 -1.848 13.321 -5.851 1.00 0.00 C ATOM 1000 O PHE A 66 -0.839 13.180 -6.540 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.146 13.177 -3.381 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.416 12.391 -2.120 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.728 12.167 -1.667 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -1.334 11.929 -1.362 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -3.947 11.496 -0.456 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -1.549 11.257 -0.148 1.00 0.00 C ATOM 1007 CZ PHE A 66 -2.857 11.035 0.301 1.00 0.00 C ATOM 0 H PHE A 66 -0.206 11.584 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.133 11.931 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.177 13.666 -3.279 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.894 13.965 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.567 12.512 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.326 12.091 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.955 11.333 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.709 10.913 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.028 10.510 1.229 1.00 0.00 H new ATOM 1017 N THR A 67 -2.724 14.303 -6.052 1.00 0.00 N ATOM 1018 CA THR A 67 -2.581 15.325 -7.076 1.00 0.00 C ATOM 1019 C THR A 67 -1.556 16.408 -6.746 1.00 0.00 C ATOM 1020 O THR A 67 -1.065 17.051 -7.676 1.00 0.00 O ATOM 1021 CB THR A 67 -3.963 15.940 -7.341 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.784 15.997 -6.177 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.676 15.042 -8.357 1.00 0.00 C ATOM 0 H THR A 67 -3.570 14.409 -5.493 1.00 0.00 H new ATOM 0 HA THR A 67 -2.190 14.839 -7.970 1.00 0.00 H new ATOM 0 HB THR A 67 -3.811 16.961 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.458 16.703 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.665 15.448 -8.571 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.094 15.000 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.778 14.037 -7.946 1.00 0.00 H new ATOM 1031 N SER A 68 -1.222 16.630 -5.469 1.00 0.00 N ATOM 1032 CA SER A 68 -0.230 17.625 -5.102 1.00 0.00 C ATOM 1033 C SER A 68 0.457 17.260 -3.790 1.00 0.00 C ATOM 1034 O SER A 68 -0.088 16.518 -2.966 1.00 0.00 O ATOM 1035 CB SER A 68 -0.900 19.004 -5.024 1.00 0.00 C ATOM 1036 OG SER A 68 -1.825 19.073 -3.958 1.00 0.00 O ATOM 0 H SER A 68 -1.629 16.130 -4.679 1.00 0.00 H new ATOM 0 HA SER A 68 0.547 17.655 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.138 19.773 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.410 19.215 -5.964 1.00 0.00 H new ATOM 0 HG SER A 68 -2.686 18.705 -4.247 1.00 0.00 H new ATOM 1042 N VAL A 69 1.615 17.879 -3.554 1.00 0.00 N ATOM 1043 CA VAL A 69 2.342 17.801 -2.290 1.00 0.00 C ATOM 1044 C VAL A 69 1.565 18.541 -1.170 1.00 0.00 C ATOM 1045 O VAL A 69 1.846 18.378 0.018 1.00 0.00 O ATOM 1046 CB VAL A 69 3.769 18.367 -2.477 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.676 18.011 -1.291 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.477 17.820 -3.730 1.00 0.00 C ATOM 0 H VAL A 69 2.081 18.459 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 69 2.430 16.759 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 69 3.624 19.444 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.671 18.425 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.257 18.428 -0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.745 16.927 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.473 18.256 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.559 16.736 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.900 18.081 -4.617 1.00 0.00 H new ATOM 1058 N PHE A 70 0.561 19.356 -1.515 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.328 19.970 -0.535 1.00 0.00 C ATOM 1060 C PHE A 70 -1.325 18.939 -0.022 1.00 0.00 C ATOM 1061 O PHE A 70 -1.521 18.833 1.188 1.00 0.00 O ATOM 1062 CB PHE A 70 -1.070 21.153 -1.162 1.00 0.00 C ATOM 1063 CG PHE A 70 -0.313 22.459 -1.090 1.00 0.00 C ATOM 1064 CD1 PHE A 70 0.771 22.693 -1.957 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.684 23.439 -0.148 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.481 23.901 -1.881 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.032 24.647 -0.073 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.115 24.872 -0.939 1.00 0.00 C ATOM 0 H PHE A 70 0.346 19.605 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 70 0.267 20.335 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.281 20.924 -2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.031 21.273 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.056 21.943 -2.680 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.517 23.263 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.310 24.083 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.250 25.400 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.668 25.798 -0.879 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.964 18.202 -0.934 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.022 17.251 -0.601 1.00 0.00 C ATOM 1080 C ASP A 71 -2.482 16.206 0.373 1.00 0.00 C ATOM 1081 O ASP A 71 -3.133 15.876 1.367 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.576 16.568 -1.865 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.179 17.541 -2.881 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.846 18.518 -2.462 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -3.880 17.395 -4.089 1.00 0.00 O ATOM 0 H ASP A 71 -1.758 18.251 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.842 17.795 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.774 16.008 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.338 15.846 -1.572 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.256 15.733 0.133 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.646 14.673 0.909 1.00 0.00 C ATOM 1092 C CYS A 72 -0.343 15.169 2.326 1.00 0.00 C ATOM 1093 O CYS A 72 -0.599 14.444 3.281 1.00 0.00 O ATOM 1094 CB CYS A 72 0.618 14.165 0.206 1.00 0.00 C ATOM 1095 SG CYS A 72 1.939 15.385 0.139 1.00 0.00 S ATOM 0 H CYS A 72 -0.660 16.086 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.340 13.837 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.980 13.277 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.363 13.861 -0.809 1.00 0.00 H new ATOM 0 HG CYS A 72 2.978 14.868 -0.447 1.00 0.00 H new ATOM 1101 N GLN A 73 0.142 16.411 2.471 1.00 0.00 N ATOM 1102 CA GLN A 73 0.391 17.076 3.743 1.00 0.00 C ATOM 1103 C GLN A 73 -0.883 17.126 4.597 1.00 0.00 C ATOM 1104 O GLN A 73 -0.794 17.083 5.828 1.00 0.00 O ATOM 1105 CB GLN A 73 0.962 18.488 3.482 1.00 0.00 C ATOM 1106 CG GLN A 73 2.497 18.530 3.466 1.00 0.00 C ATOM 1107 CD GLN A 73 3.035 19.894 3.029 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.203 20.824 3.823 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.298 20.039 1.748 1.00 0.00 N ATOM 0 H GLN A 73 0.378 16.996 1.670 1.00 0.00 H new ATOM 0 HA GLN A 73 1.127 16.505 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.586 18.853 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.595 19.168 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.875 18.294 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.873 17.760 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.153 19.260 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.647 20.931 1.397 1.00 0.00 H new ATOM 1118 N LYS A 74 -2.071 17.204 3.984 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.332 17.242 4.715 1.00 0.00 C ATOM 1120 C LYS A 74 -3.769 15.824 5.059 1.00 0.00 C ATOM 1121 O LYS A 74 -4.169 15.580 6.198 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.420 17.975 3.917 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.925 19.211 3.145 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.867 20.410 3.263 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.370 21.518 2.329 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.180 22.744 2.461 1.00 0.00 N ATOM 0 H LYS A 74 -2.179 17.242 2.970 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.180 17.800 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.867 17.276 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.210 18.283 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.940 19.493 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.807 18.951 2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.884 20.120 2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.896 20.768 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.328 21.744 2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.405 21.168 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.815 23.472 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.170 22.533 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.126 23.092 3.440 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.719 14.897 4.099 1.00 0.00 N ATOM 1141 CA ALA A 75 -4.060 13.496 4.318 1.00 0.00 C ATOM 1142 C ALA A 75 -3.211 12.930 5.458 1.00 0.00 C ATOM 1143 O ALA A 75 -3.771 12.381 6.401 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.851 12.711 3.021 1.00 0.00 C ATOM 0 H ALA A 75 -3.438 15.103 3.141 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.108 13.408 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.106 11.664 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.490 13.122 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.808 12.787 2.714 1.00 0.00 H new ATOM 1150 N MET A 76 -1.891 13.144 5.414 1.00 0.00 N ATOM 1151 CA MET A 76 -0.875 12.645 6.327 1.00 0.00 C ATOM 1152 C MET A 76 -1.346 12.797 7.770 1.00 0.00 C ATOM 1153 O MET A 76 -1.720 11.814 8.394 1.00 0.00 O ATOM 1154 CB MET A 76 0.444 13.383 6.023 1.00 0.00 C ATOM 1155 CG MET A 76 1.529 13.233 7.089 1.00 0.00 C ATOM 1156 SD MET A 76 2.087 11.535 7.368 1.00 0.00 S ATOM 1157 CE MET A 76 3.684 11.632 6.528 1.00 0.00 C ATOM 0 H MET A 76 -1.480 13.717 4.677 1.00 0.00 H new ATOM 0 HA MET A 76 -0.699 11.578 6.187 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.836 13.019 5.073 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.228 14.443 5.893 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.387 13.840 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.153 13.636 8.029 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.983 10.637 6.198 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.601 12.291 5.664 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.433 12.027 7.215 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.374 14.019 8.305 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.725 14.215 9.711 1.00 0.00 C ATOM 1169 C GLN A 77 -3.224 14.011 9.999 1.00 0.00 C ATOM 1170 O GLN A 77 -3.616 13.963 11.164 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.261 15.601 10.188 1.00 0.00 C ATOM 1172 CG GLN A 77 0.242 15.834 9.980 1.00 0.00 C ATOM 1173 CD GLN A 77 0.755 16.938 10.901 1.00 0.00 C ATOM 1174 OE1 GLN A 77 1.013 16.688 12.073 1.00 0.00 O ATOM 1175 NE2 GLN A 77 0.942 18.150 10.399 1.00 0.00 N ATOM 0 H GLN A 77 -1.161 14.876 7.794 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.201 13.444 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.820 16.369 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.498 15.713 11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.787 14.910 10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.432 16.104 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.721 18.337 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.307 18.896 10.991 1.00 0.00 H new ATOM 1184 N GLY A 78 -4.074 13.838 8.982 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.430 13.345 9.186 1.00 0.00 C ATOM 1186 C GLY A 78 -5.416 11.857 9.543 1.00 0.00 C ATOM 1187 O GLY A 78 -6.244 11.388 10.328 1.00 0.00 O ATOM 0 H GLY A 78 -3.841 14.034 8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.912 13.911 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.019 13.502 8.282 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.484 11.101 8.958 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.606 9.664 8.739 1.00 0.00 C ATOM 1193 C LEU A 79 -3.400 8.887 9.282 1.00 0.00 C ATOM 1194 O LEU A 79 -3.396 7.651 9.273 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.856 9.420 7.240 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.143 10.079 6.694 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.210 9.979 5.174 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.374 9.436 7.334 1.00 0.00 C ATOM 0 H LEU A 79 -3.603 11.484 8.616 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.456 9.280 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.002 9.795 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.908 8.346 7.063 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.124 11.137 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.126 10.451 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.348 10.484 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.204 8.930 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.276 9.907 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.391 8.371 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.334 9.570 8.415 1.00 0.00 H new ATOM 1210 N THR A 80 -2.408 9.574 9.846 1.00 0.00 N ATOM 1211 CA THR A 80 -1.453 9.024 10.788 1.00 0.00 C ATOM 1212 C THR A 80 -2.226 8.299 11.892 1.00 0.00 C ATOM 1213 O THR A 80 -3.073 8.898 12.559 1.00 0.00 O ATOM 1214 CB THR A 80 -0.535 10.151 11.308 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.392 10.465 10.285 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.224 9.798 12.594 1.00 0.00 C ATOM 0 H THR A 80 -2.247 10.562 9.649 1.00 0.00 H new ATOM 0 HA THR A 80 -0.797 8.292 10.317 1.00 0.00 H new ATOM 0 HB THR A 80 -1.172 10.998 11.562 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.778 9.638 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.846 10.642 12.893 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.489 9.574 13.387 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.855 8.927 12.417 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.957 7.006 12.088 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.540 6.236 13.179 1.00 0.00 C ATOM 1226 C GLY A 81 -4.000 5.867 12.938 1.00 0.00 C ATOM 1227 O GLY A 81 -4.671 5.436 13.877 1.00 0.00 O ATOM 0 H GLY A 81 -1.328 6.467 11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.960 5.324 13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.464 6.811 14.102 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.537 6.048 11.723 1.00 0.00 N ATOM 1232 CA ARG A 82 -5.889 5.598 11.419 1.00 0.00 C ATOM 1233 C ARG A 82 -5.986 4.080 11.334 1.00 0.00 C ATOM 1234 O ARG A 82 -5.010 3.364 11.557 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.423 6.304 10.158 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.229 7.550 10.519 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.480 7.200 11.333 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.415 8.315 11.391 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.361 9.399 12.162 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -8.422 9.532 13.092 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -10.265 10.344 11.965 1.00 0.00 N ATOM 0 H ARG A 82 -4.055 6.500 10.946 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.535 5.884 12.249 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.589 6.582 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.049 5.615 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.603 8.235 11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.522 8.071 9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.973 6.335 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.188 6.917 12.344 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.214 8.258 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.727 8.797 13.224 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.395 10.369 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.974 10.229 11.241 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.253 11.188 12.538 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.191 3.600 11.026 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.517 2.196 10.885 1.00 0.00 C ATOM 1257 C LYS A 83 -8.031 2.014 9.477 1.00 0.00 C ATOM 1258 O LYS A 83 -9.201 2.268 9.204 1.00 0.00 O ATOM 1259 CB LYS A 83 -8.540 1.752 11.942 1.00 0.00 C ATOM 1260 CG LYS A 83 -8.011 1.891 13.378 1.00 0.00 C ATOM 1261 CD LYS A 83 -9.195 1.900 14.343 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.770 2.059 15.804 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.938 2.178 16.700 1.00 0.00 N ATOM 0 H LYS A 83 -7.993 4.209 10.863 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.641 1.568 11.050 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.447 2.346 11.835 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.816 0.713 11.760 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.339 1.066 13.614 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.435 2.811 13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.869 2.713 14.075 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.755 0.972 14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.167 1.202 16.103 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.141 2.943 15.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.613 2.284 17.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.500 3.010 16.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.525 1.323 16.620 1.00 0.00 H new ATOM 1277 N PHE A 84 -7.140 1.624 8.575 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.493 1.328 7.183 1.00 0.00 C ATOM 1279 C PHE A 84 -7.836 -0.171 7.100 1.00 0.00 C ATOM 1280 O PHE A 84 -7.294 -0.881 6.254 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.343 1.723 6.233 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.041 3.197 5.960 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.441 4.236 6.823 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.346 3.533 4.780 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.144 5.571 6.499 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.039 4.867 4.453 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.449 5.889 5.318 1.00 0.00 C ATOM 0 H PHE A 84 -6.149 1.502 8.783 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.357 1.912 6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.431 1.274 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.542 1.251 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.976 4.007 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.041 2.744 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.453 6.363 7.165 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.496 5.099 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.232 6.920 5.079 1.00 0.00 H new ATOM 1297 N ALA A 85 -8.593 -0.677 8.084 1.00 0.00 N ATOM 1298 CA ALA A 85 -9.295 -1.956 8.143 1.00 0.00 C ATOM 1299 C ALA A 85 -9.856 -2.062 9.559 1.00 0.00 C ATOM 1300 O ALA A 85 -10.953 -1.587 9.868 1.00 0.00 O ATOM 1301 CB ALA A 85 -8.366 -3.137 7.810 1.00 0.00 C ATOM 0 H ALA A 85 -8.740 -0.143 8.941 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.090 -1.999 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.928 -4.069 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.967 -3.013 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.544 -3.166 8.525 1.00 0.00 H new ATOM 1307 N ASN A 86 -9.014 -2.575 10.457 1.00 0.00 N ATOM 1308 CA ASN A 86 -9.316 -2.870 11.854 1.00 0.00 C ATOM 1309 C ASN A 86 -8.079 -2.711 12.745 1.00 0.00 C ATOM 1310 O ASN A 86 -8.184 -2.839 13.962 1.00 0.00 O ATOM 1311 CB ASN A 86 -9.864 -4.309 11.944 1.00 0.00 C ATOM 1312 CG ASN A 86 -11.380 -4.324 12.043 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -11.938 -3.790 13.002 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -12.074 -4.893 11.076 1.00 0.00 N ATOM 0 H ASN A 86 -8.051 -2.808 10.214 1.00 0.00 H new ATOM 0 HA ASN A 86 -10.061 -2.160 12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -9.550 -4.874 11.066 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.437 -4.808 12.814 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.093 -4.896 11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -11.591 -5.330 10.291 1.00 0.00 H new ATOM 1321 N ARG A 87 -6.903 -2.443 12.169 1.00 0.00 N ATOM 1322 CA ARG A 87 -5.615 -2.346 12.853 1.00 0.00 C ATOM 1323 C ARG A 87 -5.044 -0.941 12.683 1.00 0.00 C ATOM 1324 O ARG A 87 -5.704 -0.085 12.106 1.00 0.00 O ATOM 1325 CB ARG A 87 -4.681 -3.396 12.249 1.00 0.00 C ATOM 1326 CG ARG A 87 -5.198 -4.822 12.447 1.00 0.00 C ATOM 1327 CD ARG A 87 -4.229 -5.842 11.830 1.00 0.00 C ATOM 1328 NE ARG A 87 -3.951 -6.990 12.704 1.00 0.00 N ATOM 1329 CZ ARG A 87 -4.771 -8.015 12.949 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -5.979 -8.069 12.396 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -4.357 -8.995 13.743 1.00 0.00 N ATOM 0 H ARG A 87 -6.822 -2.280 11.165 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.729 -2.530 13.921 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.561 -3.201 11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.694 -3.304 12.703 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.319 -5.026 13.511 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.182 -4.924 11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.645 -6.204 10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.291 -5.341 11.592 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.043 -7.005 13.169 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.290 -7.321 11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.595 -8.858 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.425 -8.958 14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.971 -9.785 13.940 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.859 -0.670 13.221 1.00 0.00 N ATOM 1346 CA VAL A 88 -3.242 0.660 13.172 1.00 0.00 C ATOM 1347 C VAL A 88 -2.644 0.903 11.779 1.00 0.00 C ATOM 1348 O VAL A 88 -2.450 -0.041 11.021 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.170 0.819 14.278 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.971 2.305 14.624 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.485 0.066 15.584 1.00 0.00 C ATOM 0 H VAL A 88 -3.294 -1.367 13.706 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.010 1.410 13.358 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.267 0.379 13.856 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.214 2.399 15.403 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.646 2.845 13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.912 2.725 14.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.682 0.232 16.303 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.424 0.433 15.998 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.571 -1.001 15.377 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.307 2.151 11.443 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.623 2.549 10.218 1.00 0.00 C ATOM 1363 C VAL A 89 -0.443 3.450 10.585 1.00 0.00 C ATOM 1364 O VAL A 89 -0.576 4.388 11.373 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.633 3.206 9.253 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.966 3.969 8.101 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.559 2.122 8.667 1.00 0.00 C ATOM 0 H VAL A 89 -2.515 2.945 12.048 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.215 1.687 9.690 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.196 3.934 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.733 4.406 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.337 4.762 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.354 3.283 7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.273 2.583 7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.963 1.388 8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.097 1.627 9.476 1.00 0.00 H new ATOM 1377 N VAL A 90 0.725 3.170 10.008 1.00 0.00 N ATOM 1378 CA VAL A 90 1.879 4.060 10.000 1.00 0.00 C ATOM 1379 C VAL A 90 2.012 4.633 8.594 1.00 0.00 C ATOM 1380 O VAL A 90 1.770 3.944 7.595 1.00 0.00 O ATOM 1381 CB VAL A 90 3.171 3.351 10.455 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.299 3.349 11.977 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.262 1.907 9.971 1.00 0.00 C ATOM 0 H VAL A 90 0.897 2.291 9.520 1.00 0.00 H new ATOM 0 HA VAL A 90 1.725 4.864 10.720 1.00 0.00 H new ATOM 0 HB VAL A 90 3.983 3.922 10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.220 2.842 12.264 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.322 4.376 12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.447 2.828 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.193 1.463 10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.418 1.338 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.240 1.886 8.881 1.00 0.00 H new ATOM 1393 N THR A 91 2.411 5.894 8.561 1.00 0.00 N ATOM 1394 CA THR A 91 2.652 6.714 7.394 1.00 0.00 C ATOM 1395 C THR A 91 4.153 7.017 7.345 1.00 0.00 C ATOM 1396 O THR A 91 4.850 6.991 8.370 1.00 0.00 O ATOM 1397 CB THR A 91 1.813 8.006 7.510 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.859 8.502 8.839 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.341 7.779 7.172 1.00 0.00 C ATOM 0 H THR A 91 2.588 6.409 9.423 1.00 0.00 H new ATOM 0 HA THR A 91 2.360 6.208 6.474 1.00 0.00 H new ATOM 0 HB THR A 91 2.244 8.711 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.384 9.329 8.862 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.204 8.718 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.255 7.414 6.149 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.080 7.043 7.857 1.00 0.00 H new ATOM 1407 N LYS A 92 4.657 7.328 6.154 1.00 0.00 N ATOM 1408 CA LYS A 92 5.993 7.862 5.911 1.00 0.00 C ATOM 1409 C LYS A 92 5.876 8.743 4.673 1.00 0.00 C ATOM 1410 O LYS A 92 5.116 8.389 3.771 1.00 0.00 O ATOM 1411 CB LYS A 92 6.962 6.703 5.613 1.00 0.00 C ATOM 1412 CG LYS A 92 7.946 6.360 6.738 1.00 0.00 C ATOM 1413 CD LYS A 92 8.941 5.341 6.165 1.00 0.00 C ATOM 1414 CE LYS A 92 10.020 4.891 7.153 1.00 0.00 C ATOM 1415 NZ LYS A 92 11.014 4.039 6.465 1.00 0.00 N ATOM 0 H LYS A 92 4.121 7.209 5.294 1.00 0.00 H new ATOM 0 HA LYS A 92 6.366 8.417 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.376 5.813 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.532 6.950 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.465 7.254 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.420 5.945 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.390 4.465 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.424 5.775 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.513 5.761 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.564 4.340 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.742 3.738 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.540 3.201 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.459 4.578 5.695 1.00 0.00 H new ATOM 1429 N TYR A 93 6.635 9.834 4.588 1.00 0.00 N ATOM 1430 CA TYR A 93 6.931 10.398 3.275 1.00 0.00 C ATOM 1431 C TYR A 93 7.864 9.423 2.550 1.00 0.00 C ATOM 1432 O TYR A 93 8.655 8.727 3.195 1.00 0.00 O ATOM 1433 CB TYR A 93 7.580 11.786 3.399 1.00 0.00 C ATOM 1434 CG TYR A 93 6.686 12.901 3.924 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.383 13.089 3.414 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.202 13.829 4.849 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.609 14.195 3.798 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.423 14.922 5.264 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.127 15.111 4.739 1.00 0.00 C ATOM 1440 OH TYR A 93 4.443 16.231 5.090 1.00 0.00 O ATOM 0 H TYR A 93 7.043 10.329 5.381 1.00 0.00 H new ATOM 0 HA TYR A 93 6.008 10.532 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.445 11.702 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.953 12.079 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.976 12.371 2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.200 13.700 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.626 14.344 3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.818 15.620 5.987 1.00 0.00 H new ATOM 0 HH TYR A 93 4.960 16.736 5.751 1.00 0.00 H new ATOM 1450 N CYS A 94 7.777 9.387 1.225 1.00 0.00 N ATOM 1451 CA CYS A 94 8.634 8.625 0.326 1.00 0.00 C ATOM 1452 C CYS A 94 9.119 9.564 -0.779 1.00 0.00 C ATOM 1453 O CYS A 94 8.966 10.781 -0.660 1.00 0.00 O ATOM 1454 CB CYS A 94 7.864 7.401 -0.208 1.00 0.00 C ATOM 1455 SG CYS A 94 8.488 5.925 0.650 1.00 0.00 S ATOM 0 H CYS A 94 7.067 9.919 0.722 1.00 0.00 H new ATOM 0 HA CYS A 94 9.512 8.234 0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.794 7.519 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.004 7.303 -1.285 1.00 0.00 H new ATOM 0 HG CYS A 94 8.381 4.891 -0.131 1.00 0.00 H new ATOM 1461 N ASP A 95 9.700 9.017 -1.844 1.00 0.00 N ATOM 1462 CA ASP A 95 10.015 9.757 -3.060 1.00 0.00 C ATOM 1463 C ASP A 95 9.279 9.104 -4.236 1.00 0.00 C ATOM 1464 O ASP A 95 9.017 7.897 -4.184 1.00 0.00 O ATOM 1465 CB ASP A 95 11.534 9.836 -3.277 1.00 0.00 C ATOM 1466 CG ASP A 95 12.093 11.188 -2.832 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.097 12.113 -3.668 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.530 11.325 -1.664 1.00 0.00 O ATOM 0 H ASP A 95 9.968 8.034 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 95 9.673 10.788 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.024 9.037 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.761 9.676 -4.331 1.00 0.00 H new ATOM 1473 N PRO A 96 8.914 9.871 -5.280 1.00 0.00 N ATOM 1474 CA PRO A 96 8.063 9.403 -6.360 1.00 0.00 C ATOM 1475 C PRO A 96 8.823 8.614 -7.419 1.00 0.00 C ATOM 1476 O PRO A 96 8.173 7.866 -8.139 1.00 0.00 O ATOM 1477 CB PRO A 96 7.457 10.663 -6.984 1.00 0.00 C ATOM 1478 CG PRO A 96 8.551 11.689 -6.748 1.00 0.00 C ATOM 1479 CD PRO A 96 9.084 11.306 -5.378 1.00 0.00 C ATOM 0 HA PRO A 96 7.311 8.718 -5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.243 10.531 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.521 10.947 -6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.326 11.636 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.160 12.706 -6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.133 11.584 -5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.538 11.820 -4.587 1.00 0.00 H new ATOM 1487 N ASP A 97 10.154 8.742 -7.528 1.00 0.00 N ATOM 1488 CA ASP A 97 10.931 7.977 -8.522 1.00 0.00 C ATOM 1489 C ASP A 97 10.603 6.495 -8.424 1.00 0.00 C ATOM 1490 O ASP A 97 10.239 5.838 -9.399 1.00 0.00 O ATOM 1491 CB ASP A 97 12.450 8.111 -8.343 1.00 0.00 C ATOM 1492 CG ASP A 97 13.150 7.726 -9.651 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.747 8.228 -10.722 1.00 0.00 O ATOM 1494 OD2 ASP A 97 14.124 6.929 -9.626 1.00 0.00 O ATOM 0 H ASP A 97 10.714 9.364 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 97 10.651 8.394 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.706 9.134 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.790 7.467 -7.532 1.00 0.00 H new ATOM 1499 N SER A 98 10.660 6.011 -7.187 1.00 0.00 N ATOM 1500 CA SER A 98 10.472 4.638 -6.799 1.00 0.00 C ATOM 1501 C SER A 98 8.977 4.252 -6.775 1.00 0.00 C ATOM 1502 O SER A 98 8.622 3.189 -6.265 1.00 0.00 O ATOM 1503 CB SER A 98 11.190 4.431 -5.452 1.00 0.00 C ATOM 1504 OG SER A 98 11.209 5.609 -4.651 1.00 0.00 O ATOM 0 H SER A 98 10.851 6.614 -6.387 1.00 0.00 H new ATOM 0 HA SER A 98 10.912 3.963 -7.534 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.696 3.630 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.214 4.106 -5.637 1.00 0.00 H new ATOM 0 HG SER A 98 11.674 5.424 -3.808 1.00 0.00 H new ATOM 1510 N TYR A 99 8.088 5.132 -7.249 1.00 0.00 N ATOM 1511 CA TYR A 99 6.677 4.875 -7.511 1.00 0.00 C ATOM 1512 C TYR A 99 6.423 4.920 -9.017 1.00 0.00 C ATOM 1513 O TYR A 99 5.646 4.112 -9.523 1.00 0.00 O ATOM 1514 CB TYR A 99 5.800 5.888 -6.758 1.00 0.00 C ATOM 1515 CG TYR A 99 4.313 5.834 -7.081 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.776 6.616 -8.125 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.457 5.009 -6.329 1.00 0.00 C ATOM 1518 CE1 TYR A 99 2.421 6.503 -8.466 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.078 4.955 -6.609 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.557 5.690 -7.698 1.00 0.00 C ATOM 1521 OH TYR A 99 0.230 5.649 -7.993 1.00 0.00 O ATOM 0 H TYR A 99 8.353 6.092 -7.470 1.00 0.00 H new ATOM 0 HA TYR A 99 6.412 3.882 -7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.928 5.728 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.165 6.892 -6.976 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.411 7.304 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.862 4.410 -5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.035 7.040 -9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.422 4.355 -5.995 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.020 6.456 -8.489 1.00 0.00 H new ATOM 1531 N HIS A 100 7.094 5.811 -9.757 1.00 0.00 N ATOM 1532 CA HIS A 100 7.045 5.825 -11.214 1.00 0.00 C ATOM 1533 C HIS A 100 7.511 4.482 -11.777 1.00 0.00 C ATOM 1534 O HIS A 100 7.045 4.080 -12.846 1.00 0.00 O ATOM 1535 CB HIS A 100 7.958 6.912 -11.799 1.00 0.00 C ATOM 1536 CG HIS A 100 7.767 8.317 -11.296 1.00 0.00 C ATOM 1537 ND1 HIS A 100 8.787 9.175 -10.961 1.00 0.00 N ATOM 1538 CD2 HIS A 100 6.587 8.998 -11.165 1.00 0.00 C ATOM 1539 CE1 HIS A 100 8.239 10.338 -10.583 1.00 0.00 C ATOM 1540 NE2 HIS A 100 6.903 10.294 -10.730 1.00 0.00 N ATOM 0 H HIS A 100 7.685 6.540 -9.357 1.00 0.00 H new ATOM 0 HA HIS A 100 6.010 6.025 -11.491 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.992 6.623 -11.608 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.823 6.920 -12.881 1.00 0.00 H new ATOM 0 HD2 HIS A 100 5.598 8.610 -11.360 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.791 11.189 -10.213 1.00 0.00 H new ATOM 0 HE2 HIS A 100 6.246 11.055 -10.558 1.00 0.00 H new ATOM 1548 N ARG A 101 8.437 3.810 -11.083 1.00 0.00 N ATOM 1549 CA ARG A 101 9.008 2.526 -11.467 1.00 0.00 C ATOM 1550 C ARG A 101 8.799 1.526 -10.343 1.00 0.00 C ATOM 1551 O ARG A 101 8.504 1.897 -9.210 1.00 0.00 O ATOM 1552 CB ARG A 101 10.510 2.678 -11.760 1.00 0.00 C ATOM 1553 CG ARG A 101 10.773 3.772 -12.797 1.00 0.00 C ATOM 1554 CD ARG A 101 12.225 3.725 -13.275 1.00 0.00 C ATOM 1555 NE ARG A 101 12.670 5.013 -13.827 1.00 0.00 N ATOM 1556 CZ ARG A 101 12.111 5.710 -14.819 1.00 0.00 C ATOM 1557 NH1 ARG A 101 11.150 5.191 -15.575 1.00 0.00 N ATOM 1558 NH2 ARG A 101 12.545 6.939 -15.046 1.00 0.00 N ATOM 0 H ARG A 101 8.820 4.164 -10.206 1.00 0.00 H new ATOM 0 HA ARG A 101 8.512 2.169 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.039 2.916 -10.837 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.909 1.730 -12.121 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.101 3.645 -13.646 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.559 4.749 -12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.871 3.446 -12.443 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.331 2.950 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 101 13.503 5.422 -13.403 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.824 4.240 -15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.738 5.744 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.289 7.332 -14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.136 7.494 -15.798 1.00 0.00 H new ATOM 1572 N ARG A 102 9.056 0.257 -10.642 1.00 0.00 N ATOM 1573 CA ARG A 102 8.875 -0.891 -9.757 1.00 0.00 C ATOM 1574 C ARG A 102 10.035 -1.017 -8.768 1.00 0.00 C ATOM 1575 O ARG A 102 10.436 -2.121 -8.388 1.00 0.00 O ATOM 1576 CB ARG A 102 8.678 -2.141 -10.632 1.00 0.00 C ATOM 1577 CG ARG A 102 8.149 -3.345 -9.838 1.00 0.00 C ATOM 1578 CD ARG A 102 6.817 -3.819 -10.413 1.00 0.00 C ATOM 1579 NE ARG A 102 6.148 -4.797 -9.543 1.00 0.00 N ATOM 1580 CZ ARG A 102 4.972 -5.370 -9.826 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.385 -5.188 -11.004 1.00 0.00 N ATOM 1582 NH2 ARG A 102 4.360 -6.128 -8.931 1.00 0.00 N ATOM 0 H ARG A 102 9.416 -0.014 -11.557 1.00 0.00 H new ATOM 0 HA ARG A 102 7.988 -0.763 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.982 -1.909 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.627 -2.407 -11.097 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.875 -4.157 -9.870 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.023 -3.071 -8.791 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.162 -2.960 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.985 -4.264 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 102 6.608 -5.055 -8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.831 -4.603 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.489 -5.633 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.784 -6.280 -8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.464 -6.560 -9.156 1.00 0.00 H new ATOM 1596 N ASP A 103 10.677 0.094 -8.430 1.00 0.00 N ATOM 1597 CA ASP A 103 11.822 0.125 -7.542 1.00 0.00 C ATOM 1598 C ASP A 103 11.296 0.219 -6.112 1.00 0.00 C ATOM 1599 O ASP A 103 11.322 1.269 -5.475 1.00 0.00 O ATOM 1600 CB ASP A 103 12.762 1.259 -7.948 1.00 0.00 C ATOM 1601 CG ASP A 103 14.128 1.012 -7.305 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.340 1.246 -6.096 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.939 0.343 -7.987 1.00 0.00 O ATOM 0 H ASP A 103 10.407 1.015 -8.775 1.00 0.00 H new ATOM 0 HA ASP A 103 12.424 -0.781 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.857 1.302 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.359 2.219 -7.625 1.00 0.00 H new ATOM 1608 N PHE A 104 10.703 -0.878 -5.647 1.00 0.00 N ATOM 1609 CA PHE A 104 10.043 -0.975 -4.354 1.00 0.00 C ATOM 1610 C PHE A 104 10.988 -1.688 -3.393 1.00 0.00 C ATOM 1611 O PHE A 104 11.750 -2.556 -3.831 1.00 0.00 O ATOM 1612 CB PHE A 104 8.730 -1.763 -4.514 1.00 0.00 C ATOM 1613 CG PHE A 104 7.799 -1.330 -5.639 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.689 0.026 -6.011 1.00 0.00 C ATOM 1615 CD2 PHE A 104 6.988 -2.287 -6.283 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.781 0.417 -7.009 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.078 -1.893 -7.284 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.975 -0.540 -7.646 1.00 0.00 C ATOM 0 H PHE A 104 10.669 -1.748 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 104 9.804 0.013 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.981 -2.813 -4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.180 -1.700 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.306 0.768 -5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.065 -3.328 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.703 1.458 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.460 -2.631 -7.773 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.277 -0.236 -8.413 1.00 0.00 H new ATOM 1628 N TRP A 105 10.918 -1.378 -2.096 1.00 0.00 N ATOM 1629 CA TRP A 105 11.767 -2.002 -1.092 1.00 0.00 C ATOM 1630 C TRP A 105 10.978 -2.245 0.179 1.00 0.00 C ATOM 1631 O TRP A 105 11.266 -3.263 0.851 1.00 0.00 O ATOM 1632 CB TRP A 105 13.020 -1.149 -0.841 1.00 0.00 C ATOM 1633 CG TRP A 105 14.291 -1.921 -0.997 1.00 0.00 C ATOM 1634 CD1 TRP A 105 14.733 -2.449 -2.158 1.00 0.00 C ATOM 1635 CD2 TRP A 105 15.266 -2.310 0.017 1.00 0.00 C ATOM 1636 NE1 TRP A 105 15.915 -3.127 -1.940 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.285 -3.085 -0.614 1.00 0.00 C ATOM 1638 CE3 TRP A 105 15.388 -2.099 1.407 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 17.365 -3.627 0.098 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 16.473 -2.630 2.129 1.00 0.00 C ATOM 1641 CH2 TRP A 105 17.455 -3.400 1.481 1.00 0.00 C ATOM 0 H TRP A 105 10.270 -0.687 -1.718 1.00 0.00 H new ATOM 0 HA TRP A 105 12.106 -2.971 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.025 -0.307 -1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 105 12.975 -0.733 0.166 1.00 0.00 H new ATOM 0 HD1 TRP A 105 14.237 -2.355 -3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.448 -3.600 -2.670 1.00 0.00 H new ATOM 0 HE3 TRP A 105 14.637 -1.521 1.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 18.118 -4.211 -0.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 16.552 -2.444 3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 105 18.276 -3.816 2.045 1.00 0.00 H new TER 1652 TRP A 105