USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 180:sc= 0.116 USER MOD Set 1.2: A 77 THR OG1 : rot -62:sc= 0.024 USER MOD Set 2.1: A 59 CYS SG : rot -97:sc= -2.42 USER MOD Set 2.2: A 69 TYR OH : rot 40:sc= 1.21 USER MOD Set 3.1: A 36 THR OG1 : rot -179:sc= -1.26 USER MOD Set 3.2: A 38 GLN : amide:sc=-0.00025 X(o=-1.3,f=-1.3) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 20 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.215 (180deg=-0.939) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 160:sc= -0.545 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.114 (180deg=-1.47!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -4:sc= -0.672 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-5.9!) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc=-0.00795 (180deg=-0.368) USER MOD Single : A 70 GLN : amide:sc= -0.601 K(o=-0.6,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -3.04 K(o=-3,f=-5.4!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 85:sc= 0.178 USER MOD Single : A 86 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=-0.014) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.353 -5.272 12.148 1.00 0.00 N ATOM 2 CA MET A 1 -0.014 -5.300 12.791 1.00 0.00 C ATOM 3 C MET A 1 0.936 -6.232 12.047 1.00 0.00 C ATOM 4 O MET A 1 1.007 -7.426 12.338 1.00 0.00 O ATOM 5 CB MET A 1 -0.177 -5.762 14.242 1.00 0.00 C ATOM 6 CG MET A 1 0.729 -5.031 15.219 1.00 0.00 C ATOM 7 SD MET A 1 0.232 -3.317 15.476 1.00 0.00 S ATOM 8 CE MET A 1 0.975 -2.984 17.072 1.00 0.00 C ATOM 0 H1 MET A 1 -2.061 -4.939 12.834 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.333 -4.628 11.332 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.604 -6.229 11.828 1.00 0.00 H new ATOM 0 HA MET A 1 0.417 -4.299 12.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.214 -5.620 14.545 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.028 -6.831 14.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.723 -5.554 16.175 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.753 -5.057 14.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.755 -1.958 17.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.568 -3.671 17.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.055 -3.119 17.006 1.00 0.00 H new ATOM 20 N LEU A 2 1.668 -5.678 11.084 1.00 0.00 N ATOM 21 CA LEU A 2 2.615 -6.460 10.298 1.00 0.00 C ATOM 22 C LEU A 2 3.839 -5.625 9.936 1.00 0.00 C ATOM 23 O LEU A 2 3.768 -4.397 9.872 1.00 0.00 O ATOM 24 CB LEU A 2 1.945 -6.982 9.025 1.00 0.00 C ATOM 25 CG LEU A 2 0.544 -7.563 9.221 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.511 -6.480 9.055 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.299 -8.707 8.247 1.00 0.00 C ATOM 0 H LEU A 2 1.623 -4.691 10.830 1.00 0.00 H new ATOM 0 HA LEU A 2 2.940 -7.307 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.886 -6.167 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.582 -7.750 8.586 1.00 0.00 H new ATOM 0 HG LEU A 2 0.473 -7.957 10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.501 -6.912 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.347 -5.696 9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.442 -6.055 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.703 -9.108 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.390 -8.340 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.035 -9.493 8.417 1.00 0.00 H new ATOM 39 N THR A 3 4.961 -6.298 9.700 1.00 0.00 N ATOM 40 CA THR A 3 6.201 -5.615 9.345 1.00 0.00 C ATOM 41 C THR A 3 6.028 -4.811 8.060 1.00 0.00 C ATOM 42 O THR A 3 4.938 -4.757 7.491 1.00 0.00 O ATOM 43 CB THR A 3 7.338 -6.625 9.179 1.00 0.00 C ATOM 44 OG1 THR A 3 6.977 -7.884 9.720 1.00 0.00 O ATOM 45 CG2 THR A 3 8.624 -6.191 9.849 1.00 0.00 C ATOM 0 H THR A 3 5.037 -7.314 9.748 1.00 0.00 H new ATOM 0 HA THR A 3 6.452 -4.928 10.153 1.00 0.00 H new ATOM 0 HB THR A 3 7.509 -6.692 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.717 -8.515 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.390 -6.951 9.694 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.958 -5.247 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.452 -6.062 10.918 1.00 0.00 H new ATOM 53 N ILE A 4 7.112 -4.188 7.608 1.00 0.00 N ATOM 54 CA ILE A 4 7.081 -3.388 6.394 1.00 0.00 C ATOM 55 C ILE A 4 8.248 -3.735 5.476 1.00 0.00 C ATOM 56 O ILE A 4 9.395 -3.385 5.753 1.00 0.00 O ATOM 57 CB ILE A 4 7.125 -1.882 6.717 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.050 -1.529 7.746 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.942 -1.066 5.449 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.533 -1.615 9.178 1.00 0.00 C ATOM 0 H ILE A 4 8.022 -4.223 8.067 1.00 0.00 H new ATOM 0 HA ILE A 4 6.144 -3.617 5.886 1.00 0.00 H new ATOM 0 HB ILE A 4 8.100 -1.642 7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.691 -0.518 7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.200 -2.199 7.617 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.975 -0.004 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.740 -1.303 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.979 -1.305 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.719 -1.352 9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.865 -2.631 9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.363 -0.924 9.324 1.00 0.00 H new ATOM 72 N GLU A 5 7.946 -4.423 4.379 1.00 0.00 N ATOM 73 CA GLU A 5 8.968 -4.815 3.417 1.00 0.00 C ATOM 74 C GLU A 5 8.889 -3.948 2.165 1.00 0.00 C ATOM 75 O GLU A 5 7.918 -3.218 1.964 1.00 0.00 O ATOM 76 CB GLU A 5 8.809 -6.289 3.044 1.00 0.00 C ATOM 77 CG GLU A 5 9.666 -7.224 3.884 1.00 0.00 C ATOM 78 CD GLU A 5 11.151 -7.027 3.643 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.520 -6.606 2.528 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.943 -7.295 4.572 1.00 0.00 O ATOM 0 H GLU A 5 7.001 -4.720 4.135 1.00 0.00 H new ATOM 0 HA GLU A 5 9.945 -4.671 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.762 -6.572 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.066 -6.419 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.448 -7.061 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.399 -8.257 3.659 1.00 0.00 H new ATOM 87 N THR A 6 9.915 -4.029 1.324 1.00 0.00 N ATOM 88 CA THR A 6 9.958 -3.248 0.094 1.00 0.00 C ATOM 89 C THR A 6 10.427 -4.098 -1.082 1.00 0.00 C ATOM 90 O THR A 6 11.087 -5.121 -0.896 1.00 0.00 O ATOM 91 CB THR A 6 10.877 -2.039 0.263 1.00 0.00 C ATOM 92 OG1 THR A 6 12.237 -2.432 0.202 1.00 0.00 O ATOM 93 CG2 THR A 6 10.669 -1.304 1.569 1.00 0.00 C ATOM 0 H THR A 6 10.727 -4.628 1.472 1.00 0.00 H new ATOM 0 HA THR A 6 8.947 -2.901 -0.117 1.00 0.00 H new ATOM 0 HB THR A 6 10.622 -1.366 -0.556 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.810 -1.645 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.353 -0.457 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.642 -0.944 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.862 -1.980 2.402 1.00 0.00 H new ATOM 101 N SER A 7 10.081 -3.668 -2.291 1.00 0.00 N ATOM 102 CA SER A 7 10.466 -4.389 -3.500 1.00 0.00 C ATOM 103 C SER A 7 11.437 -3.569 -4.340 1.00 0.00 C ATOM 104 O SER A 7 11.847 -2.477 -3.946 1.00 0.00 O ATOM 105 CB SER A 7 9.227 -4.737 -4.328 1.00 0.00 C ATOM 106 OG SER A 7 8.477 -3.574 -4.637 1.00 0.00 O ATOM 0 H SER A 7 9.534 -2.824 -2.460 1.00 0.00 H new ATOM 0 HA SER A 7 10.965 -5.310 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.529 -5.234 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.603 -5.440 -3.777 1.00 0.00 H new ATOM 0 HG SER A 7 7.896 -3.754 -5.405 1.00 0.00 H new ATOM 112 N LYS A 8 11.800 -4.102 -5.503 1.00 0.00 N ATOM 113 CA LYS A 8 12.723 -3.419 -6.403 1.00 0.00 C ATOM 114 C LYS A 8 12.058 -2.206 -7.044 1.00 0.00 C ATOM 115 O LYS A 8 12.533 -1.078 -6.904 1.00 0.00 O ATOM 116 CB LYS A 8 13.212 -4.380 -7.488 1.00 0.00 C ATOM 117 CG LYS A 8 13.656 -5.732 -6.951 1.00 0.00 C ATOM 118 CD LYS A 8 15.170 -5.871 -6.965 1.00 0.00 C ATOM 119 CE LYS A 8 15.653 -6.564 -8.229 1.00 0.00 C ATOM 120 NZ LYS A 8 17.041 -7.083 -8.081 1.00 0.00 N ATOM 0 H LYS A 8 11.469 -5.005 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 8 13.577 -3.076 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.413 -4.532 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.044 -3.920 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.288 -5.858 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.212 -6.526 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.628 -4.885 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.493 -6.438 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.981 -7.388 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.614 -5.865 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.334 -7.548 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.687 -6.294 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.074 -7.770 -7.300 1.00 0.00 H new ATOM 134 N LYS A 9 10.955 -2.445 -7.748 1.00 0.00 N ATOM 135 CA LYS A 9 10.222 -1.370 -8.409 1.00 0.00 C ATOM 136 C LYS A 9 9.774 -0.317 -7.400 1.00 0.00 C ATOM 137 O LYS A 9 9.660 0.863 -7.730 1.00 0.00 O ATOM 138 CB LYS A 9 9.008 -1.934 -9.149 1.00 0.00 C ATOM 139 CG LYS A 9 9.368 -2.709 -10.406 1.00 0.00 C ATOM 140 CD LYS A 9 8.221 -2.714 -11.404 1.00 0.00 C ATOM 141 CE LYS A 9 8.630 -3.354 -12.720 1.00 0.00 C ATOM 142 NZ LYS A 9 8.258 -4.795 -12.778 1.00 0.00 N ATOM 0 H LYS A 9 10.550 -3.372 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 9 10.890 -0.896 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.454 -2.588 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.342 -1.113 -9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.251 -2.267 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.626 -3.734 -10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.374 -3.255 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.889 -1.691 -11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.154 -2.823 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.707 -3.252 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.555 -5.194 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.732 -5.307 -12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.228 -4.892 -12.676 1.00 0.00 H new ATOM 156 N PHE A 10 9.524 -0.754 -6.170 1.00 0.00 N ATOM 157 CA PHE A 10 9.091 0.148 -5.111 1.00 0.00 C ATOM 158 C PHE A 10 10.120 1.253 -4.883 1.00 0.00 C ATOM 159 O PHE A 10 9.768 2.385 -4.552 1.00 0.00 O ATOM 160 CB PHE A 10 8.860 -0.633 -3.815 1.00 0.00 C ATOM 161 CG PHE A 10 8.478 0.231 -2.647 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.185 0.714 -2.520 1.00 0.00 C ATOM 163 CD2 PHE A 10 9.410 0.558 -1.676 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.831 1.509 -1.445 1.00 0.00 C ATOM 165 CE2 PHE A 10 9.062 1.352 -0.601 1.00 0.00 C ATOM 166 CZ PHE A 10 7.770 1.828 -0.484 1.00 0.00 C ATOM 0 H PHE A 10 9.614 -1.729 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 10 8.154 0.612 -5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.075 -1.371 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.767 -1.183 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.446 0.467 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.421 0.188 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.821 1.880 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.799 1.601 0.148 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.495 2.448 0.357 1.00 0.00 H new ATOM 176 N ASP A 11 11.393 0.914 -5.063 1.00 0.00 N ATOM 177 CA ASP A 11 12.473 1.876 -4.878 1.00 0.00 C ATOM 178 C ASP A 11 12.413 2.973 -5.935 1.00 0.00 C ATOM 179 O ASP A 11 12.585 4.153 -5.629 1.00 0.00 O ATOM 180 CB ASP A 11 13.828 1.167 -4.939 1.00 0.00 C ATOM 181 CG ASP A 11 14.973 2.071 -4.527 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.899 3.287 -4.804 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.942 1.565 -3.925 1.00 0.00 O ATOM 0 H ASP A 11 11.701 -0.019 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 11 12.353 2.336 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.807 0.293 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.001 0.806 -5.953 1.00 0.00 H new ATOM 188 N LYS A 12 12.167 2.577 -7.179 1.00 0.00 N ATOM 189 CA LYS A 12 12.085 3.527 -8.282 1.00 0.00 C ATOM 190 C LYS A 12 10.778 4.317 -8.236 1.00 0.00 C ATOM 191 O LYS A 12 10.671 5.389 -8.831 1.00 0.00 O ATOM 192 CB LYS A 12 12.202 2.797 -9.620 1.00 0.00 C ATOM 193 CG LYS A 12 13.456 1.946 -9.741 1.00 0.00 C ATOM 194 CD LYS A 12 13.189 0.668 -10.519 1.00 0.00 C ATOM 195 CE LYS A 12 14.366 -0.291 -10.437 1.00 0.00 C ATOM 196 NZ LYS A 12 13.975 -1.685 -10.785 1.00 0.00 N ATOM 0 H LYS A 12 12.021 1.604 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 12 12.913 4.228 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.327 2.161 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.191 3.530 -10.427 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.239 2.519 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.825 1.697 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.295 0.183 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.989 0.911 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.154 0.044 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.780 -0.272 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.806 -2.306 -10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.241 -2.015 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.604 -1.709 -11.756 1.00 0.00 H new ATOM 210 N ASP A 13 9.786 3.782 -7.530 1.00 0.00 N ATOM 211 CA ASP A 13 8.490 4.441 -7.414 1.00 0.00 C ATOM 212 C ASP A 13 8.482 5.444 -6.262 1.00 0.00 C ATOM 213 O ASP A 13 7.732 6.420 -6.283 1.00 0.00 O ATOM 214 CB ASP A 13 7.385 3.403 -7.210 1.00 0.00 C ATOM 215 CG ASP A 13 6.599 3.139 -8.480 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.402 4.090 -9.265 1.00 0.00 O ATOM 217 OD2 ASP A 13 6.179 1.982 -8.690 1.00 0.00 O ATOM 0 H ASP A 13 9.855 2.895 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 13 8.305 4.984 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.827 2.470 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.706 3.748 -6.430 1.00 0.00 H new ATOM 222 N LEU A 14 9.316 5.196 -5.257 1.00 0.00 N ATOM 223 CA LEU A 14 9.398 6.077 -4.098 1.00 0.00 C ATOM 224 C LEU A 14 10.366 7.230 -4.351 1.00 0.00 C ATOM 225 O LEU A 14 10.137 8.354 -3.905 1.00 0.00 O ATOM 226 CB LEU A 14 9.836 5.287 -2.863 1.00 0.00 C ATOM 227 CG LEU A 14 9.027 5.567 -1.595 1.00 0.00 C ATOM 228 CD1 LEU A 14 9.131 7.034 -1.208 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.573 5.166 -1.794 1.00 0.00 C ATOM 0 H LEU A 14 9.944 4.393 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 14 8.407 6.496 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.771 4.223 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.885 5.507 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 14 9.440 4.970 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.549 7.214 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.175 7.289 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.744 7.652 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.011 5.371 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.148 5.737 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.517 4.102 -2.022 1.00 0.00 H new ATOM 241 N LYS A 15 11.449 6.942 -5.062 1.00 0.00 N ATOM 242 CA LYS A 15 12.455 7.955 -5.369 1.00 0.00 C ATOM 243 C LYS A 15 11.844 9.126 -6.133 1.00 0.00 C ATOM 244 O LYS A 15 12.315 10.257 -6.033 1.00 0.00 O ATOM 245 CB LYS A 15 13.596 7.339 -6.181 1.00 0.00 C ATOM 246 CG LYS A 15 13.177 6.866 -7.564 1.00 0.00 C ATOM 247 CD LYS A 15 14.378 6.441 -8.393 1.00 0.00 C ATOM 248 CE LYS A 15 14.193 6.785 -9.862 1.00 0.00 C ATOM 249 NZ LYS A 15 15.429 7.369 -10.454 1.00 0.00 N ATOM 0 H LYS A 15 11.655 6.016 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 15 12.850 8.333 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.394 8.074 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.009 6.495 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.484 6.030 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.643 7.666 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.275 6.931 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.533 5.367 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.915 5.887 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.370 7.492 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.263 7.590 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.680 8.240 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.208 6.685 -10.375 1.00 0.00 H new ATOM 263 N ILE A 16 10.792 8.846 -6.896 1.00 0.00 N ATOM 264 CA ILE A 16 10.119 9.879 -7.676 1.00 0.00 C ATOM 265 C ILE A 16 9.144 10.676 -6.815 1.00 0.00 C ATOM 266 O ILE A 16 8.886 11.851 -7.078 1.00 0.00 O ATOM 267 CB ILE A 16 9.356 9.271 -8.869 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.275 8.352 -9.675 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.789 10.371 -9.756 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.431 9.076 -10.332 1.00 0.00 C ATOM 0 H ILE A 16 10.388 7.914 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 16 10.894 10.547 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 16 8.526 8.679 -8.484 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.669 7.578 -9.017 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.688 7.849 -10.444 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.254 9.923 -10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.104 10.989 -9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.603 10.989 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.040 8.362 -10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.045 9.832 -11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.041 9.557 -9.567 1.00 0.00 H new ATOM 282 N LEU A 17 8.600 10.030 -5.788 1.00 0.00 N ATOM 283 CA LEU A 17 7.652 10.681 -4.892 1.00 0.00 C ATOM 284 C LEU A 17 8.376 11.506 -3.833 1.00 0.00 C ATOM 285 O LEU A 17 7.945 12.605 -3.486 1.00 0.00 O ATOM 286 CB LEU A 17 6.756 9.640 -4.220 1.00 0.00 C ATOM 287 CG LEU A 17 5.652 9.066 -5.111 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.171 7.728 -4.568 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.494 10.046 -5.221 1.00 0.00 C ATOM 0 H LEU A 17 8.800 9.057 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 17 7.034 11.353 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.380 8.819 -3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.295 10.092 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 17 6.062 8.905 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.386 7.334 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.004 7.026 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.778 7.864 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.718 9.622 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.085 10.238 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.849 10.981 -5.655 1.00 0.00 H new ATOM 301 N VAL A 18 9.478 10.967 -3.320 1.00 0.00 N ATOM 302 CA VAL A 18 10.260 11.654 -2.299 1.00 0.00 C ATOM 303 C VAL A 18 10.734 13.018 -2.793 1.00 0.00 C ATOM 304 O VAL A 18 10.899 13.952 -2.006 1.00 0.00 O ATOM 305 CB VAL A 18 11.481 10.816 -1.869 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.417 10.589 -3.047 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.214 11.488 -0.717 1.00 0.00 C ATOM 0 H VAL A 18 9.849 10.057 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 18 9.606 11.794 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 18 11.126 9.844 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.272 9.996 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.886 10.058 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.765 11.550 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.072 10.881 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.556 12.475 -1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.540 11.590 0.133 1.00 0.00 H new ATOM 317 N LYS A 19 10.953 13.126 -4.099 1.00 0.00 N ATOM 318 CA LYS A 19 11.409 14.376 -4.696 1.00 0.00 C ATOM 319 C LYS A 19 10.231 15.298 -4.997 1.00 0.00 C ATOM 320 O LYS A 19 10.371 16.522 -4.992 1.00 0.00 O ATOM 321 CB LYS A 19 12.193 14.097 -5.981 1.00 0.00 C ATOM 322 CG LYS A 19 13.274 15.127 -6.270 1.00 0.00 C ATOM 323 CD LYS A 19 12.700 16.362 -6.951 1.00 0.00 C ATOM 324 CE LYS A 19 13.103 16.428 -8.416 1.00 0.00 C ATOM 325 NZ LYS A 19 12.101 15.769 -9.299 1.00 0.00 N ATOM 0 H LYS A 19 10.822 12.364 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 19 12.063 14.873 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.652 13.111 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.499 14.066 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.760 15.417 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.041 14.683 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.613 16.350 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.048 17.258 -6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.219 17.470 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.073 15.949 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.413 15.836 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.008 14.768 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.181 16.242 -9.193 1.00 0.00 H new ATOM 339 N ASN A 20 9.071 14.705 -5.261 1.00 0.00 N ATOM 340 CA ASN A 20 7.870 15.475 -5.566 1.00 0.00 C ATOM 341 C ASN A 20 6.986 15.615 -4.329 1.00 0.00 C ATOM 342 O ASN A 20 5.761 15.690 -4.435 1.00 0.00 O ATOM 343 CB ASN A 20 7.085 14.808 -6.695 1.00 0.00 C ATOM 344 CG ASN A 20 7.477 15.337 -8.062 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.634 15.817 -8.819 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.763 15.250 -8.382 1.00 0.00 N ATOM 0 H ASN A 20 8.937 13.694 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 20 8.177 16.471 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.252 13.731 -6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.019 14.970 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.087 15.589 -9.288 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.426 14.844 -7.722 1.00 0.00 H new ATOM 353 N GLY A 21 7.615 15.649 -3.159 1.00 0.00 N ATOM 354 CA GLY A 21 6.870 15.781 -1.921 1.00 0.00 C ATOM 355 C GLY A 21 6.398 14.445 -1.382 1.00 0.00 C ATOM 356 O GLY A 21 5.308 13.983 -1.720 1.00 0.00 O ATOM 0 H GLY A 21 8.627 15.588 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.496 16.270 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.008 16.427 -2.087 1.00 0.00 H new ATOM 360 N PHE A 22 7.220 13.823 -0.543 1.00 0.00 N ATOM 361 CA PHE A 22 6.881 12.532 0.043 1.00 0.00 C ATOM 362 C PHE A 22 7.940 12.098 1.050 1.00 0.00 C ATOM 363 O PHE A 22 8.945 11.488 0.685 1.00 0.00 O ATOM 364 CB PHE A 22 6.736 11.473 -1.050 1.00 0.00 C ATOM 365 CG PHE A 22 6.087 10.204 -0.576 1.00 0.00 C ATOM 366 CD1 PHE A 22 6.766 9.335 0.264 1.00 0.00 C ATOM 367 CD2 PHE A 22 4.798 9.880 -0.969 1.00 0.00 C ATOM 368 CE1 PHE A 22 6.171 8.167 0.702 1.00 0.00 C ATOM 369 CE2 PHE A 22 4.198 8.713 -0.534 1.00 0.00 C ATOM 370 CZ PHE A 22 4.886 7.856 0.303 1.00 0.00 C ATOM 0 H PHE A 22 8.126 14.193 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 22 5.930 12.637 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.149 11.887 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.722 11.239 -1.451 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.771 9.573 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.256 10.547 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.711 7.498 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.193 8.472 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.420 6.944 0.645 1.00 0.00 H new ATOM 380 N ASP A 23 7.709 12.416 2.319 1.00 0.00 N ATOM 381 CA ASP A 23 8.644 12.058 3.379 1.00 0.00 C ATOM 382 C ASP A 23 8.645 10.551 3.616 1.00 0.00 C ATOM 383 O ASP A 23 7.768 9.836 3.133 1.00 0.00 O ATOM 384 CB ASP A 23 8.286 12.791 4.675 1.00 0.00 C ATOM 385 CG ASP A 23 9.513 13.242 5.442 1.00 0.00 C ATOM 386 OD1 ASP A 23 10.250 12.370 5.949 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.739 14.466 5.535 1.00 0.00 O ATOM 0 H ASP A 23 6.882 12.921 2.639 1.00 0.00 H new ATOM 0 HA ASP A 23 9.643 12.359 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.669 13.658 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.687 12.135 5.307 1.00 0.00 H new ATOM 392 N LEU A 24 9.637 10.075 4.363 1.00 0.00 N ATOM 393 CA LEU A 24 9.753 8.653 4.665 1.00 0.00 C ATOM 394 C LEU A 24 9.048 8.314 5.974 1.00 0.00 C ATOM 395 O LEU A 24 8.533 7.209 6.144 1.00 0.00 O ATOM 396 CB LEU A 24 11.225 8.246 4.743 1.00 0.00 C ATOM 397 CG LEU A 24 11.853 7.829 3.411 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.301 9.052 2.627 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.023 6.885 3.647 1.00 0.00 C ATOM 0 H LEU A 24 10.372 10.654 4.770 1.00 0.00 H new ATOM 0 HA LEU A 24 9.271 8.096 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.796 9.080 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.321 7.419 5.447 1.00 0.00 H new ATOM 0 HG LEU A 24 11.100 7.303 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.745 8.736 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.441 9.692 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.039 9.606 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.458 6.598 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.778 7.386 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.672 5.994 4.168 1.00 0.00 H new ATOM 411 N LYS A 25 9.029 9.271 6.895 1.00 0.00 N ATOM 412 CA LYS A 25 8.385 9.073 8.190 1.00 0.00 C ATOM 413 C LYS A 25 6.903 8.758 8.018 1.00 0.00 C ATOM 414 O LYS A 25 6.331 7.983 8.784 1.00 0.00 O ATOM 415 CB LYS A 25 8.559 10.319 9.063 1.00 0.00 C ATOM 416 CG LYS A 25 9.577 10.143 10.179 1.00 0.00 C ATOM 417 CD LYS A 25 9.084 10.743 11.485 1.00 0.00 C ATOM 418 CE LYS A 25 9.198 12.259 11.480 1.00 0.00 C ATOM 419 NZ LYS A 25 8.219 12.893 12.405 1.00 0.00 N ATOM 0 H LYS A 25 9.451 10.191 6.770 1.00 0.00 H new ATOM 0 HA LYS A 25 8.862 8.225 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.864 11.154 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.596 10.584 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.783 9.082 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.517 10.615 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.045 10.456 11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.662 10.336 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.209 12.548 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.036 12.632 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.329 13.927 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.253 12.639 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.390 12.557 13.374 1.00 0.00 H new ATOM 433 N LEU A 26 6.288 9.363 7.007 1.00 0.00 N ATOM 434 CA LEU A 26 4.873 9.147 6.735 1.00 0.00 C ATOM 435 C LEU A 26 4.592 7.676 6.445 1.00 0.00 C ATOM 436 O LEU A 26 3.541 7.149 6.814 1.00 0.00 O ATOM 437 CB LEU A 26 4.421 10.008 5.553 1.00 0.00 C ATOM 438 CG LEU A 26 4.994 9.598 4.194 1.00 0.00 C ATOM 439 CD1 LEU A 26 4.126 8.527 3.551 1.00 0.00 C ATOM 440 CD2 LEU A 26 5.116 10.808 3.282 1.00 0.00 C ATOM 0 H LEU A 26 6.748 10.007 6.363 1.00 0.00 H new ATOM 0 HA LEU A 26 4.311 9.437 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.333 9.976 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.700 11.043 5.750 1.00 0.00 H new ATOM 0 HG LEU A 26 5.990 9.184 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.548 8.248 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.090 7.651 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.117 8.914 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.525 10.499 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.132 11.251 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.779 11.543 3.739 1.00 0.00 H new ATOM 452 N LEU A 27 5.537 7.018 5.783 1.00 0.00 N ATOM 453 CA LEU A 27 5.392 5.607 5.443 1.00 0.00 C ATOM 454 C LEU A 27 5.422 4.738 6.699 1.00 0.00 C ATOM 455 O LEU A 27 4.809 3.672 6.742 1.00 0.00 O ATOM 456 CB LEU A 27 6.499 5.177 4.478 1.00 0.00 C ATOM 457 CG LEU A 27 6.021 4.399 3.252 1.00 0.00 C ATOM 458 CD1 LEU A 27 6.897 4.710 2.048 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.015 2.905 3.538 1.00 0.00 C ATOM 0 H LEU A 27 6.412 7.439 5.471 1.00 0.00 H new ATOM 0 HA LEU A 27 4.426 5.472 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.032 6.066 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.217 4.563 5.022 1.00 0.00 H new ATOM 0 HG LEU A 27 5.001 4.709 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.542 4.147 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.850 5.777 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.927 4.429 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.672 2.367 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.024 2.579 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.345 2.697 4.372 1.00 0.00 H new ATOM 471 N TYR A 28 6.139 5.204 7.717 1.00 0.00 N ATOM 472 CA TYR A 28 6.248 4.470 8.973 1.00 0.00 C ATOM 473 C TYR A 28 5.038 4.732 9.865 1.00 0.00 C ATOM 474 O TYR A 28 4.652 3.884 10.670 1.00 0.00 O ATOM 475 CB TYR A 28 7.530 4.863 9.707 1.00 0.00 C ATOM 476 CG TYR A 28 8.760 4.133 9.213 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.821 2.745 9.230 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.858 4.832 8.730 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.942 2.075 8.780 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.982 4.170 8.277 1.00 0.00 C ATOM 481 CZ TYR A 28 11.020 2.792 8.305 1.00 0.00 C ATOM 482 OH TYR A 28 12.139 2.128 7.855 1.00 0.00 O ATOM 0 H TYR A 28 6.652 6.085 7.697 1.00 0.00 H new ATOM 0 HA TYR A 28 6.281 3.406 8.740 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.687 5.936 9.598 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.404 4.666 10.772 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.978 2.181 9.601 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.833 5.911 8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.974 0.996 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.827 4.729 7.903 1.00 0.00 H new ATOM 0 HH TYR A 28 12.806 2.779 7.553 1.00 0.00 H new ATOM 492 N LYS A 29 4.443 5.912 9.717 1.00 0.00 N ATOM 493 CA LYS A 29 3.277 6.284 10.510 1.00 0.00 C ATOM 494 C LYS A 29 1.990 5.808 9.847 1.00 0.00 C ATOM 495 O LYS A 29 1.021 5.464 10.523 1.00 0.00 O ATOM 496 CB LYS A 29 3.233 7.801 10.705 1.00 0.00 C ATOM 497 CG LYS A 29 2.133 8.261 11.649 1.00 0.00 C ATOM 498 CD LYS A 29 2.692 9.066 12.812 1.00 0.00 C ATOM 499 CE LYS A 29 2.808 8.222 14.069 1.00 0.00 C ATOM 500 NZ LYS A 29 3.562 6.960 13.824 1.00 0.00 N ATOM 0 H LYS A 29 4.749 6.626 9.056 1.00 0.00 H new ATOM 0 HA LYS A 29 3.361 5.800 11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.195 8.138 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.093 8.280 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.412 8.867 11.100 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.595 7.394 12.032 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.673 9.460 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.047 9.923 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.308 8.798 14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.811 7.983 14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.067 6.684 14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.898 6.206 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.247 7.109 13.056 1.00 0.00 H new ATOM 514 N VAL A 30 1.985 5.789 8.517 1.00 0.00 N ATOM 515 CA VAL A 30 0.817 5.356 7.763 1.00 0.00 C ATOM 516 C VAL A 30 0.561 3.860 7.941 1.00 0.00 C ATOM 517 O VAL A 30 -0.552 3.383 7.727 1.00 0.00 O ATOM 518 CB VAL A 30 0.969 5.666 6.260 1.00 0.00 C ATOM 519 CG1 VAL A 30 2.134 4.891 5.665 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.322 5.358 5.517 1.00 0.00 C ATOM 0 H VAL A 30 2.779 6.069 7.941 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.033 5.913 8.157 1.00 0.00 H new ATOM 0 HB VAL A 30 1.180 6.730 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.223 5.125 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.055 5.170 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.960 3.822 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.195 5.583 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.568 4.303 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.130 5.967 5.923 1.00 0.00 H new ATOM 530 N VAL A 31 1.600 3.127 8.336 1.00 0.00 N ATOM 531 CA VAL A 31 1.487 1.685 8.543 1.00 0.00 C ATOM 532 C VAL A 31 0.266 1.337 9.391 1.00 0.00 C ATOM 533 O VAL A 31 -0.312 0.259 9.252 1.00 0.00 O ATOM 534 CB VAL A 31 2.753 1.116 9.219 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.949 1.732 10.596 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.675 -0.401 9.310 1.00 0.00 C ATOM 0 H VAL A 31 2.529 3.507 8.519 1.00 0.00 H new ATOM 0 HA VAL A 31 1.374 1.233 7.557 1.00 0.00 H new ATOM 0 HB VAL A 31 3.616 1.376 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.846 1.318 11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.056 2.812 10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.085 1.508 11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.576 -0.784 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.802 -0.686 9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.590 -0.822 8.308 1.00 0.00 H new ATOM 546 N GLY A 32 -0.120 2.257 10.269 1.00 0.00 N ATOM 547 CA GLY A 32 -1.270 2.029 11.123 1.00 0.00 C ATOM 548 C GLY A 32 -2.573 2.024 10.350 1.00 0.00 C ATOM 549 O GLY A 32 -3.530 1.354 10.737 1.00 0.00 O ATOM 0 H GLY A 32 0.343 3.156 10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.153 1.076 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.309 2.803 11.890 1.00 0.00 H new ATOM 553 N ASN A 33 -2.609 2.773 9.253 1.00 0.00 N ATOM 554 CA ASN A 33 -3.804 2.854 8.420 1.00 0.00 C ATOM 555 C ASN A 33 -3.789 1.777 7.337 1.00 0.00 C ATOM 556 O ASN A 33 -4.841 1.348 6.863 1.00 0.00 O ATOM 557 CB ASN A 33 -3.912 4.239 7.779 1.00 0.00 C ATOM 558 CG ASN A 33 -4.287 5.311 8.782 1.00 0.00 C ATOM 559 OD1 ASN A 33 -3.425 6.012 9.310 1.00 0.00 O ATOM 560 ND2 ASN A 33 -5.582 5.444 9.051 1.00 0.00 N ATOM 0 H ASN A 33 -1.824 3.333 8.920 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.672 2.688 9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.960 4.497 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.658 4.212 6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.894 6.149 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.263 4.841 8.590 1.00 0.00 H new ATOM 567 N LEU A 34 -2.593 1.347 6.949 1.00 0.00 N ATOM 568 CA LEU A 34 -2.445 0.322 5.924 1.00 0.00 C ATOM 569 C LEU A 34 -3.046 -1.002 6.386 1.00 0.00 C ATOM 570 O LEU A 34 -3.728 -1.687 5.623 1.00 0.00 O ATOM 571 CB LEU A 34 -0.968 0.128 5.574 1.00 0.00 C ATOM 572 CG LEU A 34 -0.240 1.390 5.109 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.189 1.063 4.705 1.00 0.00 C ATOM 574 CD2 LEU A 34 -0.987 2.042 3.955 1.00 0.00 C ATOM 0 H LEU A 34 -1.712 1.693 7.330 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.982 0.655 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.452 -0.269 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.892 -0.626 4.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.209 2.095 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.692 1.973 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.721 0.642 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.180 0.339 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.455 2.938 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.050 1.343 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.992 2.313 4.279 1.00 0.00 H new ATOM 586 N ALA A 35 -2.790 -1.356 7.642 1.00 0.00 N ATOM 587 CA ALA A 35 -3.305 -2.597 8.207 1.00 0.00 C ATOM 588 C ALA A 35 -4.809 -2.510 8.441 1.00 0.00 C ATOM 589 O ALA A 35 -5.532 -3.492 8.270 1.00 0.00 O ATOM 590 CB ALA A 35 -2.585 -2.923 9.506 1.00 0.00 C ATOM 0 H ALA A 35 -2.229 -0.800 8.287 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.121 -3.398 7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.979 -3.852 9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.518 -3.036 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.741 -2.115 10.221 1.00 0.00 H new ATOM 596 N THR A 36 -5.275 -1.329 8.833 1.00 0.00 N ATOM 597 CA THR A 36 -6.694 -1.116 9.090 1.00 0.00 C ATOM 598 C THR A 36 -7.469 -0.983 7.784 1.00 0.00 C ATOM 599 O THR A 36 -8.520 -1.600 7.609 1.00 0.00 O ATOM 600 CB THR A 36 -6.896 0.136 9.946 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.401 1.284 9.281 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.213 0.056 11.294 1.00 0.00 C ATOM 0 H THR A 36 -4.691 -0.506 8.979 1.00 0.00 H new ATOM 0 HA THR A 36 -7.074 -1.983 9.631 1.00 0.00 H new ATOM 0 HB THR A 36 -7.972 0.206 10.106 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.526 2.071 9.851 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.396 0.976 11.850 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.610 -0.791 11.853 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.140 -0.074 11.151 1.00 0.00 H new ATOM 610 N GLU A 37 -6.943 -0.176 6.868 1.00 0.00 N ATOM 611 CA GLU A 37 -7.586 0.035 5.576 1.00 0.00 C ATOM 612 C GLU A 37 -8.991 0.602 5.753 1.00 0.00 C ATOM 613 O GLU A 37 -9.951 0.105 5.165 1.00 0.00 O ATOM 614 CB GLU A 37 -7.647 -1.279 4.795 1.00 0.00 C ATOM 615 CG GLU A 37 -6.319 -2.019 4.746 1.00 0.00 C ATOM 616 CD GLU A 37 -6.450 -3.415 4.168 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.433 -4.108 4.506 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.571 -3.815 3.376 1.00 0.00 O ATOM 0 H GLU A 37 -6.074 0.342 6.996 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.992 0.757 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.398 -1.927 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.976 -1.072 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.610 -1.447 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.906 -2.084 5.753 1.00 0.00 H new ATOM 625 N GLN A 38 -9.106 1.644 6.571 1.00 0.00 N ATOM 626 CA GLN A 38 -10.398 2.274 6.828 1.00 0.00 C ATOM 627 C GLN A 38 -10.671 3.402 5.832 1.00 0.00 C ATOM 628 O GLN A 38 -11.729 3.437 5.203 1.00 0.00 O ATOM 629 CB GLN A 38 -10.465 2.818 8.261 1.00 0.00 C ATOM 630 CG GLN A 38 -9.463 2.183 9.215 1.00 0.00 C ATOM 631 CD GLN A 38 -9.711 2.568 10.660 1.00 0.00 C ATOM 632 OE1 GLN A 38 -10.811 2.387 11.184 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.687 3.105 11.314 1.00 0.00 N ATOM 0 H GLN A 38 -8.323 2.070 7.066 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.165 1.509 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.296 3.895 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.471 2.662 8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.511 1.098 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.455 2.484 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.793 3.237 10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.795 3.385 12.289 1.00 0.00 H new ATOM 642 N PRO A 39 -9.726 4.347 5.681 1.00 0.00 N ATOM 643 CA PRO A 39 -9.885 5.472 4.765 1.00 0.00 C ATOM 644 C PRO A 39 -9.508 5.121 3.321 1.00 0.00 C ATOM 645 O PRO A 39 -10.345 4.638 2.561 1.00 0.00 O ATOM 646 CB PRO A 39 -8.948 6.526 5.355 1.00 0.00 C ATOM 647 CG PRO A 39 -7.867 5.754 6.042 1.00 0.00 C ATOM 648 CD PRO A 39 -8.435 4.399 6.393 1.00 0.00 C ATOM 0 HA PRO A 39 -10.920 5.804 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.538 7.168 4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.476 7.173 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.998 5.650 5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.534 6.275 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.772 3.595 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.570 4.291 7.469 1.00 0.00 H new ATOM 656 N LEU A 40 -8.252 5.365 2.941 1.00 0.00 N ATOM 657 CA LEU A 40 -7.792 5.068 1.587 1.00 0.00 C ATOM 658 C LEU A 40 -8.693 5.728 0.545 1.00 0.00 C ATOM 659 O LEU A 40 -8.838 5.228 -0.570 1.00 0.00 O ATOM 660 CB LEU A 40 -7.756 3.555 1.359 1.00 0.00 C ATOM 661 CG LEU A 40 -7.194 2.737 2.524 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.033 1.490 2.755 1.00 0.00 C ATOM 663 CD2 LEU A 40 -5.742 2.364 2.262 1.00 0.00 C ATOM 0 H LEU A 40 -7.539 5.766 3.551 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.785 5.471 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.768 3.211 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.159 3.351 0.470 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.235 3.349 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.618 0.921 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.058 1.779 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.025 0.875 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.359 1.783 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.678 1.771 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.148 3.271 2.148 1.00 0.00 H new ATOM 675 N ALA A 41 -9.294 6.853 0.918 1.00 0.00 N ATOM 676 CA ALA A 41 -10.182 7.584 0.019 1.00 0.00 C ATOM 677 C ALA A 41 -11.448 6.778 -0.276 1.00 0.00 C ATOM 678 O ALA A 41 -11.390 5.560 -0.441 1.00 0.00 O ATOM 679 CB ALA A 41 -9.460 7.931 -1.274 1.00 0.00 C ATOM 0 H ALA A 41 -9.183 7.279 1.838 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.477 8.509 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.136 8.476 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.592 8.552 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.134 7.015 -1.766 1.00 0.00 H new ATOM 685 N PRO A 42 -12.611 7.450 -0.343 1.00 0.00 N ATOM 686 CA PRO A 42 -13.891 6.786 -0.615 1.00 0.00 C ATOM 687 C PRO A 42 -14.008 6.310 -2.059 1.00 0.00 C ATOM 688 O PRO A 42 -14.519 5.220 -2.323 1.00 0.00 O ATOM 689 CB PRO A 42 -14.924 7.877 -0.327 1.00 0.00 C ATOM 690 CG PRO A 42 -14.198 9.155 -0.565 1.00 0.00 C ATOM 691 CD PRO A 42 -12.773 8.904 -0.155 1.00 0.00 C ATOM 0 HA PRO A 42 -14.018 5.887 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.790 7.785 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.291 7.815 0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.257 9.448 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.635 9.966 0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.073 9.469 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.596 9.197 0.880 1.00 0.00 H new ATOM 699 N LYS A 43 -13.540 7.133 -2.993 1.00 0.00 N ATOM 700 CA LYS A 43 -13.599 6.794 -4.412 1.00 0.00 C ATOM 701 C LYS A 43 -12.951 5.437 -4.681 1.00 0.00 C ATOM 702 O LYS A 43 -13.475 4.633 -5.453 1.00 0.00 O ATOM 703 CB LYS A 43 -12.912 7.873 -5.248 1.00 0.00 C ATOM 704 CG LYS A 43 -11.534 8.261 -4.733 1.00 0.00 C ATOM 705 CD LYS A 43 -11.327 9.769 -4.775 1.00 0.00 C ATOM 706 CE LYS A 43 -11.062 10.336 -3.389 1.00 0.00 C ATOM 707 NZ LYS A 43 -11.730 11.651 -3.191 1.00 0.00 N ATOM 0 H LYS A 43 -13.116 8.039 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.649 6.737 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.820 7.521 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.545 8.760 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.413 7.904 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.768 7.771 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.489 10.004 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.209 10.246 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.415 9.632 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.988 10.449 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.525 12.004 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.375 12.330 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.758 11.539 -3.306 1.00 0.00 H new ATOM 721 N TYR A 44 -11.815 5.189 -4.039 1.00 0.00 N ATOM 722 CA TYR A 44 -11.101 3.929 -4.211 1.00 0.00 C ATOM 723 C TYR A 44 -10.411 3.512 -2.916 1.00 0.00 C ATOM 724 O TYR A 44 -9.185 3.579 -2.803 1.00 0.00 O ATOM 725 CB TYR A 44 -10.073 4.041 -5.342 1.00 0.00 C ATOM 726 CG TYR A 44 -9.433 5.408 -5.461 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.090 6.140 -4.331 1.00 0.00 C ATOM 728 CD2 TYR A 44 -9.173 5.965 -6.707 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.506 7.386 -4.438 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.588 7.211 -6.823 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.257 7.919 -5.686 1.00 0.00 C ATOM 732 OH TYR A 44 -7.676 9.161 -5.797 1.00 0.00 O ATOM 0 H TYR A 44 -11.369 5.843 -3.395 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.831 3.164 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.291 3.298 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.559 3.796 -6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.284 5.727 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.432 5.415 -7.599 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.245 7.941 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.391 7.629 -7.799 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.566 9.551 -4.905 1.00 0.00 H new ATOM 742 N LYS A 45 -11.204 3.080 -1.940 1.00 0.00 N ATOM 743 CA LYS A 45 -10.670 2.651 -0.652 1.00 0.00 C ATOM 744 C LYS A 45 -9.644 1.535 -0.830 1.00 0.00 C ATOM 745 O LYS A 45 -8.438 1.775 -0.785 1.00 0.00 O ATOM 746 CB LYS A 45 -11.803 2.181 0.263 1.00 0.00 C ATOM 747 CG LYS A 45 -12.687 3.311 0.768 1.00 0.00 C ATOM 748 CD LYS A 45 -13.601 2.844 1.890 1.00 0.00 C ATOM 749 CE LYS A 45 -14.994 3.443 1.759 1.00 0.00 C ATOM 750 NZ LYS A 45 -15.571 3.798 3.085 1.00 0.00 N ATOM 0 H LYS A 45 -12.219 3.018 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.172 3.504 -0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.420 1.462 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.375 1.656 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.063 4.132 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.288 3.700 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.669 1.756 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.172 3.125 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.949 4.334 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.649 2.732 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.520 4.203 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.638 2.944 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.959 4.496 3.554 1.00 0.00 H new ATOM 764 N ASP A 46 -10.134 0.315 -1.033 1.00 0.00 N ATOM 765 CA ASP A 46 -9.259 -0.839 -1.219 1.00 0.00 C ATOM 766 C ASP A 46 -10.077 -2.103 -1.471 1.00 0.00 C ATOM 767 O ASP A 46 -11.118 -2.313 -0.850 1.00 0.00 O ATOM 768 CB ASP A 46 -8.363 -1.031 0.006 1.00 0.00 C ATOM 769 CG ASP A 46 -7.398 -2.190 -0.156 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.224 -2.664 -1.298 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.817 -2.625 0.861 1.00 0.00 O ATOM 0 H ASP A 46 -11.130 0.100 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.631 -0.653 -2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.799 -0.116 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.986 -1.201 0.884 1.00 0.00 H new ATOM 776 N HIS A 47 -9.597 -2.940 -2.385 1.00 0.00 N ATOM 777 CA HIS A 47 -10.286 -4.183 -2.716 1.00 0.00 C ATOM 778 C HIS A 47 -9.286 -5.280 -3.076 1.00 0.00 C ATOM 779 O HIS A 47 -8.244 -5.009 -3.674 1.00 0.00 O ATOM 780 CB HIS A 47 -11.256 -3.959 -3.878 1.00 0.00 C ATOM 781 CG HIS A 47 -10.633 -3.275 -5.056 1.00 0.00 C ATOM 782 ND1 HIS A 47 -10.695 -1.912 -5.255 1.00 0.00 N ATOM 783 CD2 HIS A 47 -9.932 -3.774 -6.101 1.00 0.00 C ATOM 784 CE1 HIS A 47 -10.060 -1.603 -6.371 1.00 0.00 C ATOM 785 NE2 HIS A 47 -9.588 -2.714 -6.904 1.00 0.00 N ATOM 0 H HIS A 47 -8.736 -2.781 -2.909 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.849 -4.503 -1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.656 -4.921 -4.197 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.099 -3.364 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.689 -4.812 -6.272 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.946 -0.609 -6.778 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.055 -2.776 -7.771 1.00 0.00 H new ATOM 794 N PRO A 48 -9.593 -6.539 -2.717 1.00 0.00 N ATOM 795 CA PRO A 48 -8.715 -7.676 -3.005 1.00 0.00 C ATOM 796 C PRO A 48 -8.759 -8.086 -4.474 1.00 0.00 C ATOM 797 O PRO A 48 -9.522 -7.524 -5.262 1.00 0.00 O ATOM 798 CB PRO A 48 -9.284 -8.787 -2.124 1.00 0.00 C ATOM 799 CG PRO A 48 -10.729 -8.455 -1.988 1.00 0.00 C ATOM 800 CD PRO A 48 -10.815 -6.952 -2.001 1.00 0.00 C ATOM 0 HA PRO A 48 -7.668 -7.446 -2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.144 -9.767 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.790 -8.815 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.306 -8.885 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.137 -8.861 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.714 -6.607 -2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.845 -6.544 -0.991 1.00 0.00 H new ATOM 808 N LEU A 49 -7.939 -9.067 -4.835 1.00 0.00 N ATOM 809 CA LEU A 49 -7.886 -9.552 -6.208 1.00 0.00 C ATOM 810 C LEU A 49 -8.297 -11.019 -6.281 1.00 0.00 C ATOM 811 O LEU A 49 -8.692 -11.613 -5.277 1.00 0.00 O ATOM 812 CB LEU A 49 -6.478 -9.375 -6.780 1.00 0.00 C ATOM 813 CG LEU A 49 -5.959 -7.936 -6.790 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.443 -7.915 -6.662 1.00 0.00 C ATOM 815 CD2 LEU A 49 -6.400 -7.220 -8.057 1.00 0.00 C ATOM 0 H LEU A 49 -7.302 -9.542 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.587 -8.966 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.788 -9.990 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.467 -9.756 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.382 -7.410 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.091 -6.883 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.150 -8.390 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.000 -8.457 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.022 -6.198 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.006 -7.745 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.489 -7.204 -8.106 1.00 0.00 H new ATOM 827 N LYS A 50 -8.201 -11.598 -7.472 1.00 0.00 N ATOM 828 CA LYS A 50 -8.564 -12.995 -7.673 1.00 0.00 C ATOM 829 C LYS A 50 -7.900 -13.556 -8.927 1.00 0.00 C ATOM 830 O LYS A 50 -7.363 -12.809 -9.745 1.00 0.00 O ATOM 831 CB LYS A 50 -10.085 -13.138 -7.773 1.00 0.00 C ATOM 832 CG LYS A 50 -10.715 -13.793 -6.553 1.00 0.00 C ATOM 833 CD LYS A 50 -11.784 -14.800 -6.949 1.00 0.00 C ATOM 834 CE LYS A 50 -11.248 -16.222 -6.917 1.00 0.00 C ATOM 835 NZ LYS A 50 -11.870 -17.076 -7.966 1.00 0.00 N ATOM 0 H LYS A 50 -7.875 -11.122 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.210 -13.565 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.526 -12.151 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.329 -13.726 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.943 -14.292 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.154 -13.027 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.634 -14.715 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.149 -14.570 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.167 -16.205 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.436 -16.658 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.477 -18.037 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.899 -17.114 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.670 -16.675 -8.904 1.00 0.00 H new ATOM 849 N GLY A 51 -7.940 -14.877 -9.070 1.00 0.00 N ATOM 850 CA GLY A 51 -7.339 -15.517 -10.227 1.00 0.00 C ATOM 851 C GLY A 51 -6.417 -16.657 -9.841 1.00 0.00 C ATOM 852 O GLY A 51 -6.577 -17.781 -10.317 1.00 0.00 O ATOM 0 H GLY A 51 -8.378 -15.516 -8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.126 -15.895 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.778 -14.777 -10.798 1.00 0.00 H new ATOM 856 N GLY A 52 -5.451 -16.367 -8.976 1.00 0.00 N ATOM 857 CA GLY A 52 -4.515 -17.387 -8.542 1.00 0.00 C ATOM 858 C GLY A 52 -3.471 -16.848 -7.581 1.00 0.00 C ATOM 859 O GLY A 52 -2.312 -17.262 -7.620 1.00 0.00 O ATOM 0 H GLY A 52 -5.300 -15.444 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.063 -18.197 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.017 -17.813 -9.413 1.00 0.00 H new ATOM 863 N LEU A 53 -3.881 -15.922 -6.721 1.00 0.00 N ATOM 864 CA LEU A 53 -2.971 -15.327 -5.747 1.00 0.00 C ATOM 865 C LEU A 53 -3.646 -15.189 -4.386 1.00 0.00 C ATOM 866 O LEU A 53 -3.231 -15.815 -3.411 1.00 0.00 O ATOM 867 CB LEU A 53 -2.494 -13.957 -6.233 1.00 0.00 C ATOM 868 CG LEU A 53 -2.181 -13.872 -7.729 1.00 0.00 C ATOM 869 CD1 LEU A 53 -3.324 -13.200 -8.476 1.00 0.00 C ATOM 870 CD2 LEU A 53 -0.878 -13.121 -7.962 1.00 0.00 C ATOM 0 H LEU A 53 -4.836 -15.567 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.110 -15.987 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.259 -13.218 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.600 -13.682 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.067 -14.886 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.084 -13.148 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.238 -13.778 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.470 -12.192 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.673 -13.071 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.964 -12.111 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.063 -13.642 -7.460 1.00 0.00 H new ATOM 882 N LYS A 54 -4.686 -14.363 -4.328 1.00 0.00 N ATOM 883 CA LYS A 54 -5.417 -14.143 -3.085 1.00 0.00 C ATOM 884 C LYS A 54 -4.505 -13.556 -2.013 1.00 0.00 C ATOM 885 O LYS A 54 -4.660 -13.842 -0.826 1.00 0.00 O ATOM 886 CB LYS A 54 -6.032 -15.453 -2.589 1.00 0.00 C ATOM 887 CG LYS A 54 -6.973 -16.102 -3.592 1.00 0.00 C ATOM 888 CD LYS A 54 -7.250 -17.553 -3.235 1.00 0.00 C ATOM 889 CE LYS A 54 -6.324 -18.498 -3.984 1.00 0.00 C ATOM 890 NZ LYS A 54 -7.004 -19.139 -5.144 1.00 0.00 N ATOM 0 H LYS A 54 -5.041 -13.836 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.216 -13.430 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.231 -16.153 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.576 -15.262 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.911 -15.548 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.537 -16.048 -4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.125 -17.695 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.286 -17.795 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.450 -17.948 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.964 -19.269 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.339 -19.776 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.823 -19.685 -4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.325 -18.405 -5.807 1.00 0.00 H new ATOM 904 N ASP A 55 -3.553 -12.734 -2.441 1.00 0.00 N ATOM 905 CA ASP A 55 -2.613 -12.105 -1.520 1.00 0.00 C ATOM 906 C ASP A 55 -2.384 -10.644 -1.891 1.00 0.00 C ATOM 907 O ASP A 55 -2.396 -9.766 -1.030 1.00 0.00 O ATOM 908 CB ASP A 55 -1.282 -12.861 -1.522 1.00 0.00 C ATOM 909 CG ASP A 55 -1.209 -13.906 -0.426 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.780 -13.669 0.659 1.00 0.00 O ATOM 911 OD2 ASP A 55 -0.581 -14.961 -0.653 1.00 0.00 O ATOM 0 H ASP A 55 -3.412 -12.487 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.042 -12.143 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.143 -13.343 -2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.464 -12.151 -1.399 1.00 0.00 H new ATOM 916 N PHE A 56 -2.174 -10.392 -3.180 1.00 0.00 N ATOM 917 CA PHE A 56 -1.943 -9.036 -3.667 1.00 0.00 C ATOM 918 C PHE A 56 -3.135 -8.137 -3.360 1.00 0.00 C ATOM 919 O PHE A 56 -4.273 -8.602 -3.281 1.00 0.00 O ATOM 920 CB PHE A 56 -1.674 -9.051 -5.172 1.00 0.00 C ATOM 921 CG PHE A 56 -0.242 -9.330 -5.525 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.731 -8.356 -5.358 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.134 -10.567 -6.024 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.049 -8.611 -5.682 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.453 -10.828 -6.349 1.00 0.00 C ATOM 926 CZ PHE A 56 2.411 -9.848 -6.178 1.00 0.00 C ATOM 0 H PHE A 56 -2.159 -11.109 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.069 -8.636 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.308 -9.805 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.962 -8.088 -5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.455 -7.387 -4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.612 -11.336 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.797 -7.843 -5.548 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.733 -11.797 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.441 -10.049 -6.432 1.00 0.00 H new ATOM 936 N ARG A 57 -2.867 -6.847 -3.187 1.00 0.00 N ATOM 937 CA ARG A 57 -3.913 -5.877 -2.886 1.00 0.00 C ATOM 938 C ARG A 57 -3.433 -4.458 -3.174 1.00 0.00 C ATOM 939 O ARG A 57 -2.270 -4.129 -2.944 1.00 0.00 O ATOM 940 CB ARG A 57 -4.343 -5.993 -1.422 1.00 0.00 C ATOM 941 CG ARG A 57 -5.215 -7.205 -1.136 1.00 0.00 C ATOM 942 CD ARG A 57 -6.099 -6.981 0.081 1.00 0.00 C ATOM 943 NE ARG A 57 -6.950 -8.135 0.358 1.00 0.00 N ATOM 944 CZ ARG A 57 -7.679 -8.270 1.464 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.661 -7.325 2.397 1.00 0.00 N ATOM 946 NH2 ARG A 57 -8.427 -9.351 1.638 1.00 0.00 N ATOM 0 H ARG A 57 -1.930 -6.448 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.769 -6.092 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.453 -6.040 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.886 -5.091 -1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.838 -7.420 -2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.584 -8.078 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.474 -6.774 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.722 -6.101 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.988 -8.881 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.087 -6.492 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.221 -7.433 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.444 -10.080 0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.985 -9.454 2.485 1.00 0.00 H new ATOM 960 N GLU A 58 -4.335 -3.624 -3.681 1.00 0.00 N ATOM 961 CA GLU A 58 -4.001 -2.241 -4.003 1.00 0.00 C ATOM 962 C GLU A 58 -4.957 -1.271 -3.319 1.00 0.00 C ATOM 963 O GLU A 58 -6.160 -1.521 -3.240 1.00 0.00 O ATOM 964 CB GLU A 58 -4.036 -2.027 -5.517 1.00 0.00 C ATOM 965 CG GLU A 58 -3.676 -0.612 -5.942 1.00 0.00 C ATOM 966 CD GLU A 58 -4.896 0.224 -6.274 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.964 -0.021 -5.677 1.00 0.00 O ATOM 968 OE2 GLU A 58 -4.783 1.124 -7.133 1.00 0.00 O ATOM 0 H GLU A 58 -5.302 -3.881 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.994 -2.044 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.346 -2.726 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.034 -2.265 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.115 -0.128 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.020 -0.653 -6.812 1.00 0.00 H new ATOM 975 N CYS A 59 -4.414 -0.162 -2.828 1.00 0.00 N ATOM 976 CA CYS A 59 -5.217 0.850 -2.152 1.00 0.00 C ATOM 977 C CYS A 59 -4.693 2.249 -2.456 1.00 0.00 C ATOM 978 O CYS A 59 -3.544 2.416 -2.868 1.00 0.00 O ATOM 979 CB CYS A 59 -5.216 0.608 -0.641 1.00 0.00 C ATOM 980 SG CYS A 59 -3.591 0.779 0.133 1.00 0.00 S ATOM 0 H CYS A 59 -3.420 0.059 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.239 0.775 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.906 1.309 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.597 -0.394 -0.444 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.047 -0.394 0.263 1.00 0.00 H new ATOM 986 N HIS A 60 -5.540 3.252 -2.252 1.00 0.00 N ATOM 987 CA HIS A 60 -5.158 4.637 -2.506 1.00 0.00 C ATOM 988 C HIS A 60 -4.982 5.403 -1.200 1.00 0.00 C ATOM 989 O HIS A 60 -5.886 6.114 -0.760 1.00 0.00 O ATOM 990 CB HIS A 60 -6.209 5.324 -3.378 1.00 0.00 C ATOM 991 CG HIS A 60 -6.203 4.859 -4.802 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.132 5.722 -5.875 1.00 0.00 N ATOM 993 CD2 HIS A 60 -6.258 3.612 -5.327 1.00 0.00 C ATOM 994 CE1 HIS A 60 -6.145 5.025 -6.998 1.00 0.00 C ATOM 995 NE2 HIS A 60 -6.220 3.745 -6.693 1.00 0.00 N ATOM 0 H HIS A 60 -6.494 3.133 -1.912 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.204 4.634 -3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.196 5.147 -2.951 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.041 6.401 -3.355 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.078 6.739 -5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.320 2.686 -4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.102 5.435 -7.996 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.813 5.256 -0.585 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.517 5.938 0.669 1.00 0.00 C ATOM 1006 C LEU A 61 -3.608 7.451 0.498 1.00 0.00 C ATOM 1007 O LEU A 61 -4.000 8.169 1.417 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.123 5.552 1.169 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.963 6.065 0.314 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.517 7.439 0.788 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.201 5.081 0.347 1.00 0.00 C ATOM 0 H LEU A 61 -3.055 4.670 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.257 5.627 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.001 5.929 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.061 4.465 1.223 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.308 6.154 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.309 7.787 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.349 8.139 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.190 7.377 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.017 5.462 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.545 4.959 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.126 4.117 -0.043 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.248 7.925 -0.690 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.289 9.350 -0.992 1.00 0.00 C ATOM 1025 C LYS A 62 -4.394 9.655 -2.004 1.00 0.00 C ATOM 1026 O LYS A 62 -4.985 8.741 -2.577 1.00 0.00 O ATOM 1027 CB LYS A 62 -1.933 9.816 -1.530 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.164 10.697 -0.557 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.390 11.785 -1.284 1.00 0.00 C ATOM 1030 CE LYS A 62 0.975 12.013 -0.655 1.00 0.00 C ATOM 1031 NZ LYS A 62 0.886 12.180 0.822 1.00 0.00 N ATOM 0 H LYS A 62 -2.924 7.341 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.507 9.892 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.328 8.943 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.089 10.364 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.858 11.153 0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.474 10.084 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.268 11.508 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.960 12.714 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.626 11.170 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.433 12.900 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.710 12.717 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.015 12.695 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.871 11.245 1.277 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.690 10.946 -2.235 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.735 11.357 -3.180 1.00 0.00 C ATOM 1047 C PRO A 63 -5.373 11.057 -4.634 1.00 0.00 C ATOM 1048 O PRO A 63 -6.207 11.195 -5.527 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.845 12.869 -2.958 1.00 0.00 C ATOM 1050 CG PRO A 63 -4.523 13.272 -2.405 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.040 12.104 -1.592 1.00 0.00 C ATOM 0 HA PRO A 63 -6.665 10.816 -3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.059 13.391 -3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.652 13.109 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.821 13.507 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.614 14.166 -1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.954 12.019 -1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.329 12.197 -0.545 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.129 10.645 -4.867 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.673 10.330 -6.216 1.00 0.00 C ATOM 1061 C ASP A 64 -2.455 9.410 -6.182 1.00 0.00 C ATOM 1062 O ASP A 64 -1.391 9.751 -6.700 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.340 11.617 -6.976 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.782 11.563 -8.425 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.494 10.548 -9.096 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.413 12.535 -8.890 1.00 0.00 O ATOM 0 H ASP A 64 -3.422 10.522 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.479 9.809 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.822 12.462 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.265 11.793 -6.933 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.618 8.242 -5.569 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.531 7.274 -5.469 1.00 0.00 C ATOM 1073 C LEU A 65 -2.071 5.851 -5.384 1.00 0.00 C ATOM 1074 O LEU A 65 -3.170 5.621 -4.879 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.664 7.576 -4.244 1.00 0.00 C ATOM 1076 CG LEU A 65 0.542 8.479 -4.508 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.141 9.946 -4.441 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.654 8.180 -3.513 1.00 0.00 C ATOM 0 H LEU A 65 -3.491 7.943 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.922 7.357 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.289 8.044 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.308 6.633 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 65 0.913 8.275 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.014 10.571 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.622 10.149 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.256 10.170 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.506 8.830 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.293 8.356 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.961 7.139 -3.612 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.288 4.895 -5.877 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.684 3.490 -5.854 1.00 0.00 C ATOM 1092 C LEU A 66 -0.691 2.669 -5.041 1.00 0.00 C ATOM 1093 O LEU A 66 0.429 2.414 -5.487 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.781 2.923 -7.276 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.996 3.957 -8.388 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.706 4.192 -9.157 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -3.103 3.504 -9.330 1.00 0.00 C ATOM 0 H LEU A 66 -0.375 5.068 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.667 3.428 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.867 2.370 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.602 2.206 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.297 4.898 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.879 4.929 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.061 4.560 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.374 3.256 -9.605 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.242 4.249 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.829 2.550 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.031 3.387 -8.771 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.102 2.255 -3.848 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.239 1.463 -2.983 1.00 0.00 C ATOM 1111 C LEU A 67 -0.521 -0.027 -3.127 1.00 0.00 C ATOM 1112 O LEU A 67 -1.431 -0.562 -2.497 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.400 1.880 -1.522 1.00 0.00 C ATOM 1114 CG LEU A 67 0.286 0.951 -0.521 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.799 1.005 -0.683 1.00 0.00 C ATOM 1116 CD2 LEU A 67 -0.123 1.298 0.902 1.00 0.00 C ATOM 0 H LEU A 67 -2.024 2.454 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 67 0.789 1.651 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.000 2.886 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.463 1.928 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.037 -0.070 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.266 0.336 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.068 0.694 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.147 2.024 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.377 0.625 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.164 2.326 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.203 1.192 1.006 1.00 0.00 H new ATOM 1128 N VAL A 68 0.283 -0.692 -3.945 1.00 0.00 N ATOM 1129 CA VAL A 68 0.140 -2.125 -4.156 1.00 0.00 C ATOM 1130 C VAL A 68 1.077 -2.886 -3.227 1.00 0.00 C ATOM 1131 O VAL A 68 2.284 -2.657 -3.230 1.00 0.00 O ATOM 1132 CB VAL A 68 0.444 -2.517 -5.614 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.136 -3.989 -5.846 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.343 -1.641 -6.576 1.00 0.00 C ATOM 0 H VAL A 68 1.042 -0.261 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.895 -2.387 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 68 1.506 -2.359 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.357 -4.248 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.748 -4.598 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.918 -4.177 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.116 -1.932 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.410 -1.765 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.068 -0.597 -6.426 1.00 0.00 H new ATOM 1144 N TYR A 69 0.520 -3.785 -2.424 1.00 0.00 N ATOM 1145 CA TYR A 69 1.320 -4.569 -1.491 1.00 0.00 C ATOM 1146 C TYR A 69 0.828 -6.009 -1.415 1.00 0.00 C ATOM 1147 O TYR A 69 -0.160 -6.375 -2.054 1.00 0.00 O ATOM 1148 CB TYR A 69 1.296 -3.936 -0.097 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.096 -3.630 0.413 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.019 -4.647 0.628 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.484 -2.325 0.684 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.289 -4.369 1.096 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -1.752 -2.039 1.152 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.650 -3.065 1.357 1.00 0.00 C ATOM 1155 OH TYR A 69 -3.914 -2.784 1.824 1.00 0.00 O ATOM 0 H TYR A 69 -0.479 -3.989 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 69 2.345 -4.576 -1.861 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.790 -4.608 0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.876 -3.013 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.739 -5.670 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.218 -1.519 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.995 -5.170 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.038 -1.018 1.356 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.179 -3.463 2.480 1.00 0.00 H new ATOM 1165 N GLN A 70 1.521 -6.821 -0.626 1.00 0.00 N ATOM 1166 CA GLN A 70 1.161 -8.223 -0.457 1.00 0.00 C ATOM 1167 C GLN A 70 1.417 -8.675 0.978 1.00 0.00 C ATOM 1168 O GLN A 70 2.565 -8.857 1.385 1.00 0.00 O ATOM 1169 CB GLN A 70 1.954 -9.096 -1.434 1.00 0.00 C ATOM 1170 CG GLN A 70 1.089 -10.076 -2.212 1.00 0.00 C ATOM 1171 CD GLN A 70 1.816 -11.367 -2.532 1.00 0.00 C ATOM 1172 OE1 GLN A 70 2.855 -11.671 -1.946 1.00 0.00 O ATOM 1173 NE2 GLN A 70 1.269 -12.137 -3.466 1.00 0.00 N ATOM 0 H GLN A 70 2.339 -6.531 -0.091 1.00 0.00 H new ATOM 0 HA GLN A 70 0.098 -8.332 -0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.482 -8.452 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.711 -9.652 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.192 -10.302 -1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.761 -9.608 -3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.407 -11.846 -3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.711 -13.019 -3.723 1.00 0.00 H new ATOM 1182 N ILE A 71 0.343 -8.852 1.740 1.00 0.00 N ATOM 1183 CA ILE A 71 0.455 -9.279 3.129 1.00 0.00 C ATOM 1184 C ILE A 71 0.553 -10.799 3.225 1.00 0.00 C ATOM 1185 O ILE A 71 -0.160 -11.524 2.532 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.747 -8.784 3.969 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.645 -7.276 4.205 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.824 -9.521 5.301 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.564 -6.463 2.933 1.00 0.00 C ATOM 0 H ILE A 71 -0.614 -8.706 1.419 1.00 0.00 H new ATOM 0 HA ILE A 71 1.367 -8.836 3.530 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.659 -8.994 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.511 -6.948 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.237 -7.072 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.677 -9.154 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.941 -10.589 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.092 -9.348 5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.494 -5.404 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.318 -6.762 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.457 -6.636 2.333 1.00 0.00 H new ATOM 1201 N LYS A 72 1.441 -11.272 4.095 1.00 0.00 N ATOM 1202 CA LYS A 72 1.633 -12.703 4.291 1.00 0.00 C ATOM 1203 C LYS A 72 1.294 -13.098 5.726 1.00 0.00 C ATOM 1204 O LYS A 72 2.086 -12.884 6.643 1.00 0.00 O ATOM 1205 CB LYS A 72 3.074 -13.096 3.966 1.00 0.00 C ATOM 1206 CG LYS A 72 4.111 -12.147 4.548 1.00 0.00 C ATOM 1207 CD LYS A 72 4.576 -11.130 3.517 1.00 0.00 C ATOM 1208 CE LYS A 72 6.079 -10.905 3.595 1.00 0.00 C ATOM 1209 NZ LYS A 72 6.802 -11.591 2.488 1.00 0.00 N ATOM 0 H LYS A 72 2.039 -10.683 4.675 1.00 0.00 H new ATOM 0 HA LYS A 72 0.962 -13.234 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.261 -14.101 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.196 -13.134 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.688 -11.628 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.966 -12.718 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.310 -11.475 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.057 -10.185 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.288 -9.836 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.451 -11.269 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.823 -11.413 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.623 -12.614 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.465 -11.225 1.574 1.00 0.00 H new ATOM 1223 N LYS A 73 0.109 -13.672 5.909 1.00 0.00 N ATOM 1224 CA LYS A 73 -0.342 -14.094 7.231 1.00 0.00 C ATOM 1225 C LYS A 73 0.603 -15.132 7.834 1.00 0.00 C ATOM 1226 O LYS A 73 0.622 -15.329 9.049 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.760 -14.663 7.150 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.924 -15.742 6.093 1.00 0.00 C ATOM 1229 CD LYS A 73 -3.314 -16.353 6.135 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.368 -15.374 5.644 1.00 0.00 C ATOM 1231 NZ LYS A 73 -4.715 -15.603 4.215 1.00 0.00 N ATOM 0 H LYS A 73 -0.557 -13.856 5.158 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.343 -13.218 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.033 -15.074 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.457 -13.851 6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.741 -15.317 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.178 -16.521 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.336 -17.252 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.547 -16.659 7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.265 -15.470 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.004 -14.355 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.437 -14.915 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.864 -15.487 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.087 -16.567 4.098 1.00 0.00 H new ATOM 1245 N GLN A 74 1.382 -15.794 6.983 1.00 0.00 N ATOM 1246 CA GLN A 74 2.323 -16.811 7.443 1.00 0.00 C ATOM 1247 C GLN A 74 3.240 -16.257 8.529 1.00 0.00 C ATOM 1248 O GLN A 74 3.665 -16.984 9.428 1.00 0.00 O ATOM 1249 CB GLN A 74 3.156 -17.335 6.272 1.00 0.00 C ATOM 1250 CG GLN A 74 3.818 -16.236 5.456 1.00 0.00 C ATOM 1251 CD GLN A 74 5.297 -16.485 5.226 1.00 0.00 C ATOM 1252 OE1 GLN A 74 5.917 -17.294 5.916 1.00 0.00 O ATOM 1253 NE2 GLN A 74 5.869 -15.788 4.251 1.00 0.00 N ATOM 0 H GLN A 74 1.381 -15.645 5.974 1.00 0.00 H new ATOM 0 HA GLN A 74 1.748 -17.634 7.866 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.926 -18.005 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.516 -17.926 5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.314 -16.151 4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.690 -15.282 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.316 -15.128 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.861 -15.913 4.049 1.00 0.00 H new ATOM 1262 N GLU A 75 3.542 -14.966 8.441 1.00 0.00 N ATOM 1263 CA GLU A 75 4.408 -14.315 9.420 1.00 0.00 C ATOM 1264 C GLU A 75 3.973 -12.871 9.672 1.00 0.00 C ATOM 1265 O GLU A 75 4.739 -12.072 10.210 1.00 0.00 O ATOM 1266 CB GLU A 75 5.862 -14.346 8.945 1.00 0.00 C ATOM 1267 CG GLU A 75 6.027 -14.028 7.468 1.00 0.00 C ATOM 1268 CD GLU A 75 7.432 -14.303 6.966 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.341 -13.506 7.281 1.00 0.00 O ATOM 1270 OE2 GLU A 75 7.623 -15.315 6.261 1.00 0.00 O ATOM 0 H GLU A 75 3.201 -14.350 7.703 1.00 0.00 H new ATOM 0 HA GLU A 75 4.324 -14.865 10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.441 -13.631 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.280 -15.333 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.317 -14.620 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.782 -12.980 7.296 1.00 0.00 H new ATOM 1277 N ASN A 76 2.743 -12.541 9.284 1.00 0.00 N ATOM 1278 CA ASN A 76 2.209 -11.195 9.474 1.00 0.00 C ATOM 1279 C ASN A 76 3.211 -10.131 9.027 1.00 0.00 C ATOM 1280 O ASN A 76 3.836 -9.467 9.854 1.00 0.00 O ATOM 1281 CB ASN A 76 1.838 -10.974 10.942 1.00 0.00 C ATOM 1282 CG ASN A 76 0.962 -12.083 11.491 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.421 -12.927 12.262 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.305 -12.087 11.097 1.00 0.00 N ATOM 0 H ASN A 76 2.096 -13.189 8.835 1.00 0.00 H new ATOM 0 HA ASN A 76 1.315 -11.102 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.748 -10.906 11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.319 -10.021 11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.942 -12.809 11.434 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.642 -11.368 10.457 1.00 0.00 H new ATOM 1291 N THR A 77 3.361 -9.976 7.715 1.00 0.00 N ATOM 1292 CA THR A 77 4.288 -8.994 7.165 1.00 0.00 C ATOM 1293 C THR A 77 3.635 -8.198 6.039 1.00 0.00 C ATOM 1294 O THR A 77 2.909 -8.751 5.211 1.00 0.00 O ATOM 1295 CB THR A 77 5.551 -9.690 6.652 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.215 -10.363 7.706 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.543 -8.740 6.017 1.00 0.00 C ATOM 0 H THR A 77 2.854 -10.517 7.015 1.00 0.00 H new ATOM 0 HA THR A 77 4.561 -8.301 7.961 1.00 0.00 H new ATOM 0 HB THR A 77 5.206 -10.390 5.891 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.497 -9.713 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.414 -9.299 5.675 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.076 -8.241 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.854 -7.995 6.750 1.00 0.00 H new ATOM 1305 N LEU A 78 3.902 -6.895 6.012 1.00 0.00 N ATOM 1306 CA LEU A 78 3.346 -6.019 4.985 1.00 0.00 C ATOM 1307 C LEU A 78 4.392 -5.708 3.920 1.00 0.00 C ATOM 1308 O LEU A 78 5.192 -4.785 4.071 1.00 0.00 O ATOM 1309 CB LEU A 78 2.834 -4.721 5.615 1.00 0.00 C ATOM 1310 CG LEU A 78 1.484 -4.235 5.089 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.918 -3.149 5.993 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.620 -3.724 3.663 1.00 0.00 C ATOM 0 H LEU A 78 4.500 -6.422 6.690 1.00 0.00 H new ATOM 0 HA LEU A 78 2.511 -6.534 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.757 -4.864 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.574 -3.938 5.450 1.00 0.00 H new ATOM 0 HG LEU A 78 0.792 -5.077 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.043 -2.815 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.783 -3.547 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.609 -2.306 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.649 -3.382 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.328 -2.895 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.981 -4.528 3.021 1.00 0.00 H new ATOM 1324 N PHE A 79 4.381 -6.490 2.846 1.00 0.00 N ATOM 1325 CA PHE A 79 5.330 -6.307 1.753 1.00 0.00 C ATOM 1326 C PHE A 79 4.755 -5.390 0.678 1.00 0.00 C ATOM 1327 O PHE A 79 3.797 -5.744 -0.009 1.00 0.00 O ATOM 1328 CB PHE A 79 5.703 -7.668 1.155 1.00 0.00 C ATOM 1329 CG PHE A 79 6.442 -7.589 -0.155 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.335 -6.558 -0.409 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.241 -8.552 -1.132 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.010 -6.490 -1.611 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.916 -8.487 -2.336 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.802 -7.456 -2.576 1.00 0.00 C ATOM 0 H PHE A 79 3.724 -7.258 2.709 1.00 0.00 H new ATOM 0 HA PHE A 79 6.229 -5.834 2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.318 -8.211 1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.793 -8.250 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.504 -5.800 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.550 -9.361 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.701 -5.681 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.750 -9.243 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.331 -7.405 -3.516 1.00 0.00 H new ATOM 1344 N LEU A 80 5.350 -4.209 0.533 1.00 0.00 N ATOM 1345 CA LEU A 80 4.904 -3.242 -0.462 1.00 0.00 C ATOM 1346 C LEU A 80 5.268 -3.708 -1.868 1.00 0.00 C ATOM 1347 O LEU A 80 5.997 -4.684 -2.039 1.00 0.00 O ATOM 1348 CB LEU A 80 5.526 -1.870 -0.187 1.00 0.00 C ATOM 1349 CG LEU A 80 5.433 -1.398 1.266 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.349 -0.207 1.499 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.996 -1.046 1.621 1.00 0.00 C ATOM 0 H LEU A 80 6.144 -3.900 1.094 1.00 0.00 H new ATOM 0 HA LEU A 80 3.819 -3.159 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.576 -1.899 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.039 -1.132 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 80 5.757 -2.212 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.270 0.115 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.379 -0.493 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.056 0.612 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.949 -0.712 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.645 -0.248 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.364 -1.925 1.493 1.00 0.00 H new ATOM 1363 N VAL A 81 4.755 -3.005 -2.874 1.00 0.00 N ATOM 1364 CA VAL A 81 5.027 -3.353 -4.265 1.00 0.00 C ATOM 1365 C VAL A 81 5.059 -2.108 -5.146 1.00 0.00 C ATOM 1366 O VAL A 81 6.098 -1.758 -5.704 1.00 0.00 O ATOM 1367 CB VAL A 81 3.975 -4.345 -4.813 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.220 -4.646 -6.285 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.975 -5.624 -3.990 1.00 0.00 C ATOM 0 H VAL A 81 4.150 -2.193 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 81 6.006 -3.831 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 81 2.992 -3.881 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.465 -5.346 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.160 -3.722 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.210 -5.086 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.229 -6.313 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.960 -6.088 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.735 -5.389 -2.953 1.00 0.00 H new ATOM 1379 N ARG A 82 3.914 -1.444 -5.270 1.00 0.00 N ATOM 1380 CA ARG A 82 3.816 -0.239 -6.087 1.00 0.00 C ATOM 1381 C ARG A 82 3.485 0.979 -5.230 1.00 0.00 C ATOM 1382 O ARG A 82 3.085 0.847 -4.073 1.00 0.00 O ATOM 1383 CB ARG A 82 2.754 -0.418 -7.173 1.00 0.00 C ATOM 1384 CG ARG A 82 3.169 0.139 -8.525 1.00 0.00 C ATOM 1385 CD ARG A 82 1.982 0.720 -9.277 1.00 0.00 C ATOM 1386 NE ARG A 82 2.169 0.660 -10.724 1.00 0.00 N ATOM 1387 CZ ARG A 82 2.043 -0.455 -11.442 1.00 0.00 C ATOM 1388 NH1 ARG A 82 1.726 -1.602 -10.851 1.00 0.00 N ATOM 1389 NH2 ARG A 82 2.232 -0.423 -12.754 1.00 0.00 N ATOM 0 H ARG A 82 3.043 -1.719 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 82 4.784 -0.073 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.530 -1.479 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.834 0.072 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.925 0.911 -8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.627 -0.651 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.078 0.174 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.832 1.756 -8.973 1.00 0.00 H new ATOM 0 HE ARG A 82 2.410 1.522 -11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.578 -1.632 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.631 -2.452 -11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.474 0.455 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.136 -1.277 -13.304 1.00 0.00 H new ATOM 1403 N LEU A 83 3.652 2.165 -5.806 1.00 0.00 N ATOM 1404 CA LEU A 83 3.370 3.409 -5.099 1.00 0.00 C ATOM 1405 C LEU A 83 3.621 4.615 -5.999 1.00 0.00 C ATOM 1406 O LEU A 83 4.737 4.825 -6.474 1.00 0.00 O ATOM 1407 CB LEU A 83 4.234 3.512 -3.840 1.00 0.00 C ATOM 1408 CG LEU A 83 3.579 4.242 -2.665 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.089 3.689 -1.342 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.842 5.736 -2.755 1.00 0.00 C ATOM 0 H LEU A 83 3.982 2.291 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 83 2.319 3.404 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.503 2.506 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.162 4.024 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 83 2.503 4.078 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.613 4.220 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.851 2.627 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.169 3.823 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.369 6.240 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.916 5.918 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.429 6.123 -3.687 1.00 0.00 H new ATOM 1422 N GLY A 84 2.576 5.402 -6.230 1.00 0.00 N ATOM 1423 CA GLY A 84 2.706 6.577 -7.073 1.00 0.00 C ATOM 1424 C GLY A 84 1.470 6.825 -7.915 1.00 0.00 C ATOM 1425 O GLY A 84 0.428 6.210 -7.697 1.00 0.00 O ATOM 0 H GLY A 84 1.642 5.248 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.897 7.449 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.570 6.458 -7.727 1.00 0.00 H new ATOM 1429 N SER A 85 1.587 7.731 -8.881 1.00 0.00 N ATOM 1430 CA SER A 85 0.471 8.060 -9.759 1.00 0.00 C ATOM 1431 C SER A 85 0.605 7.350 -11.101 1.00 0.00 C ATOM 1432 O SER A 85 1.624 6.721 -11.383 1.00 0.00 O ATOM 1433 CB SER A 85 0.395 9.573 -9.975 1.00 0.00 C ATOM 1434 OG SER A 85 -0.856 9.947 -10.528 1.00 0.00 O ATOM 0 H SER A 85 2.443 8.250 -9.075 1.00 0.00 H new ATOM 0 HA SER A 85 -0.447 7.720 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.545 10.087 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.199 9.890 -10.639 1.00 0.00 H new ATOM 0 HG SER A 85 -1.513 10.052 -9.809 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.432 7.454 -11.926 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.431 6.821 -13.241 1.00 0.00 C ATOM 1442 C HIS A 86 0.376 7.644 -14.239 1.00 0.00 C ATOM 1443 O HIS A 86 1.113 7.093 -15.058 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.865 6.647 -13.746 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.036 5.486 -14.675 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.532 5.612 -15.956 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.771 4.169 -14.506 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.566 4.424 -16.532 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -2.109 3.531 -15.673 1.00 0.00 N ATOM 0 H HIS A 86 -1.284 7.971 -11.708 1.00 0.00 H new ATOM 0 HA HIS A 86 0.035 5.840 -13.146 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.529 6.519 -12.891 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.175 7.559 -14.256 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.368 3.706 -13.617 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.909 4.218 -17.535 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -2.022 2.530 -15.848 1.00 0.00 H new ATOM 1458 N SER A 87 0.232 8.962 -14.166 1.00 0.00 N ATOM 1459 CA SER A 87 0.947 9.860 -15.065 1.00 0.00 C ATOM 1460 C SER A 87 2.420 9.955 -14.680 1.00 0.00 C ATOM 1461 O SER A 87 3.285 10.145 -15.536 1.00 0.00 O ATOM 1462 CB SER A 87 0.312 11.251 -15.043 1.00 0.00 C ATOM 1463 OG SER A 87 -0.801 11.317 -15.918 1.00 0.00 O ATOM 0 H SER A 87 -0.373 9.433 -13.493 1.00 0.00 H new ATOM 0 HA SER A 87 0.878 9.453 -16.074 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.004 11.494 -14.029 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.052 11.997 -15.334 1.00 0.00 H new ATOM 0 HG SER A 87 -1.190 12.216 -15.885 1.00 0.00 H new ATOM 1469 N GLU A 88 2.699 9.822 -13.387 1.00 0.00 N ATOM 1470 CA GLU A 88 4.068 9.892 -12.889 1.00 0.00 C ATOM 1471 C GLU A 88 4.872 8.677 -13.339 1.00 0.00 C ATOM 1472 O GLU A 88 6.080 8.765 -13.558 1.00 0.00 O ATOM 1473 CB GLU A 88 4.074 9.988 -11.363 1.00 0.00 C ATOM 1474 CG GLU A 88 5.111 10.957 -10.818 1.00 0.00 C ATOM 1475 CD GLU A 88 4.711 12.407 -11.013 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.360 12.778 -12.153 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.749 13.171 -10.026 1.00 0.00 O ATOM 0 H GLU A 88 1.995 9.665 -12.665 1.00 0.00 H new ATOM 0 HA GLU A 88 4.534 10.786 -13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.086 10.297 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.259 8.998 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.260 10.765 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.066 10.777 -11.312 1.00 0.00 H new ATOM 1484 N LEU A 89 4.192 7.542 -13.475 1.00 0.00 N ATOM 1485 CA LEU A 89 4.843 6.307 -13.900 1.00 0.00 C ATOM 1486 C LEU A 89 5.119 6.329 -15.401 1.00 0.00 C ATOM 1487 O LEU A 89 6.257 6.514 -15.830 1.00 0.00 O ATOM 1488 CB LEU A 89 3.973 5.100 -13.543 1.00 0.00 C ATOM 1489 CG LEU A 89 4.363 4.379 -12.252 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.697 3.670 -12.419 1.00 0.00 C ATOM 1491 CD2 LEU A 89 4.421 5.360 -11.091 1.00 0.00 C ATOM 0 H LEU A 89 3.192 7.452 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 89 5.795 6.225 -13.376 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.938 5.430 -13.458 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.013 4.386 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 89 3.602 3.630 -12.032 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.958 3.163 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.622 2.938 -13.224 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.469 4.400 -12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.700 4.830 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.161 6.131 -11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.443 5.823 -10.956 1.00 0.00 H new ATOM 1503 N PHE A 90 4.069 6.136 -16.193 1.00 0.00 N ATOM 1504 CA PHE A 90 4.197 6.133 -17.645 1.00 0.00 C ATOM 1505 C PHE A 90 4.614 7.508 -18.158 1.00 0.00 C ATOM 1506 O PHE A 90 3.965 8.503 -17.774 1.00 0.00 O ATOM 1507 CB PHE A 90 2.877 5.713 -18.293 1.00 0.00 C ATOM 1508 CG PHE A 90 2.400 4.356 -17.860 1.00 0.00 C ATOM 1509 CD1 PHE A 90 1.641 4.208 -16.710 1.00 0.00 C ATOM 1510 CD2 PHE A 90 2.711 3.228 -18.603 1.00 0.00 C ATOM 1511 CE1 PHE A 90 1.201 2.962 -16.309 1.00 0.00 C ATOM 1512 CE2 PHE A 90 2.273 1.979 -18.207 1.00 0.00 C ATOM 1513 CZ PHE A 90 1.518 1.846 -17.058 1.00 0.00 C ATOM 0 H PHE A 90 3.120 5.980 -15.853 1.00 0.00 H new ATOM 0 HA PHE A 90 4.971 5.415 -17.915 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.112 6.452 -18.052 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.996 5.719 -19.377 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.391 5.078 -16.120 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.302 3.327 -19.501 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.610 2.860 -15.411 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.521 1.108 -18.795 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.176 0.870 -16.746 1.00 0.00 H new TER 1523 PHE A 90