USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 4 THR OG1 : rot -76:sc= 0.72 USER MOD Set 1.2: A 7 THR OG1 : rot 130:sc= 1.03 USER MOD Single : A 3 TYR OH : rot -56:sc= 0.117 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 150:sc= -0.756 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.184 F(o=-3.2!,f=-0.18) USER MOD Single : A 50 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot -82:sc= 1.58 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.777 -15.015 -9.541 1.00 0.00 N ATOM 38 CA TYR A 3 -15.389 -13.914 -8.671 1.00 0.00 C ATOM 39 C TYR A 3 -16.036 -14.082 -7.310 1.00 0.00 C ATOM 40 O TYR A 3 -17.210 -13.759 -7.128 1.00 0.00 O ATOM 41 CB TYR A 3 -15.840 -12.587 -9.281 1.00 0.00 C ATOM 42 CG TYR A 3 -15.288 -12.467 -10.677 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.037 -11.878 -10.891 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.028 -12.955 -11.760 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.529 -11.777 -12.189 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.518 -12.851 -13.058 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.268 -12.263 -13.272 1.00 0.00 C ATOM 48 OH TYR A 3 -13.761 -12.163 -14.551 1.00 0.00 O ATOM 0 HA TYR A 3 -14.304 -13.915 -8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.929 -12.535 -9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.493 -11.755 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.465 -11.502 -10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.992 -13.412 -11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.564 -11.323 -12.356 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.090 -13.225 -13.895 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.550 -11.226 -14.747 1.00 0.00 H new ATOM 58 N THR A 4 -15.272 -14.603 -6.351 1.00 0.00 N ATOM 59 CA THR A 4 -15.795 -14.822 -5.001 1.00 0.00 C ATOM 60 C THR A 4 -15.224 -13.787 -4.029 1.00 0.00 C ATOM 61 O THR A 4 -14.158 -13.221 -4.277 1.00 0.00 O ATOM 62 CB THR A 4 -15.435 -16.237 -4.513 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.249 -16.186 -3.733 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.222 -17.158 -5.713 1.00 0.00 C ATOM 0 H THR A 4 -14.299 -14.879 -6.480 1.00 0.00 H new ATOM 0 HA THR A 4 -16.879 -14.717 -5.035 1.00 0.00 H new ATOM 0 HB THR A 4 -16.251 -16.625 -3.903 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.473 -16.090 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.967 -18.158 -5.363 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.136 -17.202 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.410 -16.771 -6.329 1.00 0.00 H new ATOM 72 N PRO A 5 -15.897 -13.533 -2.929 1.00 0.00 N ATOM 73 CA PRO A 5 -15.416 -12.550 -1.911 1.00 0.00 C ATOM 74 C PRO A 5 -13.966 -12.799 -1.492 1.00 0.00 C ATOM 75 O PRO A 5 -13.206 -11.855 -1.280 1.00 0.00 O ATOM 76 CB PRO A 5 -16.365 -12.758 -0.718 1.00 0.00 C ATOM 77 CG PRO A 5 -17.612 -13.341 -1.298 1.00 0.00 C ATOM 78 CD PRO A 5 -17.188 -14.138 -2.535 1.00 0.00 C ATOM 0 HA PRO A 5 -15.426 -11.533 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.925 -13.428 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.571 -11.815 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.111 -13.985 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.318 -12.556 -1.567 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.078 -15.198 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.926 -14.058 -3.333 1.00 0.00 H new ATOM 86 N ASP A 6 -13.591 -14.072 -1.364 1.00 0.00 N ATOM 87 CA ASP A 6 -12.232 -14.429 -0.959 1.00 0.00 C ATOM 88 C ASP A 6 -11.716 -15.578 -1.809 1.00 0.00 C ATOM 89 O ASP A 6 -11.986 -16.744 -1.520 1.00 0.00 O ATOM 90 CB ASP A 6 -12.221 -14.844 0.513 1.00 0.00 C ATOM 91 CG ASP A 6 -10.798 -15.172 0.951 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.924 -15.174 0.101 1.00 0.00 O ATOM 93 OD2 ASP A 6 -10.604 -15.417 2.130 1.00 0.00 O ATOM 0 H ASP A 6 -14.205 -14.868 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.587 -13.562 -1.099 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.624 -14.040 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.865 -15.711 0.660 1.00 0.00 H new ATOM 98 N THR A 7 -10.973 -15.247 -2.863 1.00 0.00 N ATOM 99 CA THR A 7 -10.425 -16.270 -3.755 1.00 0.00 C ATOM 100 C THR A 7 -8.915 -16.081 -3.902 1.00 0.00 C ATOM 101 O THR A 7 -8.444 -14.984 -4.204 1.00 0.00 O ATOM 102 CB THR A 7 -11.108 -16.167 -5.135 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.377 -15.549 -4.986 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.317 -17.562 -5.732 1.00 0.00 C ATOM 0 H THR A 7 -10.737 -14.288 -3.120 1.00 0.00 H new ATOM 0 HA THR A 7 -10.614 -17.257 -3.332 1.00 0.00 H new ATOM 0 HB THR A 7 -10.471 -15.579 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.464 -14.820 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.800 -17.473 -6.705 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.352 -18.056 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.948 -18.152 -5.067 1.00 0.00 H new ATOM 112 N ALA A 8 -8.166 -17.158 -3.697 1.00 0.00 N ATOM 113 CA ALA A 8 -6.713 -17.101 -3.826 1.00 0.00 C ATOM 114 C ALA A 8 -6.323 -17.329 -5.277 1.00 0.00 C ATOM 115 O ALA A 8 -6.325 -18.464 -5.758 1.00 0.00 O ATOM 116 CB ALA A 8 -6.072 -18.180 -2.952 1.00 0.00 C ATOM 0 H ALA A 8 -8.535 -18.074 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.363 -16.121 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.988 -18.133 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.348 -18.016 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.423 -19.162 -3.270 1.00 0.00 H new ATOM 122 N TRP A 9 -6.004 -16.243 -5.978 1.00 0.00 N ATOM 123 CA TRP A 9 -5.629 -16.324 -7.392 1.00 0.00 C ATOM 124 C TRP A 9 -4.120 -16.210 -7.546 1.00 0.00 C ATOM 125 O TRP A 9 -3.457 -15.528 -6.766 1.00 0.00 O ATOM 126 CB TRP A 9 -6.315 -15.192 -8.180 1.00 0.00 C ATOM 127 CG TRP A 9 -7.737 -15.555 -8.478 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.475 -16.463 -7.799 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.602 -15.035 -9.526 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.732 -16.531 -8.360 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.861 -15.671 -9.426 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.420 -14.084 -10.541 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.901 -15.377 -10.298 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.467 -13.782 -11.425 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.707 -14.428 -11.304 1.00 0.00 C ATOM 0 H TRP A 9 -5.997 -15.298 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.953 -17.288 -7.785 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.281 -14.267 -7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.777 -15.009 -9.110 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.134 -17.042 -6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.476 -17.144 -8.026 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.469 -13.582 -10.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.852 -15.878 -10.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.318 -13.048 -12.203 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.509 -14.192 -11.987 1.00 0.00 H new ATOM 146 N LYS A 10 -3.583 -16.882 -8.561 1.00 0.00 N ATOM 147 CA LYS A 10 -2.146 -16.849 -8.821 1.00 0.00 C ATOM 148 C LYS A 10 -1.850 -15.874 -9.950 1.00 0.00 C ATOM 149 O LYS A 10 -2.466 -15.942 -11.009 1.00 0.00 O ATOM 150 CB LYS A 10 -1.649 -18.248 -9.204 1.00 0.00 C ATOM 151 CG LYS A 10 -0.157 -18.375 -8.880 1.00 0.00 C ATOM 152 CD LYS A 10 0.309 -19.803 -9.154 1.00 0.00 C ATOM 153 CE LYS A 10 1.781 -19.926 -8.770 1.00 0.00 C ATOM 154 NZ LYS A 10 2.254 -21.305 -9.063 1.00 0.00 N ATOM 0 H LYS A 10 -4.118 -17.454 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.630 -16.523 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.214 -19.006 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.816 -18.425 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.417 -17.673 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.022 -18.118 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.290 -20.511 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.173 -20.048 -10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.375 -19.200 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.912 -19.702 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.257 -21.391 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.694 -21.988 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.142 -21.502 -10.078 1.00 0.00 H new ATOM 168 N ILE A 11 -0.912 -14.967 -9.714 1.00 0.00 N ATOM 169 CA ILE A 11 -0.552 -13.974 -10.718 1.00 0.00 C ATOM 170 C ILE A 11 0.459 -14.557 -11.697 1.00 0.00 C ATOM 171 O ILE A 11 1.534 -15.006 -11.296 1.00 0.00 O ATOM 172 CB ILE A 11 0.060 -12.746 -10.035 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.832 -12.304 -8.878 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.152 -11.597 -11.042 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.120 -11.224 -8.060 1.00 0.00 C ATOM 0 H ILE A 11 -0.389 -14.898 -8.841 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.452 -13.684 -11.260 1.00 0.00 H new ATOM 0 HB ILE A 11 1.052 -13.003 -9.664 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.777 -11.919 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.069 -13.157 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.587 -10.723 -10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.780 -11.898 -11.881 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.846 -11.351 -11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.760 -10.911 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.813 -11.624 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.095 -10.367 -8.698 1.00 0.00 H new ATOM 187 N THR A 12 0.115 -14.549 -12.986 1.00 0.00 N ATOM 188 CA THR A 12 1.009 -15.079 -14.017 1.00 0.00 C ATOM 189 C THR A 12 1.595 -13.944 -14.851 1.00 0.00 C ATOM 190 O THR A 12 2.798 -13.907 -15.111 1.00 0.00 O ATOM 191 CB THR A 12 0.238 -16.036 -14.927 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.264 -17.118 -14.155 1.00 0.00 O ATOM 193 CG2 THR A 12 1.164 -16.570 -16.019 1.00 0.00 C ATOM 0 H THR A 12 -0.770 -14.184 -13.339 1.00 0.00 H new ATOM 0 HA THR A 12 1.824 -15.614 -13.529 1.00 0.00 H new ATOM 0 HB THR A 12 -0.592 -15.504 -15.392 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.760 -17.732 -14.736 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.610 -17.251 -16.665 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.545 -15.738 -16.611 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.998 -17.102 -15.561 1.00 0.00 H new ATOM 201 N GLY A 13 0.735 -13.017 -15.264 1.00 0.00 N ATOM 202 CA GLY A 13 1.175 -11.881 -16.066 1.00 0.00 C ATOM 203 C GLY A 13 -0.010 -11.167 -16.704 1.00 0.00 C ATOM 204 O GLY A 13 -1.161 -11.552 -16.508 1.00 0.00 O ATOM 0 H GLY A 13 -0.264 -13.030 -15.058 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.730 -11.183 -15.439 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.858 -12.224 -16.843 1.00 0.00 H new ATOM 208 N PHE A 14 0.285 -10.120 -17.468 1.00 0.00 N ATOM 209 CA PHE A 14 -0.757 -9.345 -18.141 1.00 0.00 C ATOM 210 C PHE A 14 -1.030 -9.914 -19.534 1.00 0.00 C ATOM 211 O PHE A 14 -0.200 -10.628 -20.097 1.00 0.00 O ATOM 212 CB PHE A 14 -0.328 -7.874 -18.251 1.00 0.00 C ATOM 213 CG PHE A 14 1.174 -7.794 -18.363 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.961 -7.804 -17.207 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.775 -7.707 -19.621 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.353 -7.724 -17.309 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.168 -7.626 -19.725 1.00 0.00 C ATOM 218 CZ PHE A 14 3.957 -7.633 -18.568 1.00 0.00 C ATOM 0 H PHE A 14 1.234 -9.787 -17.638 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.673 -9.408 -17.553 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.793 -7.413 -19.122 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.668 -7.319 -17.377 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.494 -7.873 -16.236 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.165 -7.702 -20.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.962 -7.732 -16.417 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.634 -7.558 -20.697 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.032 -7.568 -18.647 1.00 0.00 H new ATOM 228 N SER A 15 -2.198 -9.586 -20.080 1.00 0.00 N ATOM 229 CA SER A 15 -2.578 -10.062 -21.406 1.00 0.00 C ATOM 230 C SER A 15 -1.958 -9.187 -22.488 1.00 0.00 C ATOM 231 O SER A 15 -1.418 -8.122 -22.204 1.00 0.00 O ATOM 232 CB SER A 15 -4.100 -10.041 -21.552 1.00 0.00 C ATOM 233 OG SER A 15 -4.481 -10.910 -22.611 1.00 0.00 O ATOM 0 H SER A 15 -2.895 -8.995 -19.627 1.00 0.00 H new ATOM 0 HA SER A 15 -2.212 -11.082 -21.521 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.571 -10.355 -20.621 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.444 -9.027 -21.756 1.00 0.00 H new ATOM 0 HG SER A 15 -5.456 -10.901 -22.707 1.00 0.00 H new ATOM 239 N ARG A 16 -2.044 -9.642 -23.731 1.00 0.00 N ATOM 240 CA ARG A 16 -1.498 -8.882 -24.847 1.00 0.00 C ATOM 241 C ARG A 16 -2.324 -7.623 -25.092 1.00 0.00 C ATOM 242 O ARG A 16 -1.784 -6.563 -25.406 1.00 0.00 O ATOM 243 CB ARG A 16 -1.482 -9.743 -26.109 1.00 0.00 C ATOM 244 CG ARG A 16 -0.413 -10.827 -25.966 1.00 0.00 C ATOM 245 CD ARG A 16 -0.419 -11.712 -27.211 1.00 0.00 C ATOM 246 NE ARG A 16 -1.654 -12.483 -27.276 1.00 0.00 N ATOM 247 CZ ARG A 16 -1.905 -13.293 -28.299 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.039 -13.407 -29.268 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.017 -13.972 -28.333 1.00 0.00 N ATOM 0 H ARG A 16 -2.483 -10.526 -23.990 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.478 -8.589 -24.599 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.460 -10.198 -26.265 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.275 -9.125 -26.983 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.568 -10.371 -25.835 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.606 -11.429 -25.078 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.319 -11.096 -28.104 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.438 -12.385 -27.191 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.337 -12.399 -26.523 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.170 -12.874 -29.240 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.231 -14.029 -30.053 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.693 -13.881 -27.575 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.211 -14.594 -29.118 1.00 0.00 H new ATOM 263 N GLU A 17 -3.641 -7.750 -24.947 1.00 0.00 N ATOM 264 CA GLU A 17 -4.537 -6.621 -25.152 1.00 0.00 C ATOM 265 C GLU A 17 -4.450 -5.642 -23.991 1.00 0.00 C ATOM 266 O GLU A 17 -5.046 -4.565 -24.029 1.00 0.00 O ATOM 267 CB GLU A 17 -5.978 -7.119 -25.285 1.00 0.00 C ATOM 268 CG GLU A 17 -6.178 -7.758 -26.662 1.00 0.00 C ATOM 269 CD GLU A 17 -7.617 -8.245 -26.810 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.405 -7.988 -25.915 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.909 -8.864 -27.820 1.00 0.00 O ATOM 0 H GLU A 17 -4.107 -8.620 -24.690 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.236 -6.109 -26.066 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.196 -7.845 -24.501 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.673 -6.290 -25.154 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.948 -7.034 -27.444 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.489 -8.593 -26.788 1.00 0.00 H new ATOM 278 N ILE A 18 -3.712 -6.024 -22.958 1.00 0.00 N ATOM 279 CA ILE A 18 -3.564 -5.172 -21.784 1.00 0.00 C ATOM 280 C ILE A 18 -3.355 -3.724 -22.199 1.00 0.00 C ATOM 281 O ILE A 18 -2.757 -3.447 -23.237 1.00 0.00 O ATOM 282 CB ILE A 18 -2.375 -5.643 -20.943 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.317 -4.847 -19.628 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.077 -5.431 -21.732 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.564 -5.129 -18.773 1.00 0.00 C ATOM 0 H ILE A 18 -3.210 -6.910 -22.907 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.476 -5.239 -21.191 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.493 -6.702 -20.713 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.419 -5.116 -19.072 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.250 -3.781 -19.844 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.229 -5.766 -21.134 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.117 -6.004 -22.659 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.961 -4.372 -21.965 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.507 -4.558 -17.846 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.457 -4.836 -19.325 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.613 -6.193 -18.541 1.00 0.00 H new ATOM 297 N SER A 19 -3.857 -2.799 -21.389 1.00 0.00 N ATOM 298 CA SER A 19 -3.718 -1.383 -21.703 1.00 0.00 C ATOM 299 C SER A 19 -2.346 -0.858 -21.254 1.00 0.00 C ATOM 300 O SER A 19 -1.793 -1.341 -20.264 1.00 0.00 O ATOM 301 CB SER A 19 -4.821 -0.578 -21.014 1.00 0.00 C ATOM 302 OG SER A 19 -4.944 -1.002 -19.662 1.00 0.00 O ATOM 0 H SER A 19 -4.357 -3.000 -20.523 1.00 0.00 H new ATOM 0 HA SER A 19 -3.804 -1.266 -22.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.588 0.486 -21.053 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.767 -0.716 -21.537 1.00 0.00 H new ATOM 0 HG SER A 19 -5.650 -0.485 -19.220 1.00 0.00 H new ATOM 308 N PRO A 20 -1.789 0.124 -21.939 1.00 0.00 N ATOM 309 CA PRO A 20 -0.466 0.714 -21.560 1.00 0.00 C ATOM 310 C PRO A 20 -0.397 1.099 -20.079 1.00 0.00 C ATOM 311 O PRO A 20 0.637 0.934 -19.435 1.00 0.00 O ATOM 312 CB PRO A 20 -0.360 1.973 -22.441 1.00 0.00 C ATOM 313 CG PRO A 20 -1.224 1.701 -23.629 1.00 0.00 C ATOM 314 CD PRO A 20 -2.341 0.767 -23.153 1.00 0.00 C ATOM 0 HA PRO A 20 0.346 0.002 -21.710 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.699 2.858 -21.903 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.672 2.157 -22.740 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.637 2.627 -24.028 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.647 1.238 -24.430 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.254 1.320 -22.930 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.593 0.029 -23.914 1.00 0.00 H new ATOM 322 N ALA A 21 -1.495 1.629 -19.554 1.00 0.00 N ATOM 323 CA ALA A 21 -1.531 2.049 -18.159 1.00 0.00 C ATOM 324 C ALA A 21 -1.144 0.902 -17.228 1.00 0.00 C ATOM 325 O ALA A 21 -0.200 1.016 -16.442 1.00 0.00 O ATOM 326 CB ALA A 21 -2.940 2.536 -17.805 1.00 0.00 C ATOM 0 H ALA A 21 -2.364 1.777 -20.067 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.812 2.858 -18.028 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.965 2.850 -16.761 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.205 3.379 -18.444 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.654 1.727 -17.958 1.00 0.00 H new ATOM 332 N TYR A 22 -1.872 -0.203 -17.321 1.00 0.00 N ATOM 333 CA TYR A 22 -1.594 -1.356 -16.480 1.00 0.00 C ATOM 334 C TYR A 22 -0.210 -1.920 -16.784 1.00 0.00 C ATOM 335 O TYR A 22 0.593 -2.171 -15.880 1.00 0.00 O ATOM 336 CB TYR A 22 -2.656 -2.433 -16.716 1.00 0.00 C ATOM 337 CG TYR A 22 -2.433 -3.583 -15.767 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.433 -4.524 -16.033 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.223 -3.707 -14.616 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.223 -5.587 -15.150 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.011 -4.770 -13.734 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.011 -5.710 -13.999 1.00 0.00 C ATOM 343 OH TYR A 22 -1.801 -6.760 -13.129 1.00 0.00 O ATOM 0 H TYR A 22 -2.653 -0.324 -17.966 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.619 -1.042 -15.436 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.651 -2.014 -16.568 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.608 -2.785 -17.747 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.824 -4.429 -16.920 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.996 -2.981 -14.411 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.452 -6.315 -15.356 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.620 -4.865 -12.847 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.432 -6.697 -12.382 1.00 0.00 H new ATOM 353 N ARG A 23 0.064 -2.123 -18.066 1.00 0.00 N ATOM 354 CA ARG A 23 1.346 -2.673 -18.478 1.00 0.00 C ATOM 355 C ARG A 23 2.483 -1.802 -17.962 1.00 0.00 C ATOM 356 O ARG A 23 3.483 -2.303 -17.443 1.00 0.00 O ATOM 357 CB ARG A 23 1.407 -2.759 -20.002 1.00 0.00 C ATOM 358 CG ARG A 23 2.656 -3.535 -20.422 1.00 0.00 C ATOM 359 CD ARG A 23 2.761 -3.557 -21.950 1.00 0.00 C ATOM 360 NE ARG A 23 3.942 -4.306 -22.368 1.00 0.00 N ATOM 361 CZ ARG A 23 4.190 -4.542 -23.654 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.372 -4.098 -24.568 1.00 0.00 N ATOM 363 NH2 ARG A 23 5.252 -5.218 -24.002 1.00 0.00 N ATOM 0 H ARG A 23 -0.578 -1.917 -18.831 1.00 0.00 H new ATOM 0 HA ARG A 23 1.452 -3.673 -18.058 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.514 -3.253 -20.385 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.427 -1.758 -20.432 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.545 -3.072 -19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.610 -4.553 -20.036 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.866 -4.010 -22.376 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.815 -2.538 -22.332 1.00 0.00 H new ATOM 0 HE ARG A 23 4.589 -4.655 -21.661 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.542 -3.570 -24.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.562 -4.279 -25.554 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.892 -5.566 -23.288 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.441 -5.398 -24.988 1.00 0.00 H new ATOM 377 N GLN A 24 2.316 -0.492 -18.091 1.00 0.00 N ATOM 378 CA GLN A 24 3.327 0.442 -17.621 1.00 0.00 C ATOM 379 C GLN A 24 3.480 0.318 -16.113 1.00 0.00 C ATOM 380 O GLN A 24 4.573 0.490 -15.573 1.00 0.00 O ATOM 381 CB GLN A 24 2.928 1.874 -17.984 1.00 0.00 C ATOM 382 CG GLN A 24 4.005 2.847 -17.498 1.00 0.00 C ATOM 383 CD GLN A 24 3.697 4.257 -17.993 1.00 0.00 C ATOM 384 OE1 GLN A 24 2.562 4.721 -17.885 1.00 0.00 O ATOM 385 NE2 GLN A 24 4.648 4.970 -18.533 1.00 0.00 N ATOM 0 H GLN A 24 1.496 -0.056 -18.514 1.00 0.00 H new ATOM 0 HA GLN A 24 4.277 0.206 -18.100 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.802 1.965 -19.063 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.969 2.121 -17.529 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.051 2.837 -16.409 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.983 2.531 -17.861 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.588 4.583 -18.621 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.451 5.914 -18.866 1.00 0.00 H new ATOM 394 N LYS A 25 2.379 0.014 -15.434 1.00 0.00 N ATOM 395 CA LYS A 25 2.420 -0.135 -13.986 1.00 0.00 C ATOM 396 C LYS A 25 3.390 -1.242 -13.606 1.00 0.00 C ATOM 397 O LYS A 25 4.253 -1.058 -12.751 1.00 0.00 O ATOM 398 CB LYS A 25 1.026 -0.483 -13.457 1.00 0.00 C ATOM 399 CG LYS A 25 0.960 -0.223 -11.948 1.00 0.00 C ATOM 400 CD LYS A 25 -0.463 -0.481 -11.430 1.00 0.00 C ATOM 401 CE LYS A 25 -1.397 0.676 -11.810 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.663 0.559 -11.029 1.00 0.00 N ATOM 0 H LYS A 25 1.462 -0.132 -15.856 1.00 0.00 H new ATOM 0 HA LYS A 25 2.751 0.806 -13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.273 0.115 -13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.799 -1.529 -13.665 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.667 -0.869 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.252 0.805 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.843 -1.414 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.445 -0.600 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.915 1.632 -11.604 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.611 0.651 -12.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.301 1.341 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.123 -0.348 -11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.449 0.602 -10.012 1.00 0.00 H new ATOM 416 N LEU A 26 3.253 -2.390 -14.258 1.00 0.00 N ATOM 417 CA LEU A 26 4.140 -3.515 -13.975 1.00 0.00 C ATOM 418 C LEU A 26 5.576 -3.161 -14.343 1.00 0.00 C ATOM 419 O LEU A 26 6.516 -3.538 -13.645 1.00 0.00 O ATOM 420 CB LEU A 26 3.694 -4.766 -14.755 1.00 0.00 C ATOM 421 CG LEU A 26 2.591 -5.510 -13.989 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.135 -6.071 -12.654 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.431 -4.548 -13.728 1.00 0.00 C ATOM 0 H LEU A 26 2.549 -2.567 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 26 4.089 -3.731 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.329 -4.477 -15.741 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.546 -5.427 -14.912 1.00 0.00 H new ATOM 0 HG LEU A 26 2.242 -6.351 -14.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.337 -6.594 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.952 -6.764 -12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.500 -5.250 -12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.642 -5.068 -13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.784 -3.704 -13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.038 -4.185 -14.678 1.00 0.00 H new ATOM 435 N LEU A 27 5.739 -2.450 -15.446 1.00 0.00 N ATOM 436 CA LEU A 27 7.067 -2.070 -15.896 1.00 0.00 C ATOM 437 C LEU A 27 7.757 -1.214 -14.844 1.00 0.00 C ATOM 438 O LEU A 27 8.951 -1.369 -14.590 1.00 0.00 O ATOM 439 CB LEU A 27 6.967 -1.287 -17.207 1.00 0.00 C ATOM 440 CG LEU A 27 8.372 -1.003 -17.761 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.068 -2.317 -18.153 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.248 -0.093 -18.988 1.00 0.00 C ATOM 0 H LEU A 27 4.976 -2.127 -16.041 1.00 0.00 H new ATOM 0 HA LEU A 27 7.653 -2.975 -16.057 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.388 -1.855 -17.936 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.437 -0.349 -17.040 1.00 0.00 H new ATOM 0 HG LEU A 27 8.971 -0.511 -16.994 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.062 -2.100 -18.544 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.155 -2.958 -17.276 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.481 -2.826 -18.918 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.240 0.115 -19.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.646 -0.589 -19.749 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.770 0.843 -18.700 1.00 0.00 H new ATOM 454 N SER A 28 7.002 -0.301 -14.242 1.00 0.00 N ATOM 455 CA SER A 28 7.561 0.586 -13.225 1.00 0.00 C ATOM 456 C SER A 28 7.574 -0.091 -11.862 1.00 0.00 C ATOM 457 O SER A 28 8.193 0.406 -10.920 1.00 0.00 O ATOM 458 CB SER A 28 6.741 1.874 -13.150 1.00 0.00 C ATOM 459 OG SER A 28 6.931 2.618 -14.346 1.00 0.00 O ATOM 0 H SER A 28 6.011 -0.155 -14.437 1.00 0.00 H new ATOM 0 HA SER A 28 8.588 0.822 -13.505 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.685 1.640 -13.017 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.048 2.465 -12.287 1.00 0.00 H new ATOM 0 HG SER A 28 6.406 3.444 -14.304 1.00 0.00 H new ATOM 465 N LEU A 29 6.883 -1.224 -11.754 1.00 0.00 N ATOM 466 CA LEU A 29 6.822 -1.953 -10.493 1.00 0.00 C ATOM 467 C LEU A 29 7.848 -3.081 -10.485 1.00 0.00 C ATOM 468 O LEU A 29 7.842 -3.947 -11.360 1.00 0.00 O ATOM 469 CB LEU A 29 5.419 -2.542 -10.311 1.00 0.00 C ATOM 470 CG LEU A 29 5.199 -2.945 -8.844 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.818 -1.717 -8.006 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.070 -3.972 -8.769 1.00 0.00 C ATOM 0 H LEU A 29 6.362 -1.653 -12.519 1.00 0.00 H new ATOM 0 HA LEU A 29 7.043 -1.265 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.668 -1.811 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.295 -3.411 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 29 6.122 -3.372 -8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.665 -2.017 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.619 -0.980 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.899 -1.281 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.910 -4.261 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.155 -3.536 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.339 -4.852 -9.353 1.00 0.00 H new ATOM 484 N GLY A 30 8.724 -3.062 -9.491 1.00 0.00 N ATOM 485 CA GLY A 30 9.757 -4.084 -9.373 1.00 0.00 C ATOM 486 C GLY A 30 9.188 -5.374 -8.797 1.00 0.00 C ATOM 487 O GLY A 30 9.918 -6.338 -8.565 1.00 0.00 O ATOM 0 H GLY A 30 8.742 -2.354 -8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.192 -4.280 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.562 -3.720 -8.734 1.00 0.00 H new ATOM 491 N MET A 31 7.874 -5.392 -8.577 1.00 0.00 N ATOM 492 CA MET A 31 7.199 -6.572 -8.035 1.00 0.00 C ATOM 493 C MET A 31 6.361 -7.229 -9.119 1.00 0.00 C ATOM 494 O MET A 31 5.140 -7.099 -9.146 1.00 0.00 O ATOM 495 CB MET A 31 6.293 -6.164 -6.877 1.00 0.00 C ATOM 496 CG MET A 31 7.148 -5.692 -5.703 1.00 0.00 C ATOM 497 SD MET A 31 6.070 -5.148 -4.355 1.00 0.00 S ATOM 498 CE MET A 31 7.357 -4.401 -3.326 1.00 0.00 C ATOM 0 H MET A 31 7.255 -4.603 -8.765 1.00 0.00 H new ATOM 0 HA MET A 31 7.950 -7.276 -7.678 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.618 -5.368 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.672 -7.007 -6.573 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.795 -6.500 -5.362 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.797 -4.874 -6.017 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.908 -3.993 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.092 -5.159 -3.056 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.847 -3.601 -3.880 1.00 0.00 H new ATOM 508 N LEU A 32 7.027 -7.928 -10.021 1.00 0.00 N ATOM 509 CA LEU A 32 6.338 -8.586 -11.123 1.00 0.00 C ATOM 510 C LEU A 32 5.688 -9.883 -10.637 1.00 0.00 C ATOM 511 O LEU A 32 5.957 -10.334 -9.527 1.00 0.00 O ATOM 512 CB LEU A 32 7.369 -8.870 -12.253 1.00 0.00 C ATOM 513 CG LEU A 32 7.124 -7.941 -13.465 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.753 -6.577 -13.182 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.751 -8.547 -14.726 1.00 0.00 C ATOM 0 H LEU A 32 8.039 -8.056 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 32 5.548 -7.943 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.380 -8.722 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.295 -9.911 -12.566 1.00 0.00 H new ATOM 0 HG LEU A 32 6.052 -7.828 -13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.585 -5.915 -14.032 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.299 -6.145 -12.290 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.824 -6.697 -13.022 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.573 -7.886 -15.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.824 -8.666 -14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.302 -9.520 -14.924 1.00 0.00 H new ATOM 527 N PRO A 33 4.830 -10.471 -11.437 1.00 0.00 N ATOM 528 CA PRO A 33 4.128 -11.730 -11.070 1.00 0.00 C ATOM 529 C PRO A 33 5.052 -12.734 -10.392 1.00 0.00 C ATOM 530 O PRO A 33 6.251 -12.497 -10.243 1.00 0.00 O ATOM 531 CB PRO A 33 3.629 -12.275 -12.412 1.00 0.00 C ATOM 532 CG PRO A 33 3.457 -11.075 -13.287 1.00 0.00 C ATOM 533 CD PRO A 33 4.428 -9.999 -12.777 1.00 0.00 C ATOM 0 HA PRO A 33 3.329 -11.551 -10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.344 -12.976 -12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.688 -12.813 -12.293 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.669 -11.323 -14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.429 -10.715 -13.249 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.289 -9.896 -13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.947 -9.022 -12.726 1.00 0.00 H new ATOM 541 N GLY A 34 4.481 -13.866 -9.997 1.00 0.00 N ATOM 542 CA GLY A 34 5.244 -14.922 -9.337 1.00 0.00 C ATOM 543 C GLY A 34 4.691 -15.195 -7.942 1.00 0.00 C ATOM 544 O GLY A 34 5.306 -15.906 -7.146 1.00 0.00 O ATOM 0 H GLY A 34 3.491 -14.078 -10.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.205 -15.833 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.292 -14.631 -9.268 1.00 0.00 H new ATOM 548 N SER A 35 3.520 -14.629 -7.656 1.00 0.00 N ATOM 549 CA SER A 35 2.870 -14.814 -6.359 1.00 0.00 C ATOM 550 C SER A 35 1.357 -14.901 -6.531 1.00 0.00 C ATOM 551 O SER A 35 0.856 -15.014 -7.651 1.00 0.00 O ATOM 552 CB SER A 35 3.211 -13.653 -5.423 1.00 0.00 C ATOM 553 OG SER A 35 4.622 -13.521 -5.334 1.00 0.00 O ATOM 0 H SER A 35 3.001 -14.038 -8.305 1.00 0.00 H new ATOM 0 HA SER A 35 3.235 -15.744 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.771 -12.728 -5.796 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.788 -13.831 -4.434 1.00 0.00 H new ATOM 0 HG SER A 35 4.844 -12.777 -4.736 1.00 0.00 H new ATOM 559 N SER A 36 0.635 -14.853 -5.414 1.00 0.00 N ATOM 560 CA SER A 36 -0.826 -14.932 -5.437 1.00 0.00 C ATOM 561 C SER A 36 -1.432 -13.824 -4.587 1.00 0.00 C ATOM 562 O SER A 36 -0.779 -13.285 -3.693 1.00 0.00 O ATOM 563 CB SER A 36 -1.283 -16.290 -4.906 1.00 0.00 C ATOM 564 OG SER A 36 -0.879 -17.308 -5.813 1.00 0.00 O ATOM 0 H SER A 36 1.036 -14.760 -4.481 1.00 0.00 H new ATOM 0 HA SER A 36 -1.163 -14.813 -6.467 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.853 -16.472 -3.921 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.366 -16.301 -4.787 1.00 0.00 H new ATOM 0 HG SER A 36 -0.718 -18.140 -5.321 1.00 0.00 H new ATOM 570 N PHE A 37 -2.688 -13.487 -4.878 1.00 0.00 N ATOM 571 CA PHE A 37 -3.389 -12.439 -4.138 1.00 0.00 C ATOM 572 C PHE A 37 -4.787 -12.910 -3.755 1.00 0.00 C ATOM 573 O PHE A 37 -5.342 -13.818 -4.380 1.00 0.00 O ATOM 574 CB PHE A 37 -3.488 -11.171 -4.992 1.00 0.00 C ATOM 575 CG PHE A 37 -4.473 -11.382 -6.122 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.055 -11.961 -7.326 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.807 -10.996 -5.957 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.973 -12.155 -8.365 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.725 -11.189 -6.995 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.309 -11.768 -8.199 1.00 0.00 C ATOM 0 H PHE A 37 -3.239 -13.923 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.828 -12.218 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.805 -10.331 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.508 -10.917 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.024 -12.258 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.129 -10.549 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.651 -12.603 -9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.755 -10.891 -6.867 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.018 -11.916 -9.000 1.00 0.00 H new ATOM 590 N ASN A 38 -5.352 -12.286 -2.725 1.00 0.00 N ATOM 591 CA ASN A 38 -6.689 -12.639 -2.252 1.00 0.00 C ATOM 592 C ASN A 38 -7.664 -11.494 -2.507 1.00 0.00 C ATOM 593 O ASN A 38 -7.292 -10.312 -2.462 1.00 0.00 O ATOM 594 CB ASN A 38 -6.643 -12.953 -0.756 1.00 0.00 C ATOM 595 CG ASN A 38 -5.825 -14.217 -0.514 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.513 -14.989 -1.520 1.00 0.00 O flip ATOM 597 ND2 ASN A 38 -5.455 -14.508 0.625 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.905 -11.533 -2.201 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.031 -13.519 -2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.203 -12.116 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.655 -13.085 -0.372 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.699 -13.905 1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.905 -15.352 0.782 1.00 0.00 H new ATOM 604 N VAL A 39 -8.915 -11.852 -2.776 1.00 0.00 N ATOM 605 CA VAL A 39 -9.942 -10.854 -3.035 1.00 0.00 C ATOM 606 C VAL A 39 -10.544 -10.367 -1.723 1.00 0.00 C ATOM 607 O VAL A 39 -10.994 -11.164 -0.902 1.00 0.00 O ATOM 608 CB VAL A 39 -11.048 -11.457 -3.905 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.982 -10.347 -4.395 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.426 -12.182 -5.105 1.00 0.00 C ATOM 0 H VAL A 39 -9.239 -12.818 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.486 -10.012 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.621 -12.172 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.768 -10.780 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.430 -9.844 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.413 -9.626 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.217 -12.610 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.847 -11.474 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.772 -12.978 -4.750 1.00 0.00 H new ATOM 620 N VAL A 40 -10.554 -9.054 -1.537 1.00 0.00 N ATOM 621 CA VAL A 40 -11.112 -8.468 -0.326 1.00 0.00 C ATOM 622 C VAL A 40 -12.627 -8.659 -0.278 1.00 0.00 C ATOM 623 O VAL A 40 -13.194 -8.928 0.783 1.00 0.00 O ATOM 624 CB VAL A 40 -10.749 -6.975 -0.258 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.986 -6.312 -1.621 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.605 -6.277 0.812 1.00 0.00 C ATOM 0 H VAL A 40 -10.184 -8.378 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.686 -8.976 0.539 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.696 -6.881 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.726 -5.255 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.365 -6.797 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.036 -6.412 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.343 -5.220 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.660 -6.379 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.420 -6.737 1.783 1.00 0.00 H new ATOM 636 N ARG A 41 -13.273 -8.501 -1.424 1.00 0.00 N ATOM 637 CA ARG A 41 -14.719 -8.637 -1.503 1.00 0.00 C ATOM 638 C ARG A 41 -15.174 -8.553 -2.950 1.00 0.00 C ATOM 639 O ARG A 41 -14.480 -7.984 -3.795 1.00 0.00 O ATOM 640 CB ARG A 41 -15.383 -7.517 -0.694 1.00 0.00 C ATOM 641 CG ARG A 41 -15.079 -6.159 -1.338 1.00 0.00 C ATOM 642 CD ARG A 41 -15.594 -5.040 -0.430 1.00 0.00 C ATOM 643 NE ARG A 41 -15.343 -3.738 -1.038 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.406 -2.621 -0.320 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.701 -2.676 0.949 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.174 -1.469 -0.887 1.00 0.00 N ATOM 0 H ARG A 41 -12.819 -8.279 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.007 -9.606 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.460 -7.676 -0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.018 -7.532 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.006 -6.050 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.552 -6.094 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.662 -5.167 -0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.103 -5.096 0.542 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.115 -3.684 -2.031 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.884 -3.577 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.749 -1.818 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.945 -1.426 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.222 -0.611 -0.337 1.00 0.00 H new ATOM 660 N VAL A 42 -16.348 -9.106 -3.234 1.00 0.00 N ATOM 661 CA VAL A 42 -16.899 -9.067 -4.589 1.00 0.00 C ATOM 662 C VAL A 42 -18.351 -8.612 -4.540 1.00 0.00 C ATOM 663 O VAL A 42 -19.231 -9.368 -4.136 1.00 0.00 O ATOM 664 CB VAL A 42 -16.810 -10.456 -5.221 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.520 -10.454 -6.577 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.338 -10.819 -5.412 1.00 0.00 C ATOM 0 H VAL A 42 -16.935 -9.584 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.325 -8.363 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.290 -11.188 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.454 -11.446 -7.024 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.568 -10.187 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.045 -9.727 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.263 -11.809 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.864 -10.086 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.835 -10.822 -4.445 1.00 0.00 H new ATOM 676 N ALA A 43 -18.602 -7.370 -4.952 1.00 0.00 N ATOM 677 CA ALA A 43 -19.963 -6.837 -4.944 1.00 0.00 C ATOM 678 C ALA A 43 -20.633 -7.044 -6.318 1.00 0.00 C ATOM 679 O ALA A 43 -20.227 -6.418 -7.299 1.00 0.00 O ATOM 680 CB ALA A 43 -19.932 -5.345 -4.603 1.00 0.00 C ATOM 0 H ALA A 43 -17.891 -6.722 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.542 -7.370 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.949 -4.952 -4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.484 -5.206 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.341 -4.814 -5.349 1.00 0.00 H new ATOM 686 N PRO A 44 -21.636 -7.901 -6.423 1.00 0.00 N ATOM 687 CA PRO A 44 -22.347 -8.169 -7.714 1.00 0.00 C ATOM 688 C PRO A 44 -23.307 -7.039 -8.093 1.00 0.00 C ATOM 689 O PRO A 44 -23.869 -7.029 -9.189 1.00 0.00 O ATOM 690 CB PRO A 44 -23.090 -9.489 -7.465 1.00 0.00 C ATOM 691 CG PRO A 44 -23.340 -9.524 -5.992 1.00 0.00 C ATOM 692 CD PRO A 44 -22.217 -8.709 -5.327 1.00 0.00 C ATOM 0 HA PRO A 44 -21.657 -8.231 -8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.025 -9.527 -8.024 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.493 -10.343 -7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.316 -9.100 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.341 -10.550 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.607 -8.074 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.469 -9.361 -4.877 1.00 0.00 H new ATOM 700 N LEU A 45 -23.512 -6.113 -7.167 1.00 0.00 N ATOM 701 CA LEU A 45 -24.437 -5.009 -7.398 1.00 0.00 C ATOM 702 C LEU A 45 -24.137 -4.322 -8.727 1.00 0.00 C ATOM 703 O LEU A 45 -25.041 -3.790 -9.372 1.00 0.00 O ATOM 704 CB LEU A 45 -24.318 -3.990 -6.260 1.00 0.00 C ATOM 705 CG LEU A 45 -24.454 -4.700 -4.908 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.316 -3.672 -3.780 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.821 -5.394 -4.814 1.00 0.00 C ATOM 0 H LEU A 45 -23.055 -6.102 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.450 -5.409 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.357 -3.479 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.091 -3.228 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.670 -5.452 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.412 -4.173 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.340 -3.192 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.098 -2.919 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.909 -5.896 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.613 -4.652 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.912 -6.128 -5.615 1.00 0.00 H new ATOM 719 N GLY A 46 -22.873 -4.345 -9.143 1.00 0.00 N ATOM 720 CA GLY A 46 -22.477 -3.727 -10.413 1.00 0.00 C ATOM 721 C GLY A 46 -21.244 -2.856 -10.226 1.00 0.00 C ATOM 722 O GLY A 46 -20.968 -1.970 -11.032 1.00 0.00 O ATOM 0 H GLY A 46 -22.109 -4.780 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -22.272 -4.502 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.298 -3.125 -10.802 1.00 0.00 H new ATOM 726 N ASP A 47 -20.507 -3.114 -9.151 1.00 0.00 N ATOM 727 CA ASP A 47 -19.299 -2.349 -8.844 1.00 0.00 C ATOM 728 C ASP A 47 -18.059 -3.105 -9.339 1.00 0.00 C ATOM 729 O ASP A 47 -18.108 -4.312 -9.571 1.00 0.00 O ATOM 730 CB ASP A 47 -19.204 -2.093 -7.313 1.00 0.00 C ATOM 731 CG ASP A 47 -20.263 -2.898 -6.565 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.478 -4.040 -6.933 1.00 0.00 O ATOM 733 OD2 ASP A 47 -20.843 -2.360 -5.636 1.00 0.00 O ATOM 0 H ASP A 47 -20.723 -3.847 -8.476 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.348 -1.387 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.212 -2.366 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -19.336 -1.031 -7.108 1.00 0.00 H new ATOM 738 N PRO A 48 -16.957 -2.413 -9.494 1.00 0.00 N ATOM 739 CA PRO A 48 -15.680 -3.024 -9.962 1.00 0.00 C ATOM 740 C PRO A 48 -15.201 -4.121 -9.017 1.00 0.00 C ATOM 741 O PRO A 48 -15.803 -4.357 -7.968 1.00 0.00 O ATOM 742 CB PRO A 48 -14.692 -1.840 -9.996 1.00 0.00 C ATOM 743 CG PRO A 48 -15.302 -0.797 -9.115 1.00 0.00 C ATOM 744 CD PRO A 48 -16.809 -0.970 -9.251 1.00 0.00 C ATOM 0 HA PRO A 48 -15.784 -3.511 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.708 -2.137 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.557 -1.468 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.985 -0.925 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.994 0.203 -9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.334 -0.657 -8.349 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.210 -0.379 -10.074 1.00 0.00 H new ATOM 752 N ILE A 49 -14.118 -4.795 -9.399 1.00 0.00 N ATOM 753 CA ILE A 49 -13.570 -5.874 -8.582 1.00 0.00 C ATOM 754 C ILE A 49 -12.466 -5.341 -7.680 1.00 0.00 C ATOM 755 O ILE A 49 -11.421 -4.893 -8.156 1.00 0.00 O ATOM 756 CB ILE A 49 -12.998 -6.972 -9.489 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.954 -7.194 -10.666 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.815 -8.280 -8.698 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.359 -7.531 -10.156 1.00 0.00 C ATOM 0 H ILE A 49 -13.606 -4.614 -10.263 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.369 -6.287 -7.966 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.022 -6.662 -9.863 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.991 -6.299 -11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.585 -8.004 -11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.409 -9.049 -9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.128 -8.111 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.779 -8.608 -8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -16.026 -7.686 -11.004 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.320 -8.439 -9.555 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.732 -6.708 -9.546 1.00 0.00 H new ATOM 771 N HIS A 50 -12.708 -5.405 -6.375 1.00 0.00 N ATOM 772 CA HIS A 50 -11.734 -4.938 -5.393 1.00 0.00 C ATOM 773 C HIS A 50 -10.904 -6.105 -4.886 1.00 0.00 C ATOM 774 O HIS A 50 -11.441 -7.081 -4.360 1.00 0.00 O ATOM 775 CB HIS A 50 -12.452 -4.283 -4.211 1.00 0.00 C ATOM 776 CG HIS A 50 -13.057 -2.979 -4.649 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.016 -1.845 -3.854 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.714 -2.609 -5.796 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.630 -0.856 -4.526 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.077 -1.268 -5.713 1.00 0.00 N ATOM 0 H HIS A 50 -13.569 -5.775 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.082 -4.208 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.229 -4.947 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.750 -4.114 -3.394 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.596 -1.774 -2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.918 -3.259 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.747 0.150 -4.150 1.00 0.00 H new ATOM 788 N ILE A 51 -9.589 -5.996 -5.045 1.00 0.00 N ATOM 789 CA ILE A 51 -8.671 -7.043 -4.597 1.00 0.00 C ATOM 790 C ILE A 51 -7.571 -6.447 -3.727 1.00 0.00 C ATOM 791 O ILE A 51 -7.146 -5.309 -3.943 1.00 0.00 O ATOM 792 CB ILE A 51 -8.052 -7.750 -5.810 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.364 -6.720 -6.718 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.151 -8.465 -6.599 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.542 -7.443 -7.788 1.00 0.00 C ATOM 0 H ILE A 51 -9.133 -5.194 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.230 -7.769 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.316 -8.476 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.110 -6.081 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.718 -6.072 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.712 -8.967 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.638 -9.201 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.887 -7.737 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.055 -6.709 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.785 -8.064 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.199 -8.072 -8.389 1.00 0.00 H new ATOM 807 N GLU A 52 -7.105 -7.225 -2.748 1.00 0.00 N ATOM 808 CA GLU A 52 -6.042 -6.769 -1.849 1.00 0.00 C ATOM 809 C GLU A 52 -4.868 -7.731 -1.902 1.00 0.00 C ATOM 810 O GLU A 52 -5.014 -8.920 -1.611 1.00 0.00 O ATOM 811 CB GLU A 52 -6.578 -6.676 -0.415 1.00 0.00 C ATOM 812 CG GLU A 52 -7.480 -5.446 -0.280 1.00 0.00 C ATOM 813 CD GLU A 52 -6.640 -4.178 -0.377 1.00 0.00 C ATOM 814 OE1 GLU A 52 -5.426 -4.297 -0.357 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.222 -3.109 -0.469 1.00 0.00 O ATOM 0 H GLU A 52 -7.444 -8.168 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.705 -5.783 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.137 -7.578 -0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.749 -6.610 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.238 -5.452 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.007 -5.473 0.674 1.00 0.00 H new ATOM 822 N THR A 53 -3.696 -7.214 -2.276 1.00 0.00 N ATOM 823 CA THR A 53 -2.499 -8.043 -2.364 1.00 0.00 C ATOM 824 C THR A 53 -1.546 -7.686 -1.233 1.00 0.00 C ATOM 825 O THR A 53 -1.317 -6.507 -0.948 1.00 0.00 O ATOM 826 CB THR A 53 -1.810 -7.807 -3.714 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.913 -6.712 -3.593 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.861 -7.482 -4.788 1.00 0.00 C ATOM 0 H THR A 53 -3.553 -6.234 -2.520 1.00 0.00 H new ATOM 0 HA THR A 53 -2.779 -9.093 -2.280 1.00 0.00 H new ATOM 0 HB THR A 53 -1.266 -8.706 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.408 -5.872 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.365 -7.316 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.557 -8.316 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.408 -6.584 -4.502 1.00 0.00 H new ATOM 836 N ARG A 54 -0.987 -8.713 -0.598 1.00 0.00 N ATOM 837 CA ARG A 54 -0.059 -8.506 0.509 1.00 0.00 C ATOM 838 C ARG A 54 0.918 -7.383 0.187 1.00 0.00 C ATOM 839 O ARG A 54 1.540 -6.812 1.083 1.00 0.00 O ATOM 840 CB ARG A 54 0.707 -9.801 0.791 1.00 0.00 C ATOM 841 CG ARG A 54 1.156 -10.426 -0.530 1.00 0.00 C ATOM 842 CD ARG A 54 2.045 -11.638 -0.249 1.00 0.00 C ATOM 843 NE ARG A 54 1.269 -12.693 0.397 1.00 0.00 N ATOM 844 CZ ARG A 54 0.581 -13.581 -0.317 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.588 -13.518 -1.621 1.00 0.00 N ATOM 846 NH2 ARG A 54 -0.103 -14.514 0.287 1.00 0.00 N ATOM 0 H ARG A 54 -1.159 -9.691 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.629 -8.224 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.573 -9.594 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.074 -10.499 1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.287 -10.728 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.701 -9.693 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.472 -12.009 -1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.879 -11.346 0.390 1.00 0.00 H new ATOM 0 HE ARG A 54 1.254 -12.751 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.121 -12.788 -2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.060 -14.199 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.110 -14.562 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.630 -15.195 -0.260 1.00 0.00 H new ATOM 860 N ARG A 55 1.044 -7.066 -1.097 1.00 0.00 N ATOM 861 CA ARG A 55 1.943 -6.002 -1.524 1.00 0.00 C ATOM 862 C ARG A 55 1.241 -4.649 -1.492 1.00 0.00 C ATOM 863 O ARG A 55 1.747 -3.698 -0.901 1.00 0.00 O ATOM 864 CB ARG A 55 2.421 -6.281 -2.949 1.00 0.00 C ATOM 865 CG ARG A 55 3.395 -7.457 -2.937 1.00 0.00 C ATOM 866 CD ARG A 55 3.746 -7.846 -4.373 1.00 0.00 C ATOM 867 NE ARG A 55 2.580 -8.428 -5.029 1.00 0.00 N ATOM 868 CZ ARG A 55 2.641 -8.868 -6.282 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.762 -8.794 -6.944 1.00 0.00 N ATOM 870 NH2 ARG A 55 1.582 -9.379 -6.847 1.00 0.00 N ATOM 0 H ARG A 55 0.539 -7.527 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 55 2.790 -5.974 -0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.570 -6.506 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.907 -5.397 -3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.299 -7.188 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.950 -8.306 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.084 -6.969 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.569 -8.560 -4.375 1.00 0.00 H new ATOM 0 HE ARG A 55 1.701 -8.499 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.591 -8.399 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.810 -9.131 -7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.706 -9.441 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.629 -9.716 -7.808 1.00 0.00 H new ATOM 884 N VAL A 56 0.071 -4.579 -2.123 1.00 0.00 N ATOM 885 CA VAL A 56 -0.694 -3.335 -2.172 1.00 0.00 C ATOM 886 C VAL A 56 -2.147 -3.611 -2.550 1.00 0.00 C ATOM 887 O VAL A 56 -2.523 -4.752 -2.819 1.00 0.00 O ATOM 888 CB VAL A 56 -0.085 -2.379 -3.209 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.255 -1.824 -2.709 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.141 -3.130 -4.524 1.00 0.00 C ATOM 0 H VAL A 56 -0.366 -5.364 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.659 -2.879 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.775 -1.550 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.671 -1.149 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.099 -1.281 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.949 -2.647 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.573 -2.452 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.822 -3.964 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.811 -3.509 -4.895 1.00 0.00 H new ATOM 900 N SER A 57 -2.956 -2.552 -2.577 1.00 0.00 N ATOM 901 CA SER A 57 -4.370 -2.680 -2.934 1.00 0.00 C ATOM 902 C SER A 57 -4.580 -2.326 -4.402 1.00 0.00 C ATOM 903 O SER A 57 -3.939 -1.414 -4.929 1.00 0.00 O ATOM 904 CB SER A 57 -5.214 -1.746 -2.067 1.00 0.00 C ATOM 905 OG SER A 57 -4.706 -0.422 -2.167 1.00 0.00 O ATOM 0 H SER A 57 -2.660 -1.601 -2.357 1.00 0.00 H new ATOM 0 HA SER A 57 -4.676 -3.712 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.255 -1.773 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.194 -2.078 -1.029 1.00 0.00 H new ATOM 0 HG SER A 57 -5.247 0.179 -1.613 1.00 0.00 H new ATOM 911 N LEU A 58 -5.487 -3.043 -5.058 1.00 0.00 N ATOM 912 CA LEU A 58 -5.784 -2.791 -6.467 1.00 0.00 C ATOM 913 C LEU A 58 -7.249 -3.087 -6.758 1.00 0.00 C ATOM 914 O LEU A 58 -7.826 -4.017 -6.198 1.00 0.00 O ATOM 915 CB LEU A 58 -4.892 -3.662 -7.361 1.00 0.00 C ATOM 916 CG LEU A 58 -5.169 -3.369 -8.847 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.857 -1.897 -9.175 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.297 -4.289 -9.711 1.00 0.00 C ATOM 0 H LEU A 58 -6.028 -3.800 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.585 -1.741 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.843 -3.470 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.075 -4.716 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.223 -3.553 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.059 -1.709 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.484 -1.247 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.807 -1.692 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.488 -4.087 -10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.245 -4.105 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.537 -5.329 -9.492 1.00 0.00 H new ATOM 930 N VAL A 59 -7.843 -2.294 -7.646 1.00 0.00 N ATOM 931 CA VAL A 59 -9.245 -2.485 -8.026 1.00 0.00 C ATOM 932 C VAL A 59 -9.397 -2.338 -9.534 1.00 0.00 C ATOM 933 O VAL A 59 -9.019 -1.315 -10.105 1.00 0.00 O ATOM 934 CB VAL A 59 -10.134 -1.459 -7.315 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.615 -0.043 -7.577 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.571 -1.579 -7.830 1.00 0.00 C ATOM 0 H VAL A 59 -7.380 -1.516 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.555 -3.487 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.113 -1.655 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.254 0.679 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.596 0.046 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.626 0.156 -8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.201 -0.848 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.590 -1.391 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.946 -2.583 -7.631 1.00 0.00 H new ATOM 946 N LEU A 60 -9.951 -3.364 -10.176 1.00 0.00 N ATOM 947 CA LEU A 60 -10.150 -3.341 -11.627 1.00 0.00 C ATOM 948 C LEU A 60 -11.509 -3.932 -11.991 1.00 0.00 C ATOM 949 O LEU A 60 -12.261 -4.367 -11.118 1.00 0.00 O ATOM 950 CB LEU A 60 -9.034 -4.131 -12.320 1.00 0.00 C ATOM 951 CG LEU A 60 -7.681 -3.437 -12.111 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.565 -4.349 -12.627 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.641 -2.092 -12.867 1.00 0.00 C ATOM 0 H LEU A 60 -10.269 -4.219 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.120 -2.305 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.996 -5.145 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.246 -4.215 -13.386 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.541 -3.242 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.601 -3.862 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.582 -5.291 -12.079 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.716 -4.544 -13.689 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.675 -1.614 -12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.787 -2.269 -13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.433 -1.442 -12.495 1.00 0.00 H new ATOM 965 N ARG A 61 -11.818 -3.944 -13.287 1.00 0.00 N ATOM 966 CA ARG A 61 -13.089 -4.481 -13.766 1.00 0.00 C ATOM 967 C ARG A 61 -12.978 -5.975 -14.034 1.00 0.00 C ATOM 968 O ARG A 61 -11.878 -6.508 -14.170 1.00 0.00 O ATOM 969 CB ARG A 61 -13.519 -3.761 -15.037 1.00 0.00 C ATOM 970 CG ARG A 61 -14.037 -2.379 -14.662 1.00 0.00 C ATOM 971 CD ARG A 61 -14.360 -1.610 -15.925 1.00 0.00 C ATOM 972 NE ARG A 61 -15.430 -2.269 -16.667 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.792 -1.849 -17.877 1.00 0.00 C ATOM 974 NH1 ARG A 61 -15.196 -0.822 -18.419 1.00 0.00 N ATOM 975 NH2 ARG A 61 -16.746 -2.463 -18.524 1.00 0.00 N ATOM 0 H ARG A 61 -11.206 -3.589 -14.022 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.839 -4.321 -12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.679 -3.676 -15.726 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.295 -4.329 -15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.926 -2.468 -14.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.289 -1.844 -14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.659 -0.593 -15.672 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.470 -1.535 -16.549 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.910 -3.067 -16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.452 -0.340 -17.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.475 -0.502 -19.346 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.214 -3.265 -18.102 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.023 -2.141 -19.451 1.00 0.00 H new ATOM 989 N LYS A 62 -14.122 -6.645 -14.110 1.00 0.00 N ATOM 990 CA LYS A 62 -14.136 -8.078 -14.363 1.00 0.00 C ATOM 991 C LYS A 62 -13.444 -8.394 -15.686 1.00 0.00 C ATOM 992 O LYS A 62 -12.819 -9.445 -15.837 1.00 0.00 O ATOM 993 CB LYS A 62 -15.579 -8.584 -14.403 1.00 0.00 C ATOM 994 CG LYS A 62 -16.405 -7.700 -15.341 1.00 0.00 C ATOM 995 CD LYS A 62 -17.809 -8.292 -15.515 1.00 0.00 C ATOM 996 CE LYS A 62 -18.627 -8.110 -14.231 1.00 0.00 C ATOM 997 NZ LYS A 62 -20.068 -8.351 -14.528 1.00 0.00 N ATOM 0 H LYS A 62 -15.044 -6.222 -14.001 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.598 -8.578 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.603 -9.618 -14.746 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.008 -8.570 -13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.474 -6.690 -14.936 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.911 -7.622 -16.310 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.315 -7.805 -16.349 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.736 -9.351 -15.761 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.281 -8.803 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.488 -7.103 -13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.627 -8.229 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.392 -7.673 -15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -20.191 -9.320 -14.885 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.557 -7.477 -16.640 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.937 -7.668 -17.945 1.00 0.00 C ATOM 1013 C LYS A 63 -11.419 -7.748 -17.809 1.00 0.00 C ATOM 1014 O LYS A 63 -10.769 -8.583 -18.442 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.312 -6.507 -18.873 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.793 -6.591 -19.232 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.155 -5.417 -20.141 1.00 0.00 C ATOM 1018 CE LYS A 63 -16.615 -5.542 -20.561 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.985 -4.398 -21.441 1.00 0.00 N ATOM 0 H LYS A 63 -14.068 -6.600 -16.536 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.300 -8.604 -18.369 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.100 -5.556 -18.385 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.706 -6.543 -19.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.005 -7.535 -19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.401 -6.568 -18.328 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.993 -4.474 -19.619 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.510 -5.409 -21.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.773 -6.484 -21.087 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.257 -5.558 -19.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.981 -4.487 -21.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.851 -3.505 -20.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.382 -4.402 -22.288 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.861 -6.878 -16.975 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.420 -6.861 -16.766 1.00 0.00 C ATOM 1035 C ASP A 64 -8.946 -8.197 -16.202 1.00 0.00 C ATOM 1036 O ASP A 64 -7.946 -8.750 -16.657 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.058 -5.742 -15.793 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.224 -4.385 -16.470 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.320 -4.358 -17.686 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.253 -3.392 -15.763 1.00 0.00 O ATOM 0 H ASP A 64 -11.379 -6.182 -16.438 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.930 -6.690 -17.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.695 -5.797 -14.910 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.030 -5.864 -15.453 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.677 -8.715 -15.220 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.326 -9.992 -14.607 1.00 0.00 C ATOM 1047 C LEU A 65 -9.402 -11.112 -15.641 1.00 0.00 C ATOM 1048 O LEU A 65 -8.543 -11.992 -15.680 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.283 -10.286 -13.438 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.762 -9.641 -12.148 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.475 -8.156 -12.388 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.811 -9.779 -11.060 1.00 0.00 C ATOM 0 H LEU A 65 -10.511 -8.274 -14.833 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.305 -9.936 -14.229 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.277 -9.903 -13.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.380 -11.363 -13.301 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.843 -10.140 -11.842 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.105 -7.704 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.724 -8.053 -13.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.392 -7.653 -12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.444 -9.322 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.728 -9.280 -11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.015 -10.835 -10.883 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.432 -11.075 -16.472 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.595 -12.098 -17.493 1.00 0.00 C ATOM 1066 C ALA A 66 -9.362 -12.157 -18.383 1.00 0.00 C ATOM 1067 O ALA A 66 -8.787 -13.226 -18.594 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.826 -11.790 -18.345 1.00 0.00 C ATOM 0 H ALA A 66 -11.158 -10.359 -16.461 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.725 -13.063 -17.003 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.942 -12.560 -19.108 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.712 -11.771 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.703 -10.819 -18.825 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.952 -11.003 -18.903 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.777 -10.952 -19.765 1.00 0.00 C ATOM 1076 C LEU A 67 -6.508 -11.257 -18.973 1.00 0.00 C ATOM 1077 O LEU A 67 -5.640 -11.997 -19.431 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.663 -9.560 -20.417 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.476 -9.507 -21.715 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.962 -9.696 -21.405 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.259 -8.151 -22.387 1.00 0.00 C ATOM 0 H LEU A 67 -9.408 -10.104 -18.746 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.889 -11.708 -20.542 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.021 -8.798 -19.725 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.617 -9.335 -20.626 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.149 -10.304 -22.382 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.535 -9.657 -22.332 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.113 -10.663 -20.925 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.298 -8.903 -20.737 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.835 -8.107 -23.311 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.587 -7.356 -21.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.200 -8.022 -22.612 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.404 -10.676 -17.785 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.224 -10.883 -16.958 1.00 0.00 C ATOM 1095 C LEU A 68 -4.959 -12.369 -16.777 1.00 0.00 C ATOM 1096 O LEU A 68 -5.868 -13.143 -16.474 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.423 -10.217 -15.591 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.071 -10.062 -14.867 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.375 -8.764 -15.310 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.301 -10.017 -13.350 1.00 0.00 C ATOM 0 H LEU A 68 -7.112 -10.066 -17.377 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.364 -10.433 -17.454 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.888 -9.240 -15.720 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.102 -10.815 -14.983 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.439 -10.913 -15.121 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.421 -8.667 -14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.201 -8.793 -16.386 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.008 -7.911 -15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.344 -9.907 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.942 -9.171 -13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.780 -10.941 -13.027 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.705 -12.765 -16.972 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.342 -14.170 -16.834 1.00 0.00 C ATOM 1114 C GLU A 69 -3.278 -14.561 -15.363 1.00 0.00 C ATOM 1115 O GLU A 69 -2.360 -14.162 -14.640 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.985 -14.428 -17.491 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.058 -14.059 -18.972 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.995 -15.014 -19.702 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.249 -16.084 -19.172 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.447 -14.662 -20.779 1.00 0.00 O ATOM 0 H GLU A 69 -2.935 -12.144 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.104 -14.773 -17.328 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.212 -13.840 -16.996 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.708 -15.476 -17.380 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.412 -13.034 -19.083 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.063 -14.103 -19.416 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.260 -15.347 -14.923 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.315 -15.799 -13.532 1.00 0.00 C ATOM 1129 C VAL A 70 -4.622 -17.289 -13.461 1.00 0.00 C ATOM 1130 O VAL A 70 -5.134 -17.873 -14.418 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.388 -15.025 -12.763 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.962 -13.564 -12.618 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.711 -15.095 -13.530 1.00 0.00 C ATOM 0 H VAL A 70 -5.026 -15.683 -15.507 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.340 -15.615 -13.080 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.514 -15.465 -11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.727 -13.014 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.019 -13.512 -12.074 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.836 -13.122 -13.606 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.477 -14.544 -12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.582 -14.654 -14.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.017 -16.136 -13.634 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.307 -17.903 -12.320 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.559 -19.334 -12.134 1.00 0.00 C ATOM 1145 C GLU A 71 -4.946 -19.627 -10.689 1.00 0.00 C ATOM 1146 O GLU A 71 -4.336 -19.106 -9.756 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.304 -20.139 -12.497 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.679 -21.606 -12.727 1.00 0.00 C ATOM 1149 CD GLU A 71 -4.474 -21.744 -14.022 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -4.570 -20.765 -14.744 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.973 -22.829 -14.274 1.00 0.00 O ATOM 0 H GLU A 71 -3.881 -17.439 -11.518 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.382 -19.625 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.843 -19.727 -13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.568 -20.063 -11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.778 -22.217 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.268 -21.975 -11.888 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.955 -20.471 -10.513 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.402 -20.832 -9.175 1.00 0.00 C ATOM 1160 C ALA A 72 -5.432 -21.827 -8.548 1.00 0.00 C ATOM 1161 O ALA A 72 -5.085 -22.839 -9.158 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.801 -21.449 -9.242 1.00 0.00 C ATOM 0 H ALA A 72 -6.474 -20.914 -11.271 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.434 -19.932 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.129 -21.717 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.497 -20.728 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.775 -22.343 -9.865 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.994 -21.534 -7.327 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.059 -22.412 -6.632 1.00 0.00 C ATOM 1170 C VAL A 73 -4.813 -23.541 -5.935 1.00 0.00 C ATOM 1171 O VAL A 73 -5.780 -23.299 -5.212 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.266 -21.614 -5.595 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.104 -22.461 -5.068 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.709 -20.351 -6.248 1.00 0.00 C ATOM 0 H VAL A 73 -5.268 -20.703 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.373 -22.839 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.923 -21.345 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.542 -21.889 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.495 -23.367 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.447 -22.731 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.143 -19.780 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.054 -20.627 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.532 -19.743 -6.625 1.00 0.00 H new