USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 751 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 19 HIS : no HE2:sc= -2.62! C(o=-2.8!,f=-13!) USER MOD Set 1.2: A 82 TYR OH : rot 15:sc= -0.153 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.055 K(o=-0.055,f=-1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 42 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.2) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 65 CYS SG : rot 100:sc= -2.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.8!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -167:sc= -3.01! (180deg=-4.63!) USER MOD Single : A 72 TYR OH : rot -1:sc= 0.275 USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0492) USER MOD Single : A 76 GLN :FLIP amide:sc= 0.417 F(o=-0.54,f=0.42) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0745 K(o=-0.074,f=-0.83) USER MOD Single : A 88 GLN : amide:sc= -0.0013 X(o=-0.0013,f=-0.0013) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= -0.0149 (180deg=-0.249) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 8 -2.598 -13.029 -0.104 1.00 0.00 N ATOM 69 CA VAL A 8 -2.196 -11.641 -0.301 1.00 0.00 C ATOM 70 C VAL A 8 -1.174 -11.519 -1.427 1.00 0.00 C ATOM 71 O VAL A 8 -1.205 -10.568 -2.206 1.00 0.00 O ATOM 72 CB VAL A 8 -1.601 -11.039 0.985 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.386 -9.542 0.825 1.00 0.00 C ATOM 74 CG2 VAL A 8 -2.499 -11.332 2.177 1.00 0.00 C ATOM 0 HA VAL A 8 -3.096 -11.087 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.632 -11.504 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.965 -9.135 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.699 -9.359 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.340 -9.058 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.062 -10.899 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.484 -10.897 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.595 -12.410 2.304 1.00 0.00 H new ATOM 84 N SER A 9 -0.269 -12.490 -1.504 1.00 0.00 N ATOM 85 CA SER A 9 0.764 -12.490 -2.535 1.00 0.00 C ATOM 86 C SER A 9 0.144 -12.547 -3.927 1.00 0.00 C ATOM 87 O SER A 9 0.705 -12.022 -4.889 1.00 0.00 O ATOM 88 CB SER A 9 1.710 -13.675 -2.337 1.00 0.00 C ATOM 89 OG SER A 9 2.839 -13.303 -1.566 1.00 0.00 O ATOM 0 H SER A 9 -0.230 -13.285 -0.866 1.00 0.00 H new ATOM 0 HA SER A 9 1.330 -11.563 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.180 -14.489 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.036 -14.050 -3.307 1.00 0.00 H new ATOM 0 HG SER A 9 3.427 -14.078 -1.452 1.00 0.00 H new ATOM 95 N GLN A 10 -1.017 -13.188 -4.029 1.00 0.00 N ATOM 96 CA GLN A 10 -1.712 -13.313 -5.304 1.00 0.00 C ATOM 97 C GLN A 10 -2.036 -11.942 -5.886 1.00 0.00 C ATOM 98 O GLN A 10 -1.870 -11.710 -7.085 1.00 0.00 O ATOM 99 CB GLN A 10 -3.000 -14.121 -5.129 1.00 0.00 C ATOM 100 CG GLN A 10 -3.374 -14.942 -6.352 1.00 0.00 C ATOM 101 CD GLN A 10 -4.348 -16.058 -6.029 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.278 -16.669 -4.963 1.00 0.00 O ATOM 103 NE2 GLN A 10 -5.261 -16.331 -6.953 1.00 0.00 N ATOM 0 H GLN A 10 -1.495 -13.629 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.053 -13.835 -5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.887 -14.788 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.818 -13.439 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.814 -14.287 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.471 -15.368 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.282 -15.798 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.942 -17.073 -6.793 1.00 0.00 H new ATOM 112 N ARG A 11 -2.498 -11.035 -5.032 1.00 0.00 N ATOM 113 CA ARG A 11 -2.843 -9.685 -5.462 1.00 0.00 C ATOM 114 C ARG A 11 -1.591 -8.895 -5.836 1.00 0.00 C ATOM 115 O ARG A 11 -0.509 -9.144 -5.305 1.00 0.00 O ATOM 116 CB ARG A 11 -3.611 -8.956 -4.358 1.00 0.00 C ATOM 117 CG ARG A 11 -4.834 -9.713 -3.867 1.00 0.00 C ATOM 118 CD ARG A 11 -6.023 -9.518 -4.795 1.00 0.00 C ATOM 119 NE ARG A 11 -7.108 -8.785 -4.149 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.962 -9.332 -3.287 1.00 0.00 C ATOM 121 NH1 ARG A 11 -7.861 -10.617 -2.967 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.920 -8.594 -2.742 1.00 0.00 N ATOM 0 H ARG A 11 -2.642 -11.210 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.477 -9.763 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.941 -8.779 -3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.923 -7.979 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.600 -10.775 -3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.095 -9.373 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.702 -8.979 -5.687 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.389 -10.490 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.218 -7.796 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.126 -11.190 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.518 -11.031 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.003 -7.606 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.574 -9.014 -2.082 1.00 0.00 H new ATOM 136 N PRO A 12 -1.723 -7.927 -6.760 1.00 0.00 N ATOM 137 CA PRO A 12 -0.597 -7.098 -7.204 1.00 0.00 C ATOM 138 C PRO A 12 0.164 -6.481 -6.036 1.00 0.00 C ATOM 139 O PRO A 12 -0.317 -6.472 -4.903 1.00 0.00 O ATOM 140 CB PRO A 12 -1.268 -6.008 -8.041 1.00 0.00 C ATOM 141 CG PRO A 12 -2.526 -6.633 -8.534 1.00 0.00 C ATOM 142 CD PRO A 12 -2.979 -7.565 -7.444 1.00 0.00 C ATOM 0 HA PRO A 12 0.146 -7.678 -7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.474 -5.120 -7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.631 -5.695 -8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.283 -5.876 -8.740 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.354 -7.174 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.680 -7.079 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.483 -8.442 -7.849 1.00 0.00 H new ATOM 150 N PHE A 13 1.356 -5.965 -6.320 1.00 0.00 N ATOM 151 CA PHE A 13 2.184 -5.344 -5.293 1.00 0.00 C ATOM 152 C PHE A 13 1.582 -4.020 -4.834 1.00 0.00 C ATOM 153 O PHE A 13 1.534 -3.729 -3.639 1.00 0.00 O ATOM 154 CB PHE A 13 3.602 -5.117 -5.819 1.00 0.00 C ATOM 155 CG PHE A 13 4.578 -4.702 -4.757 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.885 -5.554 -3.708 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.188 -3.459 -4.805 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.782 -5.176 -2.728 1.00 0.00 C ATOM 159 CE2 PHE A 13 6.087 -3.074 -3.828 1.00 0.00 C ATOM 160 CZ PHE A 13 6.384 -3.934 -2.788 1.00 0.00 C ATOM 0 H PHE A 13 1.770 -5.965 -7.252 1.00 0.00 H new ATOM 0 HA PHE A 13 2.224 -6.019 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.957 -6.034 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.575 -4.352 -6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.417 -6.526 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.958 -2.783 -5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.012 -5.850 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.556 -2.103 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.086 -3.636 -2.023 1.00 0.00 H new ATOM 170 N ARG A 14 1.124 -3.221 -5.792 1.00 0.00 N ATOM 171 CA ARG A 14 0.524 -1.927 -5.486 1.00 0.00 C ATOM 172 C ARG A 14 -0.704 -2.092 -4.597 1.00 0.00 C ATOM 173 O ARG A 14 -0.931 -1.298 -3.683 1.00 0.00 O ATOM 174 CB ARG A 14 0.139 -1.202 -6.778 1.00 0.00 C ATOM 175 CG ARG A 14 0.201 0.313 -6.666 1.00 0.00 C ATOM 176 CD ARG A 14 0.105 0.976 -8.031 1.00 0.00 C ATOM 177 NE ARG A 14 1.326 0.799 -8.813 1.00 0.00 N ATOM 178 CZ ARG A 14 1.397 0.985 -10.129 1.00 0.00 C ATOM 179 NH1 ARG A 14 0.320 1.353 -10.813 1.00 0.00 N ATOM 180 NH2 ARG A 14 2.548 0.803 -10.763 1.00 0.00 N ATOM 0 H ARG A 14 1.157 -3.446 -6.786 1.00 0.00 H new ATOM 0 HA ARG A 14 1.261 -1.331 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.803 -1.526 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.871 -1.496 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.612 0.666 -6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.133 0.606 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.740 0.558 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.093 2.040 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 14 2.174 0.516 -8.322 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.567 1.495 -10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.380 1.494 -11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.378 0.521 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.603 0.945 -11.772 1.00 0.00 H new ATOM 194 N ASP A 15 -1.492 -3.126 -4.870 1.00 0.00 N ATOM 195 CA ASP A 15 -2.697 -3.395 -4.094 1.00 0.00 C ATOM 196 C ASP A 15 -2.356 -3.630 -2.626 1.00 0.00 C ATOM 197 O ASP A 15 -3.148 -3.313 -1.737 1.00 0.00 O ATOM 198 CB ASP A 15 -3.431 -4.613 -4.660 1.00 0.00 C ATOM 199 CG ASP A 15 -4.478 -4.232 -5.688 1.00 0.00 C ATOM 200 OD1 ASP A 15 -4.103 -3.983 -6.853 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.672 -4.179 -5.327 1.00 0.00 O ATOM 0 H ASP A 15 -1.318 -3.792 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.347 -2.523 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.708 -5.290 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.908 -5.157 -3.845 1.00 0.00 H new ATOM 206 N ARG A 16 -1.175 -4.186 -2.379 1.00 0.00 N ATOM 207 CA ARG A 16 -0.730 -4.462 -1.017 1.00 0.00 C ATOM 208 C ARG A 16 -0.262 -3.185 -0.327 1.00 0.00 C ATOM 209 O ARG A 16 -0.464 -3.008 0.874 1.00 0.00 O ATOM 210 CB ARG A 16 0.400 -5.495 -1.029 1.00 0.00 C ATOM 211 CG ARG A 16 -0.051 -6.885 -1.447 1.00 0.00 C ATOM 212 CD ARG A 16 0.963 -7.553 -2.363 1.00 0.00 C ATOM 213 NE ARG A 16 1.526 -8.762 -1.766 1.00 0.00 N ATOM 214 CZ ARG A 16 2.497 -8.756 -0.856 1.00 0.00 C ATOM 215 NH1 ARG A 16 3.015 -7.610 -0.433 1.00 0.00 N ATOM 216 NH2 ARG A 16 2.951 -9.901 -0.364 1.00 0.00 N ATOM 0 H ARG A 16 -0.509 -4.454 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.575 -4.864 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.183 -5.157 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.842 -5.549 -0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.202 -7.501 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.013 -6.818 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.486 -7.805 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.766 -6.851 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 16 1.153 -9.663 -2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.669 -6.726 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.759 -7.613 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.556 -10.786 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.695 -9.897 0.333 1.00 0.00 H new ATOM 230 N VAL A 17 0.365 -2.300 -1.094 1.00 0.00 N ATOM 231 CA VAL A 17 0.862 -1.039 -0.557 1.00 0.00 C ATOM 232 C VAL A 17 -0.269 -0.034 -0.379 1.00 0.00 C ATOM 233 O VAL A 17 -0.240 0.794 0.532 1.00 0.00 O ATOM 234 CB VAL A 17 1.940 -0.425 -1.469 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.588 0.777 -0.798 1.00 0.00 C ATOM 236 CG2 VAL A 17 2.985 -1.468 -1.837 1.00 0.00 C ATOM 0 H VAL A 17 0.541 -2.433 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 17 1.303 -1.262 0.415 1.00 0.00 H new ATOM 0 HB VAL A 17 1.461 -0.084 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.347 1.197 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.829 1.532 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.053 0.465 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.739 -1.016 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.460 -1.842 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.506 -2.294 -2.363 1.00 0.00 H new ATOM 246 N LEU A 18 -1.266 -0.110 -1.255 1.00 0.00 N ATOM 247 CA LEU A 18 -2.409 0.794 -1.194 1.00 0.00 C ATOM 248 C LEU A 18 -3.231 0.549 0.067 1.00 0.00 C ATOM 249 O LEU A 18 -3.545 1.481 0.806 1.00 0.00 O ATOM 250 CB LEU A 18 -3.288 0.621 -2.434 1.00 0.00 C ATOM 251 CG LEU A 18 -4.533 1.509 -2.473 1.00 0.00 C ATOM 252 CD1 LEU A 18 -4.182 2.897 -2.987 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.611 0.875 -3.339 1.00 0.00 C ATOM 0 H LEU A 18 -1.305 -0.788 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.032 1.816 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.686 0.826 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.601 -0.421 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.920 1.607 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.080 3.515 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.443 3.353 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.772 2.819 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.490 1.520 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.234 0.748 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.882 -0.098 -2.928 1.00 0.00 H new ATOM 265 N HIS A 19 -3.577 -0.712 0.306 1.00 0.00 N ATOM 266 CA HIS A 19 -4.364 -1.080 1.477 1.00 0.00 C ATOM 267 C HIS A 19 -3.600 -0.782 2.763 1.00 0.00 C ATOM 268 O HIS A 19 -4.196 -0.458 3.790 1.00 0.00 O ATOM 269 CB HIS A 19 -4.734 -2.563 1.422 1.00 0.00 C ATOM 270 CG HIS A 19 -5.838 -2.870 0.459 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.633 -3.304 -0.832 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.185 -2.798 0.620 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.833 -3.476 -1.404 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.807 -3.183 -0.564 1.00 0.00 N ATOM 0 H HIS A 19 -3.325 -1.496 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.276 -0.484 1.472 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.851 -3.139 1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.030 -2.892 2.418 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.728 -3.466 -1.274 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.692 -2.491 1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.983 -3.811 -2.420 1.00 0.00 H new ATOM 282 N LEU A 20 -2.277 -0.891 2.698 1.00 0.00 N ATOM 283 CA LEU A 20 -1.431 -0.633 3.858 1.00 0.00 C ATOM 284 C LEU A 20 -1.421 0.854 4.202 1.00 0.00 C ATOM 285 O LEU A 20 -1.738 1.243 5.326 1.00 0.00 O ATOM 286 CB LEU A 20 -0.005 -1.120 3.593 1.00 0.00 C ATOM 287 CG LEU A 20 0.329 -2.493 4.177 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.474 -3.136 3.409 1.00 0.00 C ATOM 289 CD2 LEU A 20 0.677 -2.373 5.654 1.00 0.00 C ATOM 0 H LEU A 20 -1.768 -1.156 1.855 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.841 -1.180 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.158 -1.151 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.694 -0.389 4.000 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.549 -3.131 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.698 -4.112 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.189 -3.256 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.357 -2.501 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.912 -3.359 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.540 -1.718 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.172 -1.955 6.195 1.00 0.00 H new ATOM 301 N LEU A 21 -1.055 1.679 3.227 1.00 0.00 N ATOM 302 CA LEU A 21 -1.003 3.123 3.426 1.00 0.00 C ATOM 303 C LEU A 21 -2.391 3.681 3.729 1.00 0.00 C ATOM 304 O LEU A 21 -2.528 4.670 4.449 1.00 0.00 O ATOM 305 CB LEU A 21 -0.425 3.808 2.186 1.00 0.00 C ATOM 306 CG LEU A 21 0.906 3.239 1.693 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.063 3.469 0.198 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.066 3.861 2.455 1.00 0.00 C ATOM 0 H LEU A 21 -0.790 1.373 2.291 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.356 3.325 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.154 3.738 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.291 4.868 2.404 1.00 0.00 H new ATOM 0 HG LEU A 21 0.911 2.165 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.016 3.058 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.249 2.976 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.037 4.539 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.005 3.445 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.064 4.940 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.961 3.645 3.518 1.00 0.00 H new ATOM 320 N ALA A 22 -3.415 3.039 3.176 1.00 0.00 N ATOM 321 CA ALA A 22 -4.791 3.472 3.386 1.00 0.00 C ATOM 322 C ALA A 22 -5.151 3.459 4.868 1.00 0.00 C ATOM 323 O ALA A 22 -5.812 4.371 5.365 1.00 0.00 O ATOM 324 CB ALA A 22 -5.748 2.587 2.601 1.00 0.00 C ATOM 0 H ALA A 22 -3.318 2.217 2.579 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.882 4.497 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.772 2.922 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.513 2.650 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.645 1.554 2.934 1.00 0.00 H new ATOM 330 N LEU A 23 -4.712 2.418 5.570 1.00 0.00 N ATOM 331 CA LEU A 23 -4.988 2.286 6.995 1.00 0.00 C ATOM 332 C LEU A 23 -4.311 3.401 7.786 1.00 0.00 C ATOM 333 O LEU A 23 -4.934 4.042 8.633 1.00 0.00 O ATOM 334 CB LEU A 23 -4.515 0.923 7.504 1.00 0.00 C ATOM 335 CG LEU A 23 -5.483 -0.234 7.253 1.00 0.00 C ATOM 336 CD1 LEU A 23 -4.943 -1.521 7.857 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.857 0.089 7.822 1.00 0.00 C ATOM 0 H LEU A 23 -4.164 1.654 5.174 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.065 2.365 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.561 0.687 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.331 0.996 8.576 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.581 -0.375 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.645 -2.334 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.981 -1.760 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.816 -1.393 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.534 -0.745 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.776 0.256 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.247 0.987 7.343 1.00 0.00 H new ATOM 349 N ARG A 24 -3.032 3.627 7.504 1.00 0.00 N ATOM 350 CA ARG A 24 -2.270 4.665 8.188 1.00 0.00 C ATOM 351 C ARG A 24 -0.907 4.863 7.532 1.00 0.00 C ATOM 352 O ARG A 24 -0.419 3.987 6.818 1.00 0.00 O ATOM 353 CB ARG A 24 -2.092 4.306 9.664 1.00 0.00 C ATOM 354 CG ARG A 24 -1.492 2.927 9.888 1.00 0.00 C ATOM 355 CD ARG A 24 -0.828 2.822 11.251 1.00 0.00 C ATOM 356 NE ARG A 24 -1.068 1.524 11.878 1.00 0.00 N ATOM 357 CZ ARG A 24 -2.215 1.183 12.461 1.00 0.00 C ATOM 358 NH1 ARG A 24 -3.229 2.039 12.497 1.00 0.00 N ATOM 359 NH2 ARG A 24 -2.349 -0.017 13.008 1.00 0.00 N ATOM 0 H ARG A 24 -2.502 3.105 6.806 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.827 5.599 8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.453 5.052 10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.061 4.356 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.273 2.171 9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.760 2.717 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.245 2.980 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.204 3.613 11.900 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.312 0.839 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.131 2.963 12.077 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.106 1.773 12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.573 -0.679 12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.228 -0.279 13.455 1.00 0.00 H new ATOM 373 N PRO A 25 -0.269 6.022 7.769 1.00 0.00 N ATOM 374 CA PRO A 25 1.046 6.331 7.197 1.00 0.00 C ATOM 375 C PRO A 25 2.074 5.243 7.488 1.00 0.00 C ATOM 376 O PRO A 25 2.242 4.824 8.633 1.00 0.00 O ATOM 377 CB PRO A 25 1.440 7.638 7.889 1.00 0.00 C ATOM 378 CG PRO A 25 0.148 8.261 8.290 1.00 0.00 C ATOM 379 CD PRO A 25 -0.778 7.121 8.610 1.00 0.00 C ATOM 0 HA PRO A 25 1.009 6.405 6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.075 7.451 8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.001 8.288 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.280 8.911 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.255 8.877 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.748 6.864 9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.813 7.364 8.370 1.00 0.00 H new ATOM 387 N TYR A 26 2.759 4.788 6.445 1.00 0.00 N ATOM 388 CA TYR A 26 3.770 3.747 6.589 1.00 0.00 C ATOM 389 C TYR A 26 5.096 4.189 5.976 1.00 0.00 C ATOM 390 O TYR A 26 5.190 4.413 4.769 1.00 0.00 O ATOM 391 CB TYR A 26 3.296 2.451 5.929 1.00 0.00 C ATOM 392 CG TYR A 26 2.551 1.530 6.869 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.224 0.822 7.857 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.175 1.368 6.768 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.547 -0.020 8.718 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.491 0.527 7.625 1.00 0.00 C ATOM 397 CZ TYR A 26 1.181 -0.164 8.597 1.00 0.00 C ATOM 398 OH TYR A 26 0.503 -1.003 9.453 1.00 0.00 O ATOM 0 H TYR A 26 2.633 5.124 5.490 1.00 0.00 H new ATOM 0 HA TYR A 26 3.923 3.569 7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.649 2.697 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.159 1.923 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.294 0.932 7.954 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.631 1.908 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.085 -0.562 9.482 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.579 0.412 7.533 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.452 -0.990 9.235 1.00 0.00 H new ATOM 408 N ARG A 27 6.119 4.310 6.817 1.00 0.00 N ATOM 409 CA ARG A 27 7.440 4.723 6.358 1.00 0.00 C ATOM 410 C ARG A 27 8.039 3.683 5.418 1.00 0.00 C ATOM 411 O ARG A 27 7.455 2.623 5.194 1.00 0.00 O ATOM 412 CB ARG A 27 8.371 4.946 7.551 1.00 0.00 C ATOM 413 CG ARG A 27 7.758 5.801 8.649 1.00 0.00 C ATOM 414 CD ARG A 27 8.812 6.279 9.634 1.00 0.00 C ATOM 415 NE ARG A 27 8.217 6.789 10.867 1.00 0.00 N ATOM 416 CZ ARG A 27 8.859 7.576 11.730 1.00 0.00 C ATOM 417 NH1 ARG A 27 10.113 7.943 11.497 1.00 0.00 N ATOM 418 NH2 ARG A 27 8.244 7.994 12.827 1.00 0.00 N ATOM 0 H ARG A 27 6.058 4.128 7.819 1.00 0.00 H new ATOM 0 HA ARG A 27 7.331 5.660 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.651 3.979 7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.288 5.420 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.256 6.661 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.998 5.226 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.487 5.456 9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.413 7.061 9.171 1.00 0.00 H new ATOM 0 HE ARG A 27 7.254 6.528 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.590 7.623 10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.600 8.545 12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.281 7.713 13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.734 8.596 13.488 1.00 0.00 H new ATOM 432 N LYS A 28 9.210 3.994 4.869 1.00 0.00 N ATOM 433 CA LYS A 28 9.889 3.085 3.954 1.00 0.00 C ATOM 434 C LYS A 28 10.306 1.803 4.668 1.00 0.00 C ATOM 435 O LYS A 28 10.041 0.699 4.190 1.00 0.00 O ATOM 436 CB LYS A 28 11.115 3.769 3.341 1.00 0.00 C ATOM 437 CG LYS A 28 11.024 3.943 1.833 1.00 0.00 C ATOM 438 CD LYS A 28 12.129 3.186 1.114 1.00 0.00 C ATOM 439 CE LYS A 28 11.819 1.699 1.023 1.00 0.00 C ATOM 440 NZ LYS A 28 11.236 1.334 -0.297 1.00 0.00 N ATOM 0 H LYS A 28 9.707 4.868 5.042 1.00 0.00 H new ATOM 0 HA LYS A 28 9.193 2.822 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.245 4.747 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.004 3.184 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.054 3.590 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.087 5.002 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.258 3.594 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.072 3.330 1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.732 1.127 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.123 1.424 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.039 0.313 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.351 1.861 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.910 1.573 -1.052 1.00 0.00 H new ATOM 454 N ALA A 29 10.960 1.956 5.814 1.00 0.00 N ATOM 455 CA ALA A 29 11.413 0.810 6.594 1.00 0.00 C ATOM 456 C ALA A 29 10.246 0.135 7.307 1.00 0.00 C ATOM 457 O ALA A 29 10.170 -1.092 7.368 1.00 0.00 O ATOM 458 CB ALA A 29 12.469 1.243 7.600 1.00 0.00 C ATOM 0 H ALA A 29 11.188 2.862 6.223 1.00 0.00 H new ATOM 0 HA ALA A 29 11.853 0.086 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.799 0.378 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.320 1.673 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.046 1.988 8.274 1.00 0.00 H new ATOM 464 N GLU A 30 9.339 0.944 7.845 1.00 0.00 N ATOM 465 CA GLU A 30 8.177 0.424 8.554 1.00 0.00 C ATOM 466 C GLU A 30 7.290 -0.394 7.619 1.00 0.00 C ATOM 467 O GLU A 30 6.665 -1.370 8.034 1.00 0.00 O ATOM 468 CB GLU A 30 7.372 1.571 9.169 1.00 0.00 C ATOM 469 CG GLU A 30 7.013 1.348 10.630 1.00 0.00 C ATOM 470 CD GLU A 30 6.304 0.028 10.861 1.00 0.00 C ATOM 471 OE1 GLU A 30 5.172 -0.133 10.360 1.00 0.00 O ATOM 472 OE2 GLU A 30 6.882 -0.844 11.544 1.00 0.00 O ATOM 0 H GLU A 30 9.387 1.962 7.803 1.00 0.00 H new ATOM 0 HA GLU A 30 8.531 -0.229 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.945 2.494 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.456 1.709 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.921 1.379 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.376 2.163 10.972 1.00 0.00 H new ATOM 479 N LEU A 31 7.241 0.011 6.354 1.00 0.00 N ATOM 480 CA LEU A 31 6.432 -0.684 5.360 1.00 0.00 C ATOM 481 C LEU A 31 7.165 -1.906 4.815 1.00 0.00 C ATOM 482 O LEU A 31 6.546 -2.915 4.480 1.00 0.00 O ATOM 483 CB LEU A 31 6.072 0.261 4.212 1.00 0.00 C ATOM 484 CG LEU A 31 4.930 -0.217 3.314 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.584 0.067 3.965 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.014 0.446 1.947 1.00 0.00 C ATOM 0 H LEU A 31 7.752 0.817 5.993 1.00 0.00 H new ATOM 0 HA LEU A 31 5.517 -1.020 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.803 1.231 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.958 0.414 3.596 1.00 0.00 H new ATOM 0 HG LEU A 31 5.025 -1.295 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.783 -0.280 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.525 -0.455 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.479 1.139 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.194 0.094 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.944 1.528 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.964 0.192 1.477 1.00 0.00 H new ATOM 498 N LEU A 32 8.488 -1.807 4.730 1.00 0.00 N ATOM 499 CA LEU A 32 9.305 -2.904 4.226 1.00 0.00 C ATOM 500 C LEU A 32 9.137 -4.150 5.091 1.00 0.00 C ATOM 501 O LEU A 32 8.924 -5.249 4.580 1.00 0.00 O ATOM 502 CB LEU A 32 10.778 -2.494 4.182 1.00 0.00 C ATOM 503 CG LEU A 32 11.211 -1.775 2.903 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.632 -1.250 3.040 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.098 -2.705 1.704 1.00 0.00 C ATOM 0 H LEU A 32 9.016 -0.979 5.004 1.00 0.00 H new ATOM 0 HA LEU A 32 8.971 -3.137 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.985 -1.845 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.392 -3.386 4.305 1.00 0.00 H new ATOM 0 HG LEU A 32 10.546 -0.926 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.922 -0.742 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.682 -0.549 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.311 -2.082 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.410 -2.177 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.739 -3.574 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.064 -3.032 1.593 1.00 0.00 H new ATOM 517 N LEU A 33 9.234 -3.970 6.405 1.00 0.00 N ATOM 518 CA LEU A 33 9.093 -5.080 7.340 1.00 0.00 C ATOM 519 C LEU A 33 7.713 -5.717 7.224 1.00 0.00 C ATOM 520 O LEU A 33 7.556 -6.924 7.416 1.00 0.00 O ATOM 521 CB LEU A 33 9.326 -4.599 8.774 1.00 0.00 C ATOM 522 CG LEU A 33 10.778 -4.258 9.115 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.835 -3.169 10.175 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.519 -5.500 9.584 1.00 0.00 C ATOM 0 H LEU A 33 9.409 -3.067 6.845 1.00 0.00 H new ATOM 0 HA LEU A 33 9.842 -5.831 7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.711 -3.717 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.979 -5.371 9.461 1.00 0.00 H new ATOM 0 HG LEU A 33 11.266 -3.886 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.875 -2.939 10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.339 -2.273 9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.331 -3.514 11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.550 -5.240 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.031 -5.901 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.508 -6.251 8.794 1.00 0.00 H new ATOM 536 N ARG A 34 6.712 -4.900 6.910 1.00 0.00 N ATOM 537 CA ARG A 34 5.344 -5.385 6.769 1.00 0.00 C ATOM 538 C ARG A 34 5.181 -6.185 5.482 1.00 0.00 C ATOM 539 O ARG A 34 4.627 -7.285 5.488 1.00 0.00 O ATOM 540 CB ARG A 34 4.361 -4.213 6.784 1.00 0.00 C ATOM 541 CG ARG A 34 3.057 -4.523 7.499 1.00 0.00 C ATOM 542 CD ARG A 34 2.304 -5.656 6.821 1.00 0.00 C ATOM 543 NE ARG A 34 0.861 -5.426 6.809 1.00 0.00 N ATOM 544 CZ ARG A 34 0.017 -6.054 5.993 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.467 -6.951 5.124 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.280 -5.786 6.047 1.00 0.00 N ATOM 0 H ARG A 34 6.823 -3.899 6.748 1.00 0.00 H new ATOM 0 HA ARG A 34 5.128 -6.041 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.835 -3.358 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.142 -3.920 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.264 -4.791 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.431 -3.631 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.662 -5.767 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.517 -6.592 7.337 1.00 0.00 H new ATOM 0 HE ARG A 34 0.478 -4.744 7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.464 -7.162 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.184 -7.429 4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.631 -5.099 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.927 -6.267 5.422 1.00 0.00 H new ATOM 560 N LEU A 35 5.665 -5.625 4.377 1.00 0.00 N ATOM 561 CA LEU A 35 5.572 -6.287 3.081 1.00 0.00 C ATOM 562 C LEU A 35 6.364 -7.592 3.078 1.00 0.00 C ATOM 563 O LEU A 35 6.008 -8.543 2.382 1.00 0.00 O ATOM 564 CB LEU A 35 6.085 -5.364 1.975 1.00 0.00 C ATOM 565 CG LEU A 35 5.157 -4.200 1.621 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.734 -3.390 0.471 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.769 -4.716 1.271 1.00 0.00 C ATOM 0 H LEU A 35 6.125 -4.715 4.354 1.00 0.00 H new ATOM 0 HA LEU A 35 4.523 -6.519 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.050 -4.960 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.257 -5.958 1.077 1.00 0.00 H new ATOM 0 HG LEU A 35 5.072 -3.547 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.061 -2.566 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.707 -2.992 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.848 -4.030 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.121 -3.876 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.836 -5.389 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.355 -5.253 2.124 1.00 0.00 H new ATOM 579 N GLN A 36 7.438 -7.629 3.858 1.00 0.00 N ATOM 580 CA GLN A 36 8.281 -8.816 3.944 1.00 0.00 C ATOM 581 C GLN A 36 7.532 -9.967 4.612 1.00 0.00 C ATOM 582 O GLN A 36 7.773 -11.135 4.309 1.00 0.00 O ATOM 583 CB GLN A 36 9.562 -8.502 4.721 1.00 0.00 C ATOM 584 CG GLN A 36 10.815 -8.526 3.860 1.00 0.00 C ATOM 585 CD GLN A 36 12.049 -8.944 4.638 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.296 -8.454 5.738 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.829 -9.853 4.066 1.00 0.00 N ATOM 0 H GLN A 36 7.746 -6.850 4.440 1.00 0.00 H new ATOM 0 HA GLN A 36 8.546 -9.119 2.931 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.466 -7.519 5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.673 -9.224 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.666 -9.212 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.977 -7.536 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.584 -10.232 3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.673 -10.172 4.541 1.00 0.00 H new ATOM 596 N LYS A 37 6.625 -9.629 5.522 1.00 0.00 N ATOM 597 CA LYS A 37 5.842 -10.634 6.233 1.00 0.00 C ATOM 598 C LYS A 37 5.035 -11.486 5.258 1.00 0.00 C ATOM 599 O LYS A 37 5.131 -12.713 5.264 1.00 0.00 O ATOM 600 CB LYS A 37 4.905 -9.964 7.239 1.00 0.00 C ATOM 601 CG LYS A 37 5.610 -9.476 8.495 1.00 0.00 C ATOM 602 CD LYS A 37 4.646 -9.360 9.665 1.00 0.00 C ATOM 603 CE LYS A 37 4.714 -10.582 10.566 1.00 0.00 C ATOM 604 NZ LYS A 37 3.887 -10.414 11.793 1.00 0.00 N ATOM 0 H LYS A 37 6.414 -8.666 5.785 1.00 0.00 H new ATOM 0 HA LYS A 37 6.534 -11.284 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.412 -9.119 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.124 -10.670 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.415 -10.164 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.069 -8.506 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.880 -8.467 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.630 -9.239 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.373 -11.459 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.750 -10.767 10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.960 -11.269 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.229 -9.593 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.894 -10.263 11.524 1.00 0.00 H new ATOM 618 N ASP A 38 4.241 -10.826 4.422 1.00 0.00 N ATOM 619 CA ASP A 38 3.417 -11.524 3.441 1.00 0.00 C ATOM 620 C ASP A 38 4.253 -11.968 2.245 1.00 0.00 C ATOM 621 O ASP A 38 4.038 -13.045 1.690 1.00 0.00 O ATOM 622 CB ASP A 38 2.273 -10.622 2.972 1.00 0.00 C ATOM 623 CG ASP A 38 0.999 -10.847 3.763 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.315 -11.861 3.510 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.685 -10.010 4.635 1.00 0.00 O ATOM 0 H ASP A 38 4.150 -9.810 4.404 1.00 0.00 H new ATOM 0 HA ASP A 38 3.000 -12.411 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.575 -9.579 3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.079 -10.806 1.915 1.00 0.00 H new ATOM 630 N GLY A 39 5.207 -11.130 1.853 1.00 0.00 N ATOM 631 CA GLY A 39 6.061 -11.455 0.725 1.00 0.00 C ATOM 632 C GLY A 39 6.781 -10.239 0.175 1.00 0.00 C ATOM 633 O GLY A 39 6.150 -9.242 -0.175 1.00 0.00 O ATOM 0 H GLY A 39 5.404 -10.232 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.795 -12.200 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.460 -11.906 -0.065 1.00 0.00 H new ATOM 637 N LEU A 40 8.105 -10.322 0.098 1.00 0.00 N ATOM 638 CA LEU A 40 8.912 -9.221 -0.413 1.00 0.00 C ATOM 639 C LEU A 40 10.299 -9.705 -0.822 1.00 0.00 C ATOM 640 O LEU A 40 10.880 -10.574 -0.171 1.00 0.00 O ATOM 641 CB LEU A 40 9.034 -8.118 0.640 1.00 0.00 C ATOM 642 CG LEU A 40 9.465 -6.753 0.102 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.374 -6.157 -0.774 1.00 0.00 C ATOM 644 CD2 LEU A 40 9.804 -5.812 1.249 1.00 0.00 C ATOM 0 H LEU A 40 8.642 -11.141 0.383 1.00 0.00 H new ATOM 0 HA LEU A 40 8.414 -8.819 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.072 -8.007 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.752 -8.436 1.396 1.00 0.00 H new ATOM 0 HG LEU A 40 10.359 -6.888 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.698 -5.186 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.178 -6.823 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.463 -6.035 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.109 -4.845 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.928 -5.682 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.619 -6.234 1.837 1.00 0.00 H new ATOM 656 N THR A 41 10.824 -9.138 -1.903 1.00 0.00 N ATOM 657 CA THR A 41 12.144 -9.510 -2.399 1.00 0.00 C ATOM 658 C THR A 41 12.869 -8.299 -2.976 1.00 0.00 C ATOM 659 O THR A 41 12.274 -7.236 -3.159 1.00 0.00 O ATOM 660 CB THR A 41 12.020 -10.604 -3.461 1.00 0.00 C ATOM 661 OG1 THR A 41 13.298 -10.987 -3.940 1.00 0.00 O ATOM 662 CG2 THR A 41 11.185 -10.188 -4.654 1.00 0.00 C ATOM 0 H THR A 41 10.355 -8.418 -2.453 1.00 0.00 H new ATOM 0 HA THR A 41 12.728 -9.892 -1.562 1.00 0.00 H new ATOM 0 HB THR A 41 11.522 -11.435 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.197 -11.689 -4.617 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.137 -11.009 -5.369 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.177 -9.936 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.638 -9.318 -5.130 1.00 0.00 H new ATOM 670 N GLN A 42 14.156 -8.465 -3.264 1.00 0.00 N ATOM 671 CA GLN A 42 14.964 -7.385 -3.821 1.00 0.00 C ATOM 672 C GLN A 42 14.315 -6.805 -5.076 1.00 0.00 C ATOM 673 O GLN A 42 14.484 -5.625 -5.384 1.00 0.00 O ATOM 674 CB GLN A 42 16.371 -7.888 -4.149 1.00 0.00 C ATOM 675 CG GLN A 42 17.456 -6.845 -3.935 1.00 0.00 C ATOM 676 CD GLN A 42 17.586 -6.429 -2.482 1.00 0.00 C ATOM 677 OE1 GLN A 42 17.653 -7.272 -1.587 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.623 -5.124 -2.241 1.00 0.00 N ATOM 0 H GLN A 42 14.663 -9.339 -3.121 1.00 0.00 H new ATOM 0 HA GLN A 42 15.031 -6.596 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.589 -8.759 -3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 42 16.397 -8.219 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 42 18.410 -7.242 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 42 17.236 -5.967 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.564 -4.461 -3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.710 -4.785 -1.283 1.00 0.00 H new ATOM 687 N ALA A 43 13.574 -7.641 -5.794 1.00 0.00 N ATOM 688 CA ALA A 43 12.901 -7.211 -7.013 1.00 0.00 C ATOM 689 C ALA A 43 11.726 -6.290 -6.696 1.00 0.00 C ATOM 690 O ALA A 43 11.378 -5.417 -7.490 1.00 0.00 O ATOM 691 CB ALA A 43 12.427 -8.420 -7.807 1.00 0.00 C ATOM 0 H ALA A 43 13.424 -8.621 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 43 13.616 -6.650 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.926 -8.085 -8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.284 -9.040 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.732 -9.002 -7.203 1.00 0.00 H new ATOM 697 N ASP A 44 11.120 -6.492 -5.530 1.00 0.00 N ATOM 698 CA ASP A 44 9.985 -5.679 -5.108 1.00 0.00 C ATOM 699 C ASP A 44 10.437 -4.531 -4.211 1.00 0.00 C ATOM 700 O ASP A 44 9.776 -3.495 -4.134 1.00 0.00 O ATOM 701 CB ASP A 44 8.959 -6.544 -4.372 1.00 0.00 C ATOM 702 CG ASP A 44 8.115 -7.373 -5.320 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.475 -6.783 -6.216 1.00 0.00 O ATOM 704 OD2 ASP A 44 8.094 -8.613 -5.166 1.00 0.00 O ATOM 0 H ASP A 44 11.396 -7.211 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 44 9.523 -5.256 -6.000 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.477 -7.206 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.309 -5.904 -3.776 1.00 0.00 H new ATOM 709 N LYS A 45 11.565 -4.721 -3.533 1.00 0.00 N ATOM 710 CA LYS A 45 12.103 -3.699 -2.640 1.00 0.00 C ATOM 711 C LYS A 45 12.310 -2.380 -3.377 1.00 0.00 C ATOM 712 O LYS A 45 11.742 -1.353 -3.003 1.00 0.00 O ATOM 713 CB LYS A 45 13.426 -4.172 -2.032 1.00 0.00 C ATOM 714 CG LYS A 45 13.264 -4.871 -0.692 1.00 0.00 C ATOM 715 CD LYS A 45 13.755 -4.002 0.455 1.00 0.00 C ATOM 716 CE LYS A 45 15.255 -3.772 0.378 1.00 0.00 C ATOM 717 NZ LYS A 45 16.016 -4.798 1.144 1.00 0.00 N ATOM 0 H LYS A 45 12.124 -5.573 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 45 11.380 -3.534 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.915 -4.852 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.086 -3.314 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.215 -5.122 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.818 -5.810 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.237 -3.043 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.507 -4.477 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.572 -3.789 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.490 -2.781 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.035 -4.605 1.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.733 -4.765 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.812 -5.742 0.758 1.00 0.00 H new ATOM 731 N ASP A 46 13.127 -2.414 -4.424 1.00 0.00 N ATOM 732 CA ASP A 46 13.410 -1.220 -5.212 1.00 0.00 C ATOM 733 C ASP A 46 12.131 -0.649 -5.816 1.00 0.00 C ATOM 734 O ASP A 46 11.976 0.567 -5.931 1.00 0.00 O ATOM 735 CB ASP A 46 14.414 -1.542 -6.321 1.00 0.00 C ATOM 736 CG ASP A 46 13.885 -2.580 -7.294 1.00 0.00 C ATOM 737 OD1 ASP A 46 14.013 -3.787 -7.001 1.00 0.00 O ATOM 738 OD2 ASP A 46 13.344 -2.184 -8.348 1.00 0.00 O ATOM 0 H ASP A 46 13.605 -3.255 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 46 13.841 -0.471 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.657 -0.629 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.340 -1.904 -5.875 1.00 0.00 H new ATOM 743 N ALA A 47 11.217 -1.533 -6.202 1.00 0.00 N ATOM 744 CA ALA A 47 9.952 -1.117 -6.795 1.00 0.00 C ATOM 745 C ALA A 47 9.086 -0.381 -5.779 1.00 0.00 C ATOM 746 O ALA A 47 8.333 0.528 -6.132 1.00 0.00 O ATOM 747 CB ALA A 47 9.209 -2.321 -7.352 1.00 0.00 C ATOM 0 H ALA A 47 11.329 -2.543 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 47 10.170 -0.430 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.266 -1.995 -7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.819 -2.803 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.009 -3.029 -6.548 1.00 0.00 H new ATOM 753 N LEU A 48 9.194 -0.780 -4.516 1.00 0.00 N ATOM 754 CA LEU A 48 8.418 -0.158 -3.448 1.00 0.00 C ATOM 755 C LEU A 48 8.716 1.335 -3.356 1.00 0.00 C ATOM 756 O LEU A 48 7.850 2.129 -2.985 1.00 0.00 O ATOM 757 CB LEU A 48 8.723 -0.832 -2.109 1.00 0.00 C ATOM 758 CG LEU A 48 7.865 -0.359 -0.935 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.394 -0.637 -1.203 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.310 -1.033 0.354 1.00 0.00 C ATOM 0 H LEU A 48 9.811 -1.531 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 48 7.361 -0.286 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.593 -1.908 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.772 -0.662 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 48 7.996 0.717 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.799 -0.294 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.082 -0.109 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.245 -1.708 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.689 -0.685 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.208 -2.114 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.352 -0.784 0.554 1.00 0.00 H new ATOM 772 N ASP A 49 9.944 1.711 -3.698 1.00 0.00 N ATOM 773 CA ASP A 49 10.356 3.110 -3.653 1.00 0.00 C ATOM 774 C ASP A 49 9.612 3.930 -4.702 1.00 0.00 C ATOM 775 O ASP A 49 9.032 4.972 -4.392 1.00 0.00 O ATOM 776 CB ASP A 49 11.865 3.225 -3.877 1.00 0.00 C ATOM 777 CG ASP A 49 12.454 4.454 -3.212 1.00 0.00 C ATOM 778 OD1 ASP A 49 12.427 5.537 -3.836 1.00 0.00 O ATOM 779 OD2 ASP A 49 12.944 4.334 -2.070 1.00 0.00 O ATOM 0 H ASP A 49 10.671 1.067 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 49 10.110 3.504 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.357 2.333 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.069 3.261 -4.947 1.00 0.00 H new ATOM 784 N GLY A 50 9.632 3.456 -5.943 1.00 0.00 N ATOM 785 CA GLY A 50 8.958 4.160 -7.017 1.00 0.00 C ATOM 786 C GLY A 50 7.447 4.076 -6.911 1.00 0.00 C ATOM 787 O GLY A 50 6.736 4.964 -7.382 1.00 0.00 O ATOM 0 H GLY A 50 10.103 2.596 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.262 5.207 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.275 3.745 -7.974 1.00 0.00 H new ATOM 791 N LEU A 51 6.956 3.007 -6.293 1.00 0.00 N ATOM 792 CA LEU A 51 5.520 2.813 -6.129 1.00 0.00 C ATOM 793 C LEU A 51 4.946 3.805 -5.123 1.00 0.00 C ATOM 794 O LEU A 51 3.897 4.405 -5.356 1.00 0.00 O ATOM 795 CB LEU A 51 5.227 1.379 -5.678 1.00 0.00 C ATOM 796 CG LEU A 51 4.114 0.673 -6.452 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.649 0.104 -7.757 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.492 -0.427 -5.605 1.00 0.00 C ATOM 0 H LEU A 51 7.531 2.263 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 51 5.042 2.988 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.141 0.792 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.961 1.394 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 51 3.341 1.405 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.842 -0.395 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.048 0.912 -8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.441 -0.614 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.701 -0.919 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.256 -1.157 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.072 0.006 -4.697 1.00 0.00 H new ATOM 810 N LEU A 52 5.642 3.976 -4.003 1.00 0.00 N ATOM 811 CA LEU A 52 5.201 4.898 -2.962 1.00 0.00 C ATOM 812 C LEU A 52 5.113 6.323 -3.498 1.00 0.00 C ATOM 813 O LEU A 52 4.184 7.062 -3.174 1.00 0.00 O ATOM 814 CB LEU A 52 6.159 4.848 -1.769 1.00 0.00 C ATOM 815 CG LEU A 52 6.032 3.606 -0.887 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.195 3.523 0.088 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.707 3.616 -0.140 1.00 0.00 C ATOM 0 H LEU A 52 6.513 3.488 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 52 4.208 4.590 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.182 4.907 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.993 5.731 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 52 6.058 2.725 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.088 2.633 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.132 3.468 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.201 4.409 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.634 2.725 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.651 4.504 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.886 3.627 -0.856 1.00 0.00 H new ATOM 829 N GLN A 53 6.086 6.701 -4.321 1.00 0.00 N ATOM 830 CA GLN A 53 6.118 8.037 -4.903 1.00 0.00 C ATOM 831 C GLN A 53 4.873 8.298 -5.747 1.00 0.00 C ATOM 832 O GLN A 53 4.461 9.444 -5.924 1.00 0.00 O ATOM 833 CB GLN A 53 7.374 8.212 -5.758 1.00 0.00 C ATOM 834 CG GLN A 53 8.662 8.231 -4.950 1.00 0.00 C ATOM 835 CD GLN A 53 9.541 9.423 -5.281 1.00 0.00 C ATOM 836 OE1 GLN A 53 9.678 9.804 -6.443 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.141 10.016 -4.256 1.00 0.00 N ATOM 0 H GLN A 53 6.862 6.101 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 53 6.137 8.760 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.424 7.402 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.294 9.142 -6.321 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.420 8.247 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.217 7.312 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.998 9.665 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.745 10.822 -4.416 1.00 0.00 H new ATOM 846 N GLN A 54 4.279 7.229 -6.267 1.00 0.00 N ATOM 847 CA GLN A 54 3.083 7.346 -7.093 1.00 0.00 C ATOM 848 C GLN A 54 1.818 7.186 -6.254 1.00 0.00 C ATOM 849 O GLN A 54 0.933 8.041 -6.278 1.00 0.00 O ATOM 850 CB GLN A 54 3.105 6.300 -8.210 1.00 0.00 C ATOM 851 CG GLN A 54 3.667 6.823 -9.522 1.00 0.00 C ATOM 852 CD GLN A 54 2.842 6.397 -10.721 1.00 0.00 C ATOM 853 OE1 GLN A 54 2.778 5.214 -11.056 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.207 7.362 -11.375 1.00 0.00 N ATOM 0 H GLN A 54 4.606 6.272 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 54 3.076 8.342 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.699 5.446 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.091 5.938 -8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.713 7.911 -9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.689 6.465 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.288 8.329 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.638 7.136 -12.191 1.00 0.00 H new ATOM 863 N VAL A 55 1.740 6.085 -5.514 1.00 0.00 N ATOM 864 CA VAL A 55 0.582 5.813 -4.670 1.00 0.00 C ATOM 865 C VAL A 55 0.843 6.223 -3.225 1.00 0.00 C ATOM 866 O VAL A 55 0.359 5.583 -2.291 1.00 0.00 O ATOM 867 CB VAL A 55 0.197 4.321 -4.709 1.00 0.00 C ATOM 868 CG1 VAL A 55 -0.365 3.950 -6.072 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.397 3.452 -4.363 1.00 0.00 C ATOM 0 H VAL A 55 2.464 5.367 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.243 6.404 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.578 4.144 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.631 2.893 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.253 4.549 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.385 4.141 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.107 2.402 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.195 3.630 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.750 3.700 -3.362 1.00 0.00 H new ATOM 879 N ALA A 56 1.609 7.293 -3.047 1.00 0.00 N ATOM 880 CA ALA A 56 1.933 7.790 -1.714 1.00 0.00 C ATOM 881 C ALA A 56 2.770 9.063 -1.792 1.00 0.00 C ATOM 882 O ALA A 56 3.294 9.410 -2.851 1.00 0.00 O ATOM 883 CB ALA A 56 2.663 6.721 -0.914 1.00 0.00 C ATOM 0 H ALA A 56 2.018 7.834 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 56 0.999 8.032 -1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.898 7.106 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.028 5.840 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.586 6.450 -1.426 1.00 0.00 H new ATOM 889 N ASN A 57 2.890 9.756 -0.663 1.00 0.00 N ATOM 890 CA ASN A 57 3.664 10.990 -0.603 1.00 0.00 C ATOM 891 C ASN A 57 4.657 10.955 0.554 1.00 0.00 C ATOM 892 O ASN A 57 4.281 10.715 1.700 1.00 0.00 O ATOM 893 CB ASN A 57 2.732 12.195 -0.453 1.00 0.00 C ATOM 894 CG ASN A 57 1.667 12.238 -1.531 1.00 0.00 C ATOM 895 OD1 ASN A 57 1.969 12.397 -2.714 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.409 12.098 -1.126 1.00 0.00 N ATOM 0 H ASN A 57 2.461 9.483 0.221 1.00 0.00 H new ATOM 0 HA ASN A 57 4.222 11.084 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.254 12.161 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.320 13.112 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.351 12.120 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.204 11.968 -0.135 1.00 0.00 H new ATOM 903 N MET A 58 5.927 11.195 0.244 1.00 0.00 N ATOM 904 CA MET A 58 6.975 11.192 1.258 1.00 0.00 C ATOM 905 C MET A 58 6.837 12.396 2.186 1.00 0.00 C ATOM 906 O MET A 58 6.151 13.365 1.863 1.00 0.00 O ATOM 907 CB MET A 58 8.355 11.193 0.595 1.00 0.00 C ATOM 908 CG MET A 58 9.163 9.937 0.872 1.00 0.00 C ATOM 909 SD MET A 58 9.044 8.727 -0.460 1.00 0.00 S ATOM 910 CE MET A 58 10.147 7.452 0.141 1.00 0.00 C ATOM 0 H MET A 58 6.255 11.394 -0.701 1.00 0.00 H new ATOM 0 HA MET A 58 6.869 10.286 1.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.231 11.305 -0.482 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.916 12.060 0.944 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.209 10.207 1.020 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.817 9.484 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.180 6.632 -0.576 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.148 7.866 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.786 7.081 1.100 1.00 0.00 H new ATOM 920 N SER A 59 7.496 12.326 3.339 1.00 0.00 N ATOM 921 CA SER A 59 7.448 13.410 4.313 1.00 0.00 C ATOM 922 C SER A 59 8.853 13.881 4.673 1.00 0.00 C ATOM 923 O SER A 59 9.788 13.082 4.738 1.00 0.00 O ATOM 924 CB SER A 59 6.710 12.957 5.575 1.00 0.00 C ATOM 925 OG SER A 59 6.097 14.055 6.229 1.00 0.00 O ATOM 0 H SER A 59 8.069 11.530 3.621 1.00 0.00 H new ATOM 0 HA SER A 59 6.909 14.244 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.953 12.218 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.410 12.470 6.254 1.00 0.00 H new ATOM 0 HG SER A 59 5.631 13.739 7.031 1.00 0.00 H new ATOM 931 N ALA A 60 8.995 15.181 4.905 1.00 0.00 N ATOM 932 CA ALA A 60 10.287 15.757 5.259 1.00 0.00 C ATOM 933 C ALA A 60 10.550 15.639 6.756 1.00 0.00 C ATOM 934 O ALA A 60 9.646 15.818 7.571 1.00 0.00 O ATOM 935 CB ALA A 60 10.350 17.214 4.824 1.00 0.00 C ATOM 0 H ALA A 60 8.232 15.856 4.854 1.00 0.00 H new ATOM 0 HA ALA A 60 11.062 15.197 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.319 17.633 5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.215 17.277 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.560 17.777 5.322 1.00 0.00 H new ATOM 941 N LYS A 61 11.795 15.335 7.109 1.00 0.00 N ATOM 942 CA LYS A 61 12.178 15.192 8.510 1.00 0.00 C ATOM 943 C LYS A 61 11.381 14.079 9.181 1.00 0.00 C ATOM 944 O LYS A 61 11.104 14.137 10.380 1.00 0.00 O ATOM 945 CB LYS A 61 11.962 16.511 9.255 1.00 0.00 C ATOM 946 CG LYS A 61 12.759 16.617 10.545 1.00 0.00 C ATOM 947 CD LYS A 61 14.105 17.290 10.319 1.00 0.00 C ATOM 948 CE LYS A 61 15.258 16.331 10.565 1.00 0.00 C ATOM 949 NZ LYS A 61 15.870 16.531 11.907 1.00 0.00 N ATOM 0 H LYS A 61 12.555 15.183 6.446 1.00 0.00 H new ATOM 0 HA LYS A 61 13.235 14.930 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.235 17.338 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.902 16.621 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.188 17.183 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.915 15.621 10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.157 17.668 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.198 18.150 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.901 15.305 10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.017 16.471 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.652 15.858 12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.233 17.503 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.152 16.372 12.643 1.00 0.00 H new ATOM 963 N ASP A 62 11.015 13.066 8.403 1.00 0.00 N ATOM 964 CA ASP A 62 10.250 11.939 8.923 1.00 0.00 C ATOM 965 C ASP A 62 10.379 10.725 8.008 1.00 0.00 C ATOM 966 O ASP A 62 10.733 9.634 8.455 1.00 0.00 O ATOM 967 CB ASP A 62 8.778 12.323 9.077 1.00 0.00 C ATOM 968 CG ASP A 62 8.522 13.150 10.321 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.114 12.835 11.375 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.731 14.113 10.242 1.00 0.00 O ATOM 0 H ASP A 62 11.236 13.002 7.409 1.00 0.00 H new ATOM 0 HA ASP A 62 10.654 11.678 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.458 12.884 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.172 11.418 9.115 1.00 0.00 H new ATOM 975 N GLY A 63 10.088 10.923 6.727 1.00 0.00 N ATOM 976 CA GLY A 63 10.178 9.836 5.770 1.00 0.00 C ATOM 977 C GLY A 63 8.982 8.905 5.837 1.00 0.00 C ATOM 978 O GLY A 63 9.096 7.716 5.541 1.00 0.00 O ATOM 0 H GLY A 63 9.792 11.816 6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.259 10.247 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.089 9.267 5.956 1.00 0.00 H new ATOM 982 N THR A 64 7.833 9.448 6.226 1.00 0.00 N ATOM 983 CA THR A 64 6.612 8.657 6.330 1.00 0.00 C ATOM 984 C THR A 64 5.747 8.824 5.085 1.00 0.00 C ATOM 985 O THR A 64 5.338 9.934 4.746 1.00 0.00 O ATOM 986 CB THR A 64 5.819 9.065 7.574 1.00 0.00 C ATOM 987 OG1 THR A 64 6.670 9.661 8.537 1.00 0.00 O ATOM 988 CG2 THR A 64 5.112 7.905 8.239 1.00 0.00 C ATOM 0 H THR A 64 7.722 10.431 6.474 1.00 0.00 H new ATOM 0 HA THR A 64 6.895 7.608 6.416 1.00 0.00 H new ATOM 0 HB THR A 64 5.068 9.771 7.220 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.145 9.917 9.324 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.569 8.263 9.114 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.411 7.455 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.846 7.160 8.547 1.00 0.00 H new ATOM 996 N CYS A 65 5.474 7.714 4.408 1.00 0.00 N ATOM 997 CA CYS A 65 4.657 7.738 3.200 1.00 0.00 C ATOM 998 C CYS A 65 3.172 7.708 3.547 1.00 0.00 C ATOM 999 O CYS A 65 2.713 6.831 4.279 1.00 0.00 O ATOM 1000 CB CYS A 65 5.006 6.551 2.301 1.00 0.00 C ATOM 1001 SG CYS A 65 6.446 6.825 1.242 1.00 0.00 S ATOM 0 H CYS A 65 5.806 6.787 4.675 1.00 0.00 H new ATOM 0 HA CYS A 65 4.868 8.665 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.189 5.677 2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.146 6.319 1.673 1.00 0.00 H new ATOM 0 HG CYS A 65 7.488 6.255 1.770 1.00 0.00 H new ATOM 1007 N THR A 66 2.425 8.670 3.014 1.00 0.00 N ATOM 1008 CA THR A 66 0.991 8.753 3.268 1.00 0.00 C ATOM 1009 C THR A 66 0.201 8.572 1.976 1.00 0.00 C ATOM 1010 O THR A 66 0.606 9.051 0.916 1.00 0.00 O ATOM 1011 CB THR A 66 0.642 10.096 3.910 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.229 11.164 3.190 1.00 0.00 O ATOM 1013 CG2 THR A 66 1.097 10.206 5.349 1.00 0.00 C ATOM 0 H THR A 66 2.789 9.402 2.404 1.00 0.00 H new ATOM 0 HA THR A 66 0.721 7.951 3.954 1.00 0.00 H new ATOM 0 HB THR A 66 -0.446 10.155 3.884 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.992 12.014 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.819 11.183 5.745 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.621 9.425 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.180 10.090 5.398 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.930 7.881 2.072 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.778 7.637 0.911 1.00 0.00 C ATOM 1023 C LEU A 67 -2.488 8.915 0.479 1.00 0.00 C ATOM 1024 O LEU A 67 -2.744 9.802 1.293 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.807 6.549 1.226 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.422 5.868 0.003 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.574 4.682 -0.430 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.847 5.425 0.301 1.00 0.00 C ATOM 0 H LEU A 67 -1.281 7.480 2.942 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.143 7.301 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.332 5.789 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.608 6.989 1.820 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.449 6.588 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.027 4.210 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.571 5.025 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.515 3.960 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.270 4.942 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.843 4.721 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.451 6.294 0.563 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.804 9.004 -0.809 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.486 10.174 -1.351 1.00 0.00 C ATOM 1042 C GLN A 68 -4.983 10.107 -1.073 1.00 0.00 C ATOM 1043 O GLN A 68 -5.499 9.079 -0.634 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.239 10.283 -2.857 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.792 10.041 -3.256 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.438 10.685 -4.581 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.275 11.328 -5.216 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.191 10.518 -5.007 1.00 0.00 N ATOM 0 H GLN A 68 -2.599 8.280 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.082 11.059 -0.859 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.875 9.564 -3.374 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.539 11.275 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.135 10.431 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.610 8.968 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.470 9.978 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.105 10.930 -5.892 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.678 11.212 -1.330 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.118 11.278 -1.107 1.00 0.00 C ATOM 1059 C ASP A 69 -7.875 10.578 -2.231 1.00 0.00 C ATOM 1060 O ASP A 69 -8.869 9.894 -1.991 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.571 12.736 -0.998 1.00 0.00 C ATOM 1062 CG ASP A 69 -7.736 13.184 0.441 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -8.660 12.685 1.116 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -6.938 14.033 0.893 1.00 0.00 O ATOM 0 H ASP A 69 -5.267 12.072 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.341 10.765 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.843 13.378 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.517 12.860 -1.525 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.397 10.754 -3.459 1.00 0.00 N ATOM 1070 CA CYS A 70 -8.028 10.139 -4.621 1.00 0.00 C ATOM 1071 C CYS A 70 -7.654 8.664 -4.725 1.00 0.00 C ATOM 1072 O CYS A 70 -8.444 7.844 -5.193 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.618 10.874 -5.898 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.705 12.248 -6.341 1.00 0.00 S ATOM 0 H CYS A 70 -6.575 11.318 -3.675 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.109 10.213 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.603 11.253 -5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.596 10.162 -6.723 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.275 12.807 -7.433 1.00 0.00 H new ATOM 1080 N MET A 71 -6.445 8.333 -4.284 1.00 0.00 N ATOM 1081 CA MET A 71 -5.966 6.957 -4.327 1.00 0.00 C ATOM 1082 C MET A 71 -6.852 6.042 -3.486 1.00 0.00 C ATOM 1083 O MET A 71 -6.946 4.843 -3.747 1.00 0.00 O ATOM 1084 CB MET A 71 -4.520 6.882 -3.830 1.00 0.00 C ATOM 1085 CG MET A 71 -3.505 7.416 -4.829 1.00 0.00 C ATOM 1086 SD MET A 71 -3.530 6.517 -6.391 1.00 0.00 S ATOM 1087 CE MET A 71 -3.541 4.823 -5.808 1.00 0.00 C ATOM 0 H MET A 71 -5.779 8.999 -3.893 1.00 0.00 H new ATOM 0 HA MET A 71 -6.007 6.619 -5.362 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.434 7.445 -2.901 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.278 5.845 -3.597 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.707 8.470 -5.018 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.507 7.355 -4.395 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.325 4.151 -6.639 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.783 4.699 -5.035 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.522 4.586 -5.396 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.499 6.615 -2.475 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.376 5.850 -1.596 1.00 0.00 C ATOM 1099 C TYR A 72 -9.463 5.135 -2.394 1.00 0.00 C ATOM 1100 O TYR A 72 -9.921 4.059 -2.012 1.00 0.00 O ATOM 1101 CB TYR A 72 -9.016 6.769 -0.554 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.211 6.894 0.720 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.915 5.776 1.489 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.747 8.130 1.153 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.180 5.886 2.655 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -7.011 8.249 2.316 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.730 7.124 3.063 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.997 7.238 4.222 1.00 0.00 O ATOM 0 H TYR A 72 -7.432 7.606 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.771 5.099 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.149 7.760 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.009 6.392 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.265 4.805 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.965 9.013 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.960 5.007 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.658 9.217 2.638 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.902 6.355 4.637 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.869 5.740 -3.506 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.901 5.161 -4.358 1.00 0.00 C ATOM 1120 C LYS A 73 -10.464 3.801 -4.892 1.00 0.00 C ATOM 1121 O LYS A 73 -11.290 2.916 -5.115 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.217 6.101 -5.523 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.565 7.515 -5.086 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.070 7.709 -4.978 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.689 8.022 -6.331 1.00 0.00 C ATOM 1126 NZ LYS A 73 -13.413 9.421 -6.758 1.00 0.00 N ATOM 0 H LYS A 73 -9.499 6.631 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.800 5.024 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.358 6.138 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.050 5.691 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.100 7.724 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.155 8.229 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.526 6.808 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.285 8.520 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.298 7.331 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.766 7.863 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.987 9.648 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.654 10.074 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.405 9.520 -6.993 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.160 3.641 -5.093 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.613 2.387 -5.599 1.00 0.00 C ATOM 1142 C ASP A 74 -8.736 1.276 -4.560 1.00 0.00 C ATOM 1143 O ASP A 74 -8.767 0.094 -4.903 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.145 2.572 -5.996 1.00 0.00 C ATOM 1145 CG ASP A 74 -6.951 2.586 -7.499 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.038 3.677 -8.100 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.712 1.504 -8.076 1.00 0.00 O ATOM 0 H ASP A 74 -8.463 4.363 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.188 2.098 -6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.773 3.506 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.550 1.768 -5.563 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.809 1.661 -3.289 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.930 0.695 -2.203 1.00 0.00 C ATOM 1154 C VAL A 75 -10.143 -0.208 -2.401 1.00 0.00 C ATOM 1155 O VAL A 75 -11.173 0.224 -2.916 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.044 1.398 -0.835 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.011 0.379 0.294 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.936 2.428 -0.667 1.00 0.00 C ATOM 0 H VAL A 75 -8.786 2.635 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.024 0.089 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.000 1.919 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.093 0.894 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.845 -0.314 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.072 -0.174 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.034 2.913 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.967 1.933 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.013 3.177 -1.455 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.013 -1.464 -1.988 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.098 -2.429 -2.120 1.00 0.00 C ATOM 1170 C GLN A 76 -11.819 -2.623 -0.790 1.00 0.00 C ATOM 1171 O GLN A 76 -11.302 -2.259 0.266 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.558 -3.770 -2.621 1.00 0.00 C ATOM 1173 CG GLN A 76 -9.871 -3.682 -3.973 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.308 -5.014 -4.430 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.136 -6.052 -4.389 1.00 0.00 O flip ATOM 1176 NE2 GLN A 76 -8.143 -5.110 -4.815 1.00 0.00 N flip ATOM 0 H GLN A 76 -9.167 -1.838 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.811 -2.038 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.853 -4.164 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.381 -4.482 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.582 -3.319 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.065 -2.950 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.541 -4.286 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.779 -6.013 -5.119 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.016 -3.198 -0.849 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.808 -3.440 0.351 1.00 0.00 C ATOM 1187 C LYS A 77 -13.878 -4.931 0.665 1.00 0.00 C ATOM 1188 O LYS A 77 -14.885 -5.421 1.176 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.221 -2.878 0.177 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.318 -1.385 0.448 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.699 -0.848 0.111 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.684 0.664 -0.046 1.00 0.00 C ATOM 1193 NZ LYS A 77 -16.490 1.356 1.258 1.00 0.00 N ATOM 0 H LYS A 77 -13.459 -3.505 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.322 -2.933 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.560 -3.077 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.898 -3.406 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.096 -1.189 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.567 -0.857 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.054 -1.307 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.401 -1.127 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.886 0.950 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.622 0.992 -0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.486 2.385 1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.265 1.104 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.583 1.063 1.675 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.802 -5.647 0.355 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.742 -7.083 0.604 1.00 0.00 C ATOM 1209 C ASP A 78 -11.300 -7.578 0.588 1.00 0.00 C ATOM 1210 O ASP A 78 -11.020 -8.689 0.137 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.565 -7.839 -0.441 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.325 -9.007 0.156 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -13.846 -9.576 1.160 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.398 -9.354 -0.380 1.00 0.00 O ATOM 0 H ASP A 78 -11.960 -5.257 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.161 -7.272 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.270 -7.153 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.903 -8.203 -1.227 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.388 -6.747 1.081 1.00 0.00 N ATOM 1220 CA TRP A 79 -8.974 -7.101 1.123 1.00 0.00 C ATOM 1221 C TRP A 79 -8.716 -8.192 2.163 1.00 0.00 C ATOM 1222 O TRP A 79 -8.982 -8.001 3.350 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.128 -5.868 1.444 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.654 -6.110 1.323 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.742 -6.138 2.338 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.922 -6.361 0.118 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.487 -6.389 1.838 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.572 -6.530 0.477 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.277 -6.458 -1.231 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.577 -6.792 -0.462 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.290 -6.717 -2.162 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.954 -6.882 -1.774 1.00 0.00 C ATOM 0 H TRP A 79 -10.603 -5.824 1.457 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.692 -7.483 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.412 -5.057 0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.352 -5.536 2.458 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.973 -5.985 3.382 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.632 -6.459 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.304 -6.333 -1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.546 -6.919 -0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.553 -6.794 -3.207 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.206 -7.084 -2.526 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.195 -9.356 1.734 1.00 0.00 N ATOM 1244 CA PRO A 80 -7.906 -10.472 2.642 1.00 0.00 C ATOM 1245 C PRO A 80 -7.059 -10.045 3.836 1.00 0.00 C ATOM 1246 O PRO A 80 -7.112 -10.662 4.900 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.132 -11.457 1.763 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.579 -11.158 0.375 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.844 -9.679 0.336 1.00 0.00 C ATOM 0 HA PRO A 80 -8.816 -10.890 3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.056 -11.322 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.352 -12.489 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.814 -11.437 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.477 -11.722 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.968 -9.123 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.656 -9.434 -0.349 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.276 -8.987 3.652 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.428 -8.495 4.722 1.00 0.00 C ATOM 1259 C GLY A 81 -6.212 -8.137 5.970 1.00 0.00 C ATOM 1260 O GLY A 81 -5.827 -8.503 7.080 1.00 0.00 O ATOM 0 H GLY A 81 -6.214 -8.461 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.685 -9.253 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.884 -7.617 4.375 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.315 -7.418 5.787 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.154 -7.009 6.907 1.00 0.00 C ATOM 1266 C TYR A 82 -8.862 -8.211 7.524 1.00 0.00 C ATOM 1267 O TYR A 82 -8.671 -9.347 7.087 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.185 -5.976 6.448 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.583 -4.823 5.676 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.436 -4.183 6.126 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.165 -4.375 4.496 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.883 -3.130 5.423 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.618 -3.322 3.787 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.478 -2.703 4.254 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.931 -1.655 3.552 1.00 0.00 O ATOM 0 H TYR A 82 -7.648 -7.107 4.874 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.512 -6.560 7.665 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.930 -6.470 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.708 -5.585 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.968 -4.514 7.041 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.058 -4.857 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.990 -2.644 5.787 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.082 -2.986 2.871 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.020 -1.488 3.871 1.00 0.00 H new ATOM 1285 N SER A 83 -9.678 -7.955 8.540 1.00 0.00 N ATOM 1286 CA SER A 83 -10.413 -9.018 9.216 1.00 0.00 C ATOM 1287 C SER A 83 -11.618 -8.456 9.964 1.00 0.00 C ATOM 1288 O SER A 83 -12.733 -8.962 9.835 1.00 0.00 O ATOM 1289 CB SER A 83 -9.496 -9.763 10.188 1.00 0.00 C ATOM 1290 OG SER A 83 -9.881 -11.120 10.315 1.00 0.00 O ATOM 0 H SER A 83 -9.847 -7.021 8.914 1.00 0.00 H new ATOM 0 HA SER A 83 -10.771 -9.716 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.466 -9.706 9.837 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.527 -9.280 11.165 1.00 0.00 H new ATOM 0 HG SER A 83 -9.278 -11.574 10.940 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.386 -7.409 10.748 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.453 -6.779 11.517 1.00 0.00 C ATOM 1298 C GLU A 84 -12.027 -5.398 12.008 1.00 0.00 C ATOM 1299 O GLU A 84 -12.599 -4.384 11.609 1.00 0.00 O ATOM 1300 CB GLU A 84 -12.840 -7.659 12.707 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.278 -7.472 13.159 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.525 -8.013 14.554 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.554 -8.115 15.331 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.691 -8.333 14.869 1.00 0.00 O ATOM 0 H GLU A 84 -10.469 -6.979 10.868 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.318 -6.662 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.685 -8.705 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.174 -7.440 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.528 -6.411 13.135 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.944 -7.972 12.456 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.023 -5.369 12.876 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.538 -4.108 13.407 1.00 0.00 C ATOM 1313 C GLY A 85 -10.039 -3.175 12.322 1.00 0.00 C ATOM 1314 O GLY A 85 -10.193 -1.957 12.421 1.00 0.00 O ATOM 0 H GLY A 85 -10.536 -6.196 13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.339 -3.619 13.962 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.732 -4.301 14.114 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.439 -3.747 11.283 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.915 -2.959 10.174 1.00 0.00 C ATOM 1320 C ASP A 86 -10.022 -2.602 9.188 1.00 0.00 C ATOM 1321 O ASP A 86 -9.985 -1.549 8.551 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.804 -3.727 9.456 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.577 -3.918 10.325 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -6.526 -4.922 11.067 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -5.666 -3.065 10.264 1.00 0.00 O ATOM 0 H ASP A 86 -9.304 -4.753 11.186 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.504 -2.035 10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.182 -4.702 9.146 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.523 -3.191 8.549 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.007 -3.486 9.068 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.126 -3.264 8.160 1.00 0.00 C ATOM 1332 C GLN A 87 -12.963 -2.071 8.610 1.00 0.00 C ATOM 1333 O GLN A 87 -13.264 -1.177 7.819 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.003 -4.516 8.081 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.249 -5.758 7.633 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.161 -6.953 7.436 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.288 -6.976 7.932 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.678 -7.953 6.710 1.00 0.00 N ATOM 0 H GLN A 87 -11.053 -4.362 9.588 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.721 -3.049 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.445 -4.702 9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.825 -4.331 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.728 -5.545 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.488 -6.004 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.738 -7.891 6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.246 -8.783 6.544 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.337 -2.064 9.885 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.139 -0.981 10.441 1.00 0.00 C ATOM 1349 C GLN A 88 -13.385 0.343 10.373 1.00 0.00 C ATOM 1350 O GLN A 88 -13.973 1.392 10.111 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.519 -1.291 11.890 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.306 -2.581 12.049 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.690 -2.499 11.435 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -16.929 -3.017 10.344 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -17.610 -1.845 12.133 1.00 0.00 N ATOM 0 H GLN A 88 -13.097 -2.797 10.553 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.048 -0.893 9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.611 -1.353 12.490 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -15.108 -0.464 12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -14.754 -3.398 11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.396 -2.819 13.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.368 -1.431 13.033 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -18.559 -1.756 11.769 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.079 0.288 10.611 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.243 1.482 10.577 1.00 0.00 C ATOM 1366 C LEU A 89 -11.186 2.066 9.170 1.00 0.00 C ATOM 1367 O LEU A 89 -11.428 3.257 8.971 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.829 1.154 11.065 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.826 2.305 10.970 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.232 3.444 11.891 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.424 1.818 11.308 1.00 0.00 C ATOM 0 H LEU A 89 -11.576 -0.572 10.830 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.686 2.225 11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.886 0.828 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.448 0.312 10.487 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.824 2.677 9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.507 4.254 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.218 3.810 11.604 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.263 3.086 12.920 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.723 2.649 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.412 1.420 12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.132 1.035 10.608 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.865 1.221 8.196 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.774 1.651 6.804 1.00 0.00 C ATOM 1385 C LEU A 90 -12.064 2.330 6.353 1.00 0.00 C ATOM 1386 O LEU A 90 -12.048 3.198 5.480 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.471 0.456 5.899 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.217 0.803 4.431 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.735 1.045 4.188 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.734 -0.305 3.525 1.00 0.00 C ATOM 0 H LEU A 90 -10.663 0.232 8.345 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.961 2.374 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.596 -0.064 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.307 -0.242 5.952 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.757 1.720 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.574 1.290 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.395 1.872 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.173 0.146 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.545 -0.042 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.222 -1.238 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.806 -0.430 3.679 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.182 1.928 6.952 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.479 2.498 6.610 1.00 0.00 C ATOM 1404 C LYS A 91 -14.539 3.977 6.976 1.00 0.00 C ATOM 1405 O LYS A 91 -14.827 4.825 6.131 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.598 1.736 7.323 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.199 0.615 6.491 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.508 -0.610 7.338 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.963 -1.029 7.206 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.323 -1.351 5.797 1.00 0.00 N ATOM 0 H LYS A 91 -13.214 1.210 7.676 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.616 2.405 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.207 1.319 8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.387 2.437 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.113 0.967 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.507 0.342 5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.862 -1.435 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.284 -0.396 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.149 -1.899 7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.606 -0.228 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.140 -1.994 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.565 -0.475 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.515 -1.809 5.328 1.00 0.00 H new ATOM 1424 N ARG A 92 -14.266 4.282 8.240 1.00 0.00 N ATOM 1425 CA ARG A 92 -14.290 5.659 8.719 1.00 0.00 C ATOM 1426 C ARG A 92 -13.188 6.485 8.064 1.00 0.00 C ATOM 1427 O ARG A 92 -13.371 7.670 7.781 1.00 0.00 O ATOM 1428 CB ARG A 92 -14.137 5.695 10.240 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.871 5.018 10.742 1.00 0.00 C ATOM 1430 CD ARG A 92 -12.554 5.418 12.174 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.367 4.256 13.040 1.00 0.00 N ATOM 1432 CZ ARG A 92 -13.365 3.498 13.490 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -14.620 3.778 13.161 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -13.107 2.460 14.273 1.00 0.00 N ATOM 0 H ARG A 92 -14.025 3.593 8.952 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.252 6.094 8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.140 6.733 10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.002 5.212 10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.988 3.936 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.035 5.284 10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.652 6.029 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.363 6.035 12.565 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.416 4.011 13.316 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.824 4.577 12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.381 3.194 13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.144 2.242 14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.871 1.879 14.618 1.00 0.00 H new ATOM 1448 N VAL A 93 -12.043 5.854 7.826 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.912 6.533 7.205 1.00 0.00 C ATOM 1450 C VAL A 93 -11.261 7.011 5.799 1.00 0.00 C ATOM 1451 O VAL A 93 -10.722 8.009 5.321 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.675 5.615 7.131 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.470 6.380 6.606 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.379 5.008 8.495 1.00 0.00 C ATOM 0 H VAL A 93 -11.874 4.874 8.054 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.679 7.394 7.831 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.889 4.803 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.608 5.715 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.687 6.760 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.250 7.214 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.503 4.363 8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.186 5.805 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.236 4.421 8.826 1.00 0.00 H new ATOM 1464 N LEU A 94 -12.165 6.294 5.141 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.583 6.647 3.789 1.00 0.00 C ATOM 1466 C LEU A 94 -13.641 7.746 3.814 1.00 0.00 C ATOM 1467 O LEU A 94 -13.624 8.655 2.984 1.00 0.00 O ATOM 1468 CB LEU A 94 -13.128 5.415 3.063 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.089 4.338 2.746 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.765 2.997 2.510 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.260 4.740 1.536 1.00 0.00 C ATOM 0 H LEU A 94 -12.622 5.465 5.521 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.711 7.021 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.915 4.971 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.591 5.737 2.130 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.422 4.239 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.010 2.243 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.315 2.705 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.455 3.080 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.526 3.963 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.914 4.867 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.746 5.679 1.743 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.560 7.656 4.769 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.625 8.642 4.900 1.00 0.00 C ATOM 1485 C VAL A 95 -15.059 10.030 5.182 1.00 0.00 C ATOM 1486 O VAL A 95 -15.486 11.019 4.584 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.608 8.264 6.025 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.814 9.191 6.014 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -17.038 6.811 5.893 1.00 0.00 C ATOM 0 H VAL A 95 -14.588 6.910 5.464 1.00 0.00 H new ATOM 0 HA VAL A 95 -16.159 8.656 3.950 1.00 0.00 H new ATOM 0 HB VAL A 95 -16.100 8.381 6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.497 8.909 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.484 10.219 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.326 9.110 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.732 6.563 6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.528 6.663 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.162 6.165 5.957 1.00 0.00 H new ATOM 1499 N ARG A 96 -14.094 10.097 6.094 1.00 0.00 N ATOM 1500 CA ARG A 96 -13.470 11.365 6.454 1.00 0.00 C ATOM 1501 C ARG A 96 -12.672 11.930 5.284 1.00 0.00 C ATOM 1502 O ARG A 96 -12.605 13.145 5.094 1.00 0.00 O ATOM 1503 CB ARG A 96 -12.559 11.179 7.669 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.731 12.258 8.728 1.00 0.00 C ATOM 1505 CD ARG A 96 -13.444 11.728 9.963 1.00 0.00 C ATOM 1506 NE ARG A 96 -12.641 11.895 11.173 1.00 0.00 N ATOM 1507 CZ ARG A 96 -11.566 11.163 11.455 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -11.161 10.214 10.619 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -10.892 11.380 12.576 1.00 0.00 N ATOM 0 H ARG A 96 -13.728 9.289 6.597 1.00 0.00 H new ATOM 0 HA ARG A 96 -14.259 12.074 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.759 10.206 8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.521 11.170 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.754 12.648 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.297 13.090 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.394 12.248 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.674 10.672 9.823 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.921 12.614 11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.675 10.043 9.755 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.336 9.657 10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.198 12.108 13.222 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.068 10.819 12.792 1.00 0.00 H new ATOM 1523 N LYS A 97 -12.068 11.042 4.503 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.273 11.452 3.351 1.00 0.00 C ATOM 1525 C LYS A 97 -12.169 11.765 2.156 1.00 0.00 C ATOM 1526 O LYS A 97 -12.266 12.914 1.724 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.272 10.357 2.979 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.256 10.064 4.072 1.00 0.00 C ATOM 1529 CD LYS A 97 -8.190 11.144 4.142 1.00 0.00 C ATOM 1530 CE LYS A 97 -7.022 10.718 5.017 1.00 0.00 C ATOM 1531 NZ LYS A 97 -5.886 11.678 4.937 1.00 0.00 N ATOM 0 H LYS A 97 -12.113 10.033 4.646 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.727 12.356 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.817 9.442 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.743 10.652 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.765 9.990 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.786 9.098 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.831 11.368 3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.626 12.062 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.355 10.636 6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.682 9.728 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.111 11.350 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.551 11.738 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.202 12.617 5.253 1.00 0.00 H new