USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 709 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 78 ASN :FLIP amide:sc= -8.03! C(o=-13!,f=-10!) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -2.15! C(o=-14!,f=-10!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.169 X(o=-0.56,f=-1) USER MOD Set 2.2: A 104 CYS SG : rot 42:sc= -0.391 USER MOD Single : A 9 TYR OH : rot 152:sc= 0.0151 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.0043) USER MOD Single : A 65 THR OG1 : rot -75:sc= 0.763 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 177:sc=-0.00506 (180deg=-0.0203) USER MOD Single : A 73 GLN : amide:sc= -5.32! C(o=-5.3!,f=-13!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.8) USER MOD Single : A 111 MET CE :methyl -153:sc= -0.58 (180deg=-2.17!) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.772 -14.158 3.569 1.00 0.00 N ATOM 84 CA TYR A 9 -8.333 -14.575 2.248 1.00 0.00 C ATOM 85 C TYR A 9 -7.796 -16.008 2.278 1.00 0.00 C ATOM 86 O TYR A 9 -7.352 -16.488 3.319 1.00 0.00 O ATOM 87 CB TYR A 9 -7.196 -13.626 1.863 1.00 0.00 C ATOM 88 CG TYR A 9 -7.643 -12.432 1.016 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.459 -12.629 -0.079 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.230 -11.158 1.349 1.00 0.00 C ATOM 91 CE1 TYR A 9 -8.879 -11.505 -0.875 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.650 -10.034 0.552 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.454 -10.264 -0.521 1.00 0.00 C ATOM 94 OH TYR A 9 -8.850 -9.202 -1.273 1.00 0.00 O ATOM 0 HA TYR A 9 -9.161 -14.545 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.721 -13.256 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.439 -14.186 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.783 -13.626 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.592 -11.004 2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.518 -11.645 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.334 -9.032 0.801 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.878 -8.398 -0.714 1.00 0.00 H new ATOM 104 N ILE A 10 -7.857 -16.651 1.120 1.00 0.00 N ATOM 105 CA ILE A 10 -7.383 -18.020 1.000 1.00 0.00 C ATOM 106 C ILE A 10 -5.903 -18.078 1.380 1.00 0.00 C ATOM 107 O ILE A 10 -5.433 -19.084 1.908 1.00 0.00 O ATOM 108 CB ILE A 10 -7.682 -18.569 -0.396 1.00 0.00 C ATOM 109 CG1 ILE A 10 -6.757 -17.942 -1.442 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.158 -18.385 -0.754 1.00 0.00 C ATOM 111 CD1 ILE A 10 -5.625 -18.900 -1.817 1.00 0.00 C ATOM 0 H ILE A 10 -8.227 -16.250 0.258 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.916 -18.670 1.694 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.483 -19.641 -0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.331 -17.685 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.339 -17.014 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.343 -18.784 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.777 -18.916 -0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.407 -17.324 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.982 -18.430 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.039 -19.136 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.046 -19.818 -2.228 1.00 0.00 H new ATOM 123 N PHE A 11 -5.208 -16.986 1.096 1.00 0.00 N ATOM 124 CA PHE A 11 -3.791 -16.900 1.401 1.00 0.00 C ATOM 125 C PHE A 11 -3.553 -16.103 2.686 1.00 0.00 C ATOM 126 O PHE A 11 -4.426 -15.357 3.128 1.00 0.00 O ATOM 127 CB PHE A 11 -3.125 -16.170 0.233 1.00 0.00 C ATOM 128 CG PHE A 11 -3.818 -14.863 -0.160 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.575 -13.726 0.545 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.675 -14.839 -1.216 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.218 -12.514 0.180 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.318 -13.626 -1.580 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.075 -12.489 -0.875 1.00 0.00 C ATOM 0 H PHE A 11 -5.601 -16.153 0.658 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.381 -17.900 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.089 -15.955 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.104 -16.833 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.893 -13.745 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.866 -15.742 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.026 -11.611 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.000 -13.607 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.563 -11.566 -1.153 1.00 0.00 H new ATOM 143 N PRO A 12 -2.338 -16.295 3.264 1.00 0.00 N ATOM 144 CA PRO A 12 -1.975 -15.603 4.490 1.00 0.00 C ATOM 145 C PRO A 12 -1.652 -14.133 4.214 1.00 0.00 C ATOM 146 O PRO A 12 -0.898 -13.821 3.295 1.00 0.00 O ATOM 147 CB PRO A 12 -0.791 -16.378 5.043 1.00 0.00 C ATOM 148 CG PRO A 12 -0.242 -17.188 3.880 1.00 0.00 C ATOM 149 CD PRO A 12 -1.281 -17.170 2.769 1.00 0.00 C ATOM 0 HA PRO A 12 -2.789 -15.575 5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.033 -15.702 5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.098 -17.029 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.699 -16.764 3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.034 -18.212 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.858 -16.793 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.659 -18.172 2.565 1.00 0.00 H new ATOM 157 N HIS A 13 -2.239 -13.269 5.029 1.00 0.00 N ATOM 158 CA HIS A 13 -2.023 -11.839 4.885 1.00 0.00 C ATOM 159 C HIS A 13 -1.826 -11.208 6.266 1.00 0.00 C ATOM 160 O HIS A 13 -2.072 -11.848 7.285 1.00 0.00 O ATOM 161 CB HIS A 13 -3.165 -11.193 4.098 1.00 0.00 C ATOM 162 CG HIS A 13 -4.192 -10.500 4.960 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.134 -9.149 5.255 1.00 0.00 N ATOM 164 CD2 HIS A 13 -5.303 -10.984 5.587 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.168 -8.845 6.026 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.891 -9.983 6.232 1.00 0.00 N ATOM 0 H HIS A 13 -2.864 -13.531 5.791 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.115 -11.662 4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.746 -10.470 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.662 -11.960 3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.646 -12.008 5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.398 -7.867 6.422 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.742 -10.054 6.789 1.00 0.00 H new ATOM 174 N ALA A 14 -1.381 -9.960 6.252 1.00 0.00 N ATOM 175 CA ALA A 14 -1.146 -9.235 7.489 1.00 0.00 C ATOM 176 C ALA A 14 -1.567 -7.776 7.308 1.00 0.00 C ATOM 177 O ALA A 14 -1.155 -7.121 6.353 1.00 0.00 O ATOM 178 CB ALA A 14 0.324 -9.373 7.891 1.00 0.00 C ATOM 0 H ALA A 14 -1.177 -9.432 5.403 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.745 -9.653 8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.500 -8.829 8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.564 -10.426 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.957 -8.962 7.104 1.00 0.00 H new ATOM 184 N ARG A 15 -2.384 -7.309 8.242 1.00 0.00 N ATOM 185 CA ARG A 15 -2.865 -5.938 8.197 1.00 0.00 C ATOM 186 C ARG A 15 -2.122 -5.081 9.223 1.00 0.00 C ATOM 187 O ARG A 15 -2.530 -5.000 10.380 1.00 0.00 O ATOM 188 CB ARG A 15 -4.368 -5.873 8.480 1.00 0.00 C ATOM 189 CG ARG A 15 -5.120 -5.242 7.307 1.00 0.00 C ATOM 190 CD ARG A 15 -6.594 -5.027 7.653 1.00 0.00 C ATOM 191 NE ARG A 15 -7.259 -4.254 6.579 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.401 -3.573 6.742 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.013 -3.563 7.934 1.00 0.00 N ATOM 194 NH2 ARG A 15 -8.932 -2.900 5.711 1.00 0.00 N ATOM 0 H ARG A 15 -2.725 -7.855 9.033 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.678 -5.553 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.751 -6.877 8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.546 -5.293 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.661 -4.288 7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.039 -5.885 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.090 -5.989 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.680 -4.496 8.601 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.820 -4.239 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.609 -4.074 8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.882 -3.044 8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.466 -2.907 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.802 -2.381 5.834 1.00 0.00 H new ATOM 208 N ILE A 16 -1.044 -4.463 8.761 1.00 0.00 N ATOM 209 CA ILE A 16 -0.241 -3.615 9.625 1.00 0.00 C ATOM 210 C ILE A 16 -0.602 -2.150 9.372 1.00 0.00 C ATOM 211 O ILE A 16 -0.841 -1.754 8.232 1.00 0.00 O ATOM 212 CB ILE A 16 1.247 -3.923 9.443 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.661 -5.140 10.272 1.00 0.00 C ATOM 214 CG2 ILE A 16 2.104 -2.695 9.760 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.546 -6.426 9.451 1.00 0.00 C ATOM 0 H ILE A 16 -0.709 -4.533 7.800 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.460 -3.821 10.673 1.00 0.00 H new ATOM 0 HB ILE A 16 1.418 -4.174 8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.687 -5.016 10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.031 -5.212 11.158 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.157 -2.941 9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.832 -1.879 9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.934 -2.390 10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.846 -7.277 10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.514 -6.559 9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.196 -6.360 8.578 1.00 0.00 H new ATOM 227 N LYS A 17 -0.629 -1.386 10.454 1.00 0.00 N ATOM 228 CA LYS A 17 -0.957 0.026 10.364 1.00 0.00 C ATOM 229 C LYS A 17 0.330 0.851 10.447 1.00 0.00 C ATOM 230 O LYS A 17 1.334 0.388 10.987 1.00 0.00 O ATOM 231 CB LYS A 17 -1.998 0.404 11.420 1.00 0.00 C ATOM 232 CG LYS A 17 -1.399 0.346 12.827 1.00 0.00 C ATOM 233 CD LYS A 17 -2.163 1.260 13.787 1.00 0.00 C ATOM 234 CE LYS A 17 -2.466 0.541 15.103 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.885 0.724 15.479 1.00 0.00 N ATOM 0 H LYS A 17 -0.429 -1.718 11.397 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.418 0.248 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.374 1.408 11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.849 -0.274 11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.427 -0.679 13.196 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.351 0.644 12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.576 2.157 13.985 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.094 1.584 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.244 -0.522 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.822 0.928 15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.073 0.230 16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.086 1.738 15.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.495 0.333 14.733 1.00 0.00 H new ATOM 249 N ILE A 18 0.258 2.057 9.906 1.00 0.00 N ATOM 250 CA ILE A 18 1.404 2.950 9.912 1.00 0.00 C ATOM 251 C ILE A 18 0.991 4.300 10.502 1.00 0.00 C ATOM 252 O ILE A 18 0.110 4.972 9.968 1.00 0.00 O ATOM 253 CB ILE A 18 2.013 3.052 8.512 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.211 1.664 7.899 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.312 3.858 8.535 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.916 1.680 6.397 1.00 0.00 C ATOM 0 H ILE A 18 -0.577 2.438 9.460 1.00 0.00 H new ATOM 0 HA ILE A 18 2.193 2.551 10.549 1.00 0.00 H new ATOM 0 HB ILE A 18 1.312 3.590 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.235 1.330 8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.556 0.947 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.723 3.914 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.109 4.864 8.901 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.031 3.370 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.064 0.681 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.884 1.991 6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.589 2.380 5.901 1.00 0.00 H new ATOM 268 N THR A 19 1.648 4.657 11.596 1.00 0.00 N ATOM 269 CA THR A 19 1.359 5.915 12.265 1.00 0.00 C ATOM 270 C THR A 19 2.255 7.027 11.716 1.00 0.00 C ATOM 271 O THR A 19 3.335 6.759 11.194 1.00 0.00 O ATOM 272 CB THR A 19 1.515 5.696 13.771 1.00 0.00 C ATOM 273 OG1 THR A 19 2.311 4.519 13.870 1.00 0.00 O ATOM 274 CG2 THR A 19 0.196 5.312 14.445 1.00 0.00 C ATOM 0 H THR A 19 2.379 4.098 12.036 1.00 0.00 H new ATOM 0 HA THR A 19 0.336 6.240 12.074 1.00 0.00 H new ATOM 0 HB THR A 19 1.908 6.602 14.231 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.463 4.305 14.814 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.361 5.168 15.513 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.534 6.107 14.295 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.180 4.387 14.008 1.00 0.00 H new ATOM 449 N LEU A 32 3.803 8.030 3.840 1.00 0.00 N ATOM 450 CA LEU A 32 4.394 7.366 4.990 1.00 0.00 C ATOM 451 C LEU A 32 5.710 6.708 4.572 1.00 0.00 C ATOM 452 O LEU A 32 5.929 5.527 4.836 1.00 0.00 O ATOM 453 CB LEU A 32 3.393 6.395 5.620 1.00 0.00 C ATOM 454 CG LEU A 32 2.028 6.983 5.987 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.990 5.876 6.180 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.134 7.891 7.213 1.00 0.00 C ATOM 0 HA LEU A 32 4.633 8.091 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.236 5.567 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.841 5.977 6.522 1.00 0.00 H new ATOM 0 HG LEU A 32 1.688 7.603 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.029 6.320 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.889 5.307 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.312 5.211 6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.151 8.296 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.506 7.316 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.821 8.710 7.001 1.00 0.00 H new ATOM 468 N GLY A 33 6.553 7.502 3.929 1.00 0.00 N ATOM 469 CA GLY A 33 7.843 7.011 3.472 1.00 0.00 C ATOM 470 C GLY A 33 7.728 5.581 2.939 1.00 0.00 C ATOM 471 O GLY A 33 8.256 4.647 3.539 1.00 0.00 O ATOM 0 H GLY A 33 6.369 8.482 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.228 7.665 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.559 7.040 4.293 1.00 0.00 H new ATOM 475 N ILE A 34 7.034 5.456 1.818 1.00 0.00 N ATOM 476 CA ILE A 34 6.842 4.156 1.197 1.00 0.00 C ATOM 477 C ILE A 34 6.589 4.344 -0.300 1.00 0.00 C ATOM 478 O ILE A 34 5.897 5.276 -0.705 1.00 0.00 O ATOM 479 CB ILE A 34 5.739 3.377 1.915 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.598 1.968 1.335 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.416 4.145 1.883 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.945 1.023 2.347 1.00 0.00 C ATOM 0 H ILE A 34 6.597 6.234 1.323 1.00 0.00 H new ATOM 0 HA ILE A 34 7.743 3.550 1.295 1.00 0.00 H new ATOM 0 HB ILE A 34 6.023 3.268 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.999 2.003 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.580 1.586 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.648 3.569 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.542 5.108 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.113 4.306 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.856 0.028 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.559 0.972 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.954 1.396 2.606 1.00 0.00 H new ATOM 494 N ARG A 35 7.164 3.441 -1.083 1.00 0.00 N ATOM 495 CA ARG A 35 7.009 3.495 -2.526 1.00 0.00 C ATOM 496 C ARG A 35 6.238 2.271 -3.023 1.00 0.00 C ATOM 497 O ARG A 35 6.785 1.170 -3.084 1.00 0.00 O ATOM 498 CB ARG A 35 8.369 3.551 -3.224 1.00 0.00 C ATOM 499 CG ARG A 35 9.083 4.872 -2.932 1.00 0.00 C ATOM 500 CD ARG A 35 9.365 5.641 -4.225 1.00 0.00 C ATOM 501 NE ARG A 35 10.336 6.727 -3.966 1.00 0.00 N ATOM 502 CZ ARG A 35 10.038 7.864 -3.321 1.00 0.00 C ATOM 503 NH1 ARG A 35 8.795 8.069 -2.866 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.983 8.794 -3.131 1.00 0.00 N ATOM 0 H ARG A 35 7.738 2.669 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 35 6.453 4.401 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.987 2.718 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.234 3.437 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.470 5.482 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.019 4.676 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.758 4.963 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.438 6.057 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 35 11.292 6.603 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.076 7.360 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.568 8.934 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.930 8.637 -3.477 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.756 9.659 -2.640 1.00 0.00 H new ATOM 518 N ILE A 36 4.980 2.503 -3.367 1.00 0.00 N ATOM 519 CA ILE A 36 4.128 1.432 -3.857 1.00 0.00 C ATOM 520 C ILE A 36 3.784 1.691 -5.325 1.00 0.00 C ATOM 521 O ILE A 36 3.137 2.685 -5.649 1.00 0.00 O ATOM 522 CB ILE A 36 2.901 1.270 -2.958 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.293 0.711 -1.589 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.830 0.417 -3.640 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.152 0.871 -0.584 1.00 0.00 C ATOM 0 H ILE A 36 4.530 3.417 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 36 4.654 0.478 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 36 2.469 2.256 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.554 -0.343 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.180 1.227 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.969 0.318 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.521 0.895 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.236 -0.571 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.457 0.465 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.910 1.928 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.274 0.334 -0.942 1.00 0.00 H new ATOM 537 N VAL A 37 4.236 0.779 -6.175 1.00 0.00 N ATOM 538 CA VAL A 37 3.985 0.897 -7.601 1.00 0.00 C ATOM 539 C VAL A 37 2.724 0.108 -7.959 1.00 0.00 C ATOM 540 O VAL A 37 2.645 -1.093 -7.702 1.00 0.00 O ATOM 541 CB VAL A 37 5.217 0.445 -8.388 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.897 0.311 -9.878 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.392 1.399 -8.163 1.00 0.00 C ATOM 0 H VAL A 37 4.774 -0.044 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 37 3.806 1.937 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 37 5.508 -0.538 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.790 -0.011 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.105 -0.426 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.568 1.274 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.255 1.055 -8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.116 2.401 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.644 1.422 -7.103 1.00 0.00 H new ATOM 553 N GLY A 38 1.769 0.814 -8.547 1.00 0.00 N ATOM 554 CA GLY A 38 0.516 0.195 -8.942 1.00 0.00 C ATOM 555 C GLY A 38 0.499 -0.098 -10.444 1.00 0.00 C ATOM 556 O GLY A 38 1.415 0.292 -11.167 1.00 0.00 O ATOM 0 H GLY A 38 1.838 1.809 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.372 -0.731 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.315 0.852 -8.687 1.00 0.00 H new ATOM 560 N GLY A 39 -0.552 -0.782 -10.869 1.00 0.00 N ATOM 561 CA GLY A 39 -0.701 -1.132 -12.272 1.00 0.00 C ATOM 562 C GLY A 39 0.395 -2.104 -12.714 1.00 0.00 C ATOM 563 O GLY A 39 0.803 -2.100 -13.874 1.00 0.00 O ATOM 0 H GLY A 39 -1.310 -1.104 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.680 -1.583 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.659 -0.230 -12.882 1.00 0.00 H new ATOM 567 N LYS A 40 0.841 -2.914 -11.764 1.00 0.00 N ATOM 568 CA LYS A 40 1.881 -3.890 -12.041 1.00 0.00 C ATOM 569 C LYS A 40 1.251 -5.278 -12.171 1.00 0.00 C ATOM 570 O LYS A 40 0.368 -5.638 -11.394 1.00 0.00 O ATOM 571 CB LYS A 40 2.984 -3.812 -10.983 1.00 0.00 C ATOM 572 CG LYS A 40 4.359 -4.062 -11.606 1.00 0.00 C ATOM 573 CD LYS A 40 5.071 -5.225 -10.912 1.00 0.00 C ATOM 574 CE LYS A 40 6.582 -5.157 -11.138 1.00 0.00 C ATOM 575 NZ LYS A 40 7.041 -6.315 -11.936 1.00 0.00 N ATOM 0 H LYS A 40 0.501 -2.914 -10.802 1.00 0.00 H new ATOM 0 HA LYS A 40 2.366 -3.670 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.969 -2.831 -10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.796 -4.548 -10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.247 -4.281 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.967 -3.160 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.858 -5.200 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.685 -6.171 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.837 -4.230 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.099 -5.142 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.069 -6.252 -12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.815 -7.196 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.562 -6.312 -12.859 1.00 0.00 H new ATOM 589 N GLU A 41 1.729 -6.019 -13.158 1.00 0.00 N ATOM 590 CA GLU A 41 1.224 -7.361 -13.400 1.00 0.00 C ATOM 591 C GLU A 41 1.564 -8.276 -12.223 1.00 0.00 C ATOM 592 O GLU A 41 2.667 -8.215 -11.683 1.00 0.00 O ATOM 593 CB GLU A 41 1.774 -7.926 -14.711 1.00 0.00 C ATOM 594 CG GLU A 41 0.689 -8.686 -15.478 1.00 0.00 C ATOM 595 CD GLU A 41 0.670 -8.275 -16.951 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.563 -8.750 -17.686 1.00 0.00 O ATOM 597 OE2 GLU A 41 -0.239 -7.495 -17.311 1.00 0.00 O ATOM 0 H GLU A 41 2.461 -5.717 -13.801 1.00 0.00 H new ATOM 0 HA GLU A 41 0.139 -7.309 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.160 -7.114 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.611 -8.592 -14.501 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.866 -9.759 -15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.285 -8.489 -15.029 1.00 0.00 H new ATOM 604 N ILE A 42 0.596 -9.105 -11.859 1.00 0.00 N ATOM 605 CA ILE A 42 0.779 -10.032 -10.756 1.00 0.00 C ATOM 606 C ILE A 42 0.915 -11.453 -11.307 1.00 0.00 C ATOM 607 O ILE A 42 0.213 -11.829 -12.244 1.00 0.00 O ATOM 608 CB ILE A 42 -0.347 -9.875 -9.732 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.606 -8.399 -9.423 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.053 -10.682 -8.466 1.00 0.00 C ATOM 611 CD1 ILE A 42 -1.972 -8.209 -8.760 1.00 0.00 C ATOM 0 H ILE A 42 -0.318 -9.153 -12.309 1.00 0.00 H new ATOM 0 HA ILE A 42 1.701 -9.808 -10.219 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.262 -10.278 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.177 -8.018 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.561 -7.818 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.869 -10.553 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.042 -11.737 -8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.877 -10.331 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.131 -7.151 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.754 -8.568 -9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.005 -8.772 -7.827 1.00 0.00 H new ATOM 623 N PRO A 43 1.849 -12.223 -10.685 1.00 0.00 N ATOM 624 CA PRO A 43 2.086 -13.594 -11.103 1.00 0.00 C ATOM 625 C PRO A 43 0.959 -14.515 -10.629 1.00 0.00 C ATOM 626 O PRO A 43 0.144 -14.966 -11.431 1.00 0.00 O ATOM 627 CB PRO A 43 3.438 -13.957 -10.512 1.00 0.00 C ATOM 628 CG PRO A 43 3.694 -12.947 -9.405 1.00 0.00 C ATOM 629 CD PRO A 43 2.698 -11.810 -9.572 1.00 0.00 C ATOM 0 HA PRO A 43 2.097 -13.707 -12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.432 -14.974 -10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.220 -13.912 -11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.579 -13.415 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.716 -12.571 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.115 -11.658 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.204 -10.869 -9.787 1.00 0.00 H new ATOM 637 N GLY A 44 0.952 -14.766 -9.328 1.00 0.00 N ATOM 638 CA GLY A 44 -0.060 -15.625 -8.738 1.00 0.00 C ATOM 639 C GLY A 44 -1.441 -15.329 -9.326 1.00 0.00 C ATOM 640 O GLY A 44 -2.142 -16.240 -9.765 1.00 0.00 O ATOM 0 H GLY A 44 1.631 -14.390 -8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.197 -16.670 -8.913 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.082 -15.479 -7.658 1.00 0.00 H new ATOM 644 N HIS A 45 -1.792 -14.050 -9.315 1.00 0.00 N ATOM 645 CA HIS A 45 -3.077 -13.623 -9.842 1.00 0.00 C ATOM 646 C HIS A 45 -3.147 -13.934 -11.338 1.00 0.00 C ATOM 647 O HIS A 45 -2.173 -13.735 -12.063 1.00 0.00 O ATOM 648 CB HIS A 45 -3.327 -12.147 -9.529 1.00 0.00 C ATOM 649 CG HIS A 45 -4.365 -11.913 -8.458 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.537 -11.214 -8.690 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.396 -12.293 -7.149 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.234 -11.179 -7.563 1.00 0.00 C ATOM 653 NE2 HIS A 45 -5.525 -11.849 -6.609 1.00 0.00 N ATOM 0 H HIS A 45 -1.209 -13.297 -8.950 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.878 -14.178 -9.355 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.389 -11.688 -9.217 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.641 -11.641 -10.442 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.632 -12.859 -6.638 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.194 -10.704 -7.424 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.814 -11.986 -5.641 1.00 0.00 H new ATOM 661 N SER A 46 -4.309 -14.414 -11.757 1.00 0.00 N ATOM 662 CA SER A 46 -4.519 -14.754 -13.153 1.00 0.00 C ATOM 663 C SER A 46 -4.421 -13.495 -14.018 1.00 0.00 C ATOM 664 O SER A 46 -5.433 -12.865 -14.320 1.00 0.00 O ATOM 665 CB SER A 46 -5.874 -15.433 -13.358 1.00 0.00 C ATOM 666 OG SER A 46 -5.869 -16.783 -12.899 1.00 0.00 O ATOM 0 H SER A 46 -5.115 -14.575 -11.153 1.00 0.00 H new ATOM 0 HA SER A 46 -3.742 -15.457 -13.454 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.644 -14.873 -12.828 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.134 -15.411 -14.416 1.00 0.00 H new ATOM 0 HG SER A 46 -6.752 -17.182 -13.046 1.00 0.00 H new ATOM 672 N GLY A 47 -3.193 -13.167 -14.392 1.00 0.00 N ATOM 673 CA GLY A 47 -2.950 -11.994 -15.215 1.00 0.00 C ATOM 674 C GLY A 47 -3.818 -10.818 -14.766 1.00 0.00 C ATOM 675 O GLY A 47 -4.792 -10.470 -15.432 1.00 0.00 O ATOM 0 H GLY A 47 -2.356 -13.693 -14.140 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.898 -11.716 -15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.161 -12.228 -16.259 1.00 0.00 H new ATOM 679 N GLU A 48 -3.434 -10.237 -13.638 1.00 0.00 N ATOM 680 CA GLU A 48 -4.165 -9.107 -13.091 1.00 0.00 C ATOM 681 C GLU A 48 -3.193 -8.062 -12.541 1.00 0.00 C ATOM 682 O GLU A 48 -2.200 -8.408 -11.902 1.00 0.00 O ATOM 683 CB GLU A 48 -5.150 -9.562 -12.012 1.00 0.00 C ATOM 684 CG GLU A 48 -6.001 -8.391 -11.518 1.00 0.00 C ATOM 685 CD GLU A 48 -7.472 -8.588 -11.884 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.954 -9.728 -11.705 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.084 -7.596 -12.336 1.00 0.00 O ATOM 0 H GLU A 48 -2.626 -10.528 -13.088 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.743 -8.650 -13.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.797 -10.343 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.603 -9.997 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.902 -8.296 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.635 -7.462 -11.955 1.00 0.00 H new ATOM 694 N ILE A 49 -3.512 -6.804 -12.809 1.00 0.00 N ATOM 695 CA ILE A 49 -2.679 -5.706 -12.348 1.00 0.00 C ATOM 696 C ILE A 49 -2.979 -5.428 -10.874 1.00 0.00 C ATOM 697 O ILE A 49 -4.053 -5.769 -10.380 1.00 0.00 O ATOM 698 CB ILE A 49 -2.854 -4.486 -13.254 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.336 -4.187 -13.492 1.00 0.00 C ATOM 700 CG2 ILE A 49 -2.085 -4.660 -14.565 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.546 -2.720 -13.869 1.00 0.00 C ATOM 0 H ILE A 49 -4.336 -6.521 -13.340 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.624 -5.973 -12.413 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.429 -3.620 -12.746 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.717 -4.828 -14.287 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.907 -4.420 -12.593 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.227 -3.778 -15.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.024 -4.786 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.456 -5.540 -15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.608 -2.535 -14.033 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.186 -2.082 -13.062 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.994 -2.496 -14.782 1.00 0.00 H new ATOM 713 N GLY A 50 -2.011 -4.810 -10.213 1.00 0.00 N ATOM 714 CA GLY A 50 -2.159 -4.482 -8.805 1.00 0.00 C ATOM 715 C GLY A 50 -1.066 -3.511 -8.351 1.00 0.00 C ATOM 716 O GLY A 50 -0.553 -2.731 -9.151 1.00 0.00 O ATOM 0 H GLY A 50 -1.122 -4.528 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.139 -4.038 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.112 -5.393 -8.209 1.00 0.00 H new ATOM 720 N ALA A 51 -0.743 -3.593 -7.069 1.00 0.00 N ATOM 721 CA ALA A 51 0.280 -2.732 -6.499 1.00 0.00 C ATOM 722 C ALA A 51 1.174 -3.556 -5.571 1.00 0.00 C ATOM 723 O ALA A 51 0.718 -4.518 -4.955 1.00 0.00 O ATOM 724 CB ALA A 51 -0.385 -1.558 -5.776 1.00 0.00 C ATOM 0 H ALA A 51 -1.171 -4.242 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 51 0.912 -2.316 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.382 -0.912 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.986 -0.988 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.025 -1.937 -4.980 1.00 0.00 H new ATOM 730 N TYR A 52 2.433 -3.150 -5.500 1.00 0.00 N ATOM 731 CA TYR A 52 3.396 -3.838 -4.657 1.00 0.00 C ATOM 732 C TYR A 52 4.486 -2.879 -4.173 1.00 0.00 C ATOM 733 O TYR A 52 4.846 -1.936 -4.877 1.00 0.00 O ATOM 734 CB TYR A 52 4.034 -4.913 -5.539 1.00 0.00 C ATOM 735 CG TYR A 52 5.104 -4.381 -6.493 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.735 -3.828 -7.703 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.438 -4.454 -6.146 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.742 -3.327 -8.602 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.445 -3.953 -7.045 1.00 0.00 C ATOM 740 CZ TYR A 52 7.047 -3.414 -8.229 1.00 0.00 C ATOM 741 OH TYR A 52 7.998 -2.941 -9.078 1.00 0.00 O ATOM 0 H TYR A 52 2.809 -2.353 -6.013 1.00 0.00 H new ATOM 0 HA TYR A 52 2.907 -4.255 -3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.479 -5.676 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.253 -5.401 -6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.691 -3.771 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.727 -4.887 -5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.467 -2.892 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.492 -4.004 -6.785 1.00 0.00 H new ATOM 0 HH TYR A 52 8.884 -3.068 -8.680 1.00 0.00 H new ATOM 751 N ILE A 53 4.980 -3.153 -2.975 1.00 0.00 N ATOM 752 CA ILE A 53 6.022 -2.326 -2.388 1.00 0.00 C ATOM 753 C ILE A 53 7.265 -2.370 -3.279 1.00 0.00 C ATOM 754 O ILE A 53 7.962 -3.383 -3.327 1.00 0.00 O ATOM 755 CB ILE A 53 6.288 -2.745 -0.941 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.023 -2.612 -0.091 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.461 -1.961 -0.350 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.750 -3.899 0.691 1.00 0.00 C ATOM 0 H ILE A 53 4.679 -3.936 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 53 5.700 -1.286 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 53 6.570 -3.798 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.132 -1.778 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.172 -2.385 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.629 -2.278 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.359 -2.150 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.233 -0.895 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.845 -3.778 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.617 -4.727 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.593 -4.110 1.349 1.00 0.00 H new ATOM 770 N ALA A 54 7.503 -1.262 -3.964 1.00 0.00 N ATOM 771 CA ALA A 54 8.651 -1.161 -4.851 1.00 0.00 C ATOM 772 C ALA A 54 9.907 -0.883 -4.024 1.00 0.00 C ATOM 773 O ALA A 54 10.882 -1.629 -4.100 1.00 0.00 O ATOM 774 CB ALA A 54 8.392 -0.079 -5.900 1.00 0.00 C ATOM 0 H ALA A 54 6.921 -0.425 -3.923 1.00 0.00 H new ATOM 0 HA ALA A 54 8.808 -2.099 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.252 -0.003 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.507 -0.339 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.232 0.878 -5.404 1.00 0.00 H new ATOM 780 N LYS A 55 9.842 0.192 -3.251 1.00 0.00 N ATOM 781 CA LYS A 55 10.963 0.576 -2.411 1.00 0.00 C ATOM 782 C LYS A 55 10.439 1.035 -1.048 1.00 0.00 C ATOM 783 O LYS A 55 9.389 1.671 -0.964 1.00 0.00 O ATOM 784 CB LYS A 55 11.830 1.620 -3.118 1.00 0.00 C ATOM 785 CG LYS A 55 12.554 2.509 -2.105 1.00 0.00 C ATOM 786 CD LYS A 55 13.609 1.714 -1.334 1.00 0.00 C ATOM 787 CE LYS A 55 14.988 2.363 -1.463 1.00 0.00 C ATOM 788 NZ LYS A 55 16.051 1.400 -1.095 1.00 0.00 N ATOM 0 H LYS A 55 9.031 0.808 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 55 11.615 -0.279 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.560 1.121 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.207 2.235 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.028 3.344 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.832 2.934 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.328 1.655 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.647 0.692 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.140 2.708 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.045 3.240 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.981 1.857 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.914 1.091 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.006 0.575 -1.727 1.00 0.00 H new ATOM 802 N ILE A 56 11.194 0.693 -0.015 1.00 0.00 N ATOM 803 CA ILE A 56 10.819 1.060 1.340 1.00 0.00 C ATOM 804 C ILE A 56 11.797 2.112 1.869 1.00 0.00 C ATOM 805 O ILE A 56 12.942 1.795 2.187 1.00 0.00 O ATOM 806 CB ILE A 56 10.716 -0.184 2.225 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.553 -1.075 1.785 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.617 0.200 3.703 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.064 -1.950 2.941 1.00 0.00 C ATOM 0 H ILE A 56 12.064 0.166 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 56 9.827 1.512 1.350 1.00 0.00 H new ATOM 0 HB ILE A 56 11.630 -0.765 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.733 -0.456 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.868 -1.707 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.545 -0.703 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.505 0.762 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.731 0.815 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.237 -2.573 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.879 -2.586 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.727 -1.315 3.760 1.00 0.00 H new ATOM 821 N LEU A 57 11.311 3.342 1.945 1.00 0.00 N ATOM 822 CA LEU A 57 12.127 4.441 2.429 1.00 0.00 C ATOM 823 C LEU A 57 12.949 3.969 3.631 1.00 0.00 C ATOM 824 O LEU A 57 12.519 3.089 4.374 1.00 0.00 O ATOM 825 CB LEU A 57 11.259 5.666 2.721 1.00 0.00 C ATOM 826 CG LEU A 57 10.957 6.573 1.526 1.00 0.00 C ATOM 827 CD1 LEU A 57 12.181 7.409 1.147 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.428 5.761 0.341 1.00 0.00 C ATOM 0 H LEU A 57 10.361 3.601 1.679 1.00 0.00 H new ATOM 0 HA LEU A 57 12.834 4.757 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.313 5.325 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.752 6.262 3.489 1.00 0.00 H new ATOM 0 HG LEU A 57 10.170 7.269 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.938 8.044 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.472 8.032 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.006 6.747 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.221 6.429 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.175 5.026 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.511 5.249 0.631 1.00 0.00 H new ATOM 840 N PRO A 58 14.147 4.593 3.789 1.00 0.00 N ATOM 841 CA PRO A 58 15.033 4.247 4.887 1.00 0.00 C ATOM 842 C PRO A 58 14.519 4.825 6.208 1.00 0.00 C ATOM 843 O PRO A 58 14.071 5.968 6.257 1.00 0.00 O ATOM 844 CB PRO A 58 16.391 4.798 4.486 1.00 0.00 C ATOM 845 CG PRO A 58 16.119 5.831 3.405 1.00 0.00 C ATOM 846 CD PRO A 58 14.688 5.642 2.928 1.00 0.00 C ATOM 0 HA PRO A 58 15.090 3.172 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.897 5.250 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.040 4.005 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.261 6.839 3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.817 5.709 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.115 6.565 3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.656 5.349 1.879 1.00 0.00 H new ATOM 854 N GLY A 59 14.602 4.006 7.247 1.00 0.00 N ATOM 855 CA GLY A 59 14.151 4.420 8.564 1.00 0.00 C ATOM 856 C GLY A 59 12.896 5.288 8.466 1.00 0.00 C ATOM 857 O GLY A 59 12.855 6.392 9.009 1.00 0.00 O ATOM 0 H GLY A 59 14.975 3.058 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.943 3.541 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.943 4.976 9.066 1.00 0.00 H new ATOM 861 N GLY A 60 11.902 4.758 7.769 1.00 0.00 N ATOM 862 CA GLY A 60 10.648 5.472 7.593 1.00 0.00 C ATOM 863 C GLY A 60 9.552 4.882 8.483 1.00 0.00 C ATOM 864 O GLY A 60 9.838 4.113 9.400 1.00 0.00 O ATOM 0 H GLY A 60 11.939 3.843 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.789 6.526 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.340 5.421 6.549 1.00 0.00 H new ATOM 868 N SER A 61 8.320 5.265 8.182 1.00 0.00 N ATOM 869 CA SER A 61 7.179 4.783 8.943 1.00 0.00 C ATOM 870 C SER A 61 6.837 3.352 8.526 1.00 0.00 C ATOM 871 O SER A 61 6.395 2.550 9.347 1.00 0.00 O ATOM 872 CB SER A 61 5.966 5.695 8.753 1.00 0.00 C ATOM 873 OG SER A 61 6.206 7.011 9.245 1.00 0.00 O ATOM 0 H SER A 61 8.087 5.904 7.422 1.00 0.00 H new ATOM 0 HA SER A 61 7.445 4.792 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.712 5.744 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.106 5.267 9.268 1.00 0.00 H new ATOM 0 HG SER A 61 5.409 7.563 9.104 1.00 0.00 H new ATOM 879 N ALA A 62 7.055 3.074 7.248 1.00 0.00 N ATOM 880 CA ALA A 62 6.775 1.753 6.711 1.00 0.00 C ATOM 881 C ALA A 62 7.827 0.766 7.224 1.00 0.00 C ATOM 882 O ALA A 62 7.487 -0.312 7.709 1.00 0.00 O ATOM 883 CB ALA A 62 6.735 1.821 5.183 1.00 0.00 C ATOM 0 H ALA A 62 7.422 3.741 6.569 1.00 0.00 H new ATOM 0 HA ALA A 62 5.800 1.400 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.525 0.830 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.953 2.513 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.698 2.168 4.809 1.00 0.00 H new ATOM 889 N GLU A 63 9.082 1.170 7.099 1.00 0.00 N ATOM 890 CA GLU A 63 10.185 0.334 7.543 1.00 0.00 C ATOM 891 C GLU A 63 10.165 0.195 9.066 1.00 0.00 C ATOM 892 O GLU A 63 10.640 -0.801 9.609 1.00 0.00 O ATOM 893 CB GLU A 63 11.525 0.894 7.062 1.00 0.00 C ATOM 894 CG GLU A 63 12.689 0.043 7.572 1.00 0.00 C ATOM 895 CD GLU A 63 13.987 0.395 6.842 1.00 0.00 C ATOM 896 OE1 GLU A 63 14.029 0.163 5.616 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.908 0.890 7.529 1.00 0.00 O ATOM 0 H GLU A 63 9.360 2.065 6.697 1.00 0.00 H new ATOM 0 HA GLU A 63 10.064 -0.657 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.541 0.923 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.640 1.920 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.816 0.199 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.462 -1.013 7.429 1.00 0.00 H new ATOM 904 N GLN A 64 9.608 1.209 9.715 1.00 0.00 N ATOM 905 CA GLN A 64 9.519 1.211 11.165 1.00 0.00 C ATOM 906 C GLN A 64 8.866 -0.082 11.658 1.00 0.00 C ATOM 907 O GLN A 64 9.383 -0.736 12.563 1.00 0.00 O ATOM 908 CB GLN A 64 8.755 2.438 11.665 1.00 0.00 C ATOM 909 CG GLN A 64 9.701 3.445 12.321 1.00 0.00 C ATOM 910 CD GLN A 64 9.458 3.526 13.829 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.449 2.532 14.536 1.00 0.00 O ATOM 912 NE2 GLN A 64 9.261 4.761 14.280 1.00 0.00 N ATOM 0 H GLN A 64 9.214 2.034 9.262 1.00 0.00 H new ATOM 0 HA GLN A 64 10.529 1.263 11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.236 2.911 10.832 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.994 2.129 12.381 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.734 3.155 12.131 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.558 4.428 11.873 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.282 5.549 13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.089 4.920 15.273 1.00 0.00 H new ATOM 921 N THR A 65 7.740 -0.410 11.043 1.00 0.00 N ATOM 922 CA THR A 65 7.011 -1.613 11.409 1.00 0.00 C ATOM 923 C THR A 65 7.945 -2.825 11.402 1.00 0.00 C ATOM 924 O THR A 65 7.917 -3.639 12.324 1.00 0.00 O ATOM 925 CB THR A 65 5.824 -1.755 10.455 1.00 0.00 C ATOM 926 OG1 THR A 65 6.425 -1.889 9.169 1.00 0.00 O ATOM 927 CG2 THR A 65 5.000 -0.469 10.349 1.00 0.00 C ATOM 0 H THR A 65 7.314 0.136 10.294 1.00 0.00 H new ATOM 0 HA THR A 65 6.623 -1.547 12.425 1.00 0.00 H new ATOM 0 HB THR A 65 5.183 -2.570 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.761 -1.017 8.872 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.170 -0.624 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.610 -0.204 11.332 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.632 0.339 9.980 1.00 0.00 H new ATOM 935 N GLY A 66 8.748 -2.907 10.352 1.00 0.00 N ATOM 936 CA GLY A 66 9.688 -4.007 10.213 1.00 0.00 C ATOM 937 C GLY A 66 8.981 -5.275 9.731 1.00 0.00 C ATOM 938 O GLY A 66 9.559 -6.360 9.757 1.00 0.00 O ATOM 0 H GLY A 66 8.768 -2.230 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.472 -3.733 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.173 -4.198 11.170 1.00 0.00 H new ATOM 942 N LYS A 67 7.740 -5.096 9.304 1.00 0.00 N ATOM 943 CA LYS A 67 6.948 -6.212 8.816 1.00 0.00 C ATOM 944 C LYS A 67 6.776 -6.088 7.301 1.00 0.00 C ATOM 945 O LYS A 67 6.560 -7.084 6.612 1.00 0.00 O ATOM 946 CB LYS A 67 5.625 -6.304 9.579 1.00 0.00 C ATOM 947 CG LYS A 67 5.760 -7.213 10.802 1.00 0.00 C ATOM 948 CD LYS A 67 4.521 -7.119 11.695 1.00 0.00 C ATOM 949 CE LYS A 67 4.744 -7.846 13.022 1.00 0.00 C ATOM 950 NZ LYS A 67 4.201 -7.051 14.147 1.00 0.00 N ATOM 0 H LYS A 67 7.263 -4.194 9.286 1.00 0.00 H new ATOM 0 HA LYS A 67 7.464 -7.154 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.313 -5.308 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.847 -6.688 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.902 -8.244 10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.646 -6.932 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.284 -6.072 11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.663 -7.551 11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.262 -8.823 12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.809 -8.021 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.361 -7.559 15.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.680 -6.128 14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.180 -6.906 14.009 1.00 0.00 H new ATOM 964 N LEU A 68 6.880 -4.855 6.825 1.00 0.00 N ATOM 965 CA LEU A 68 6.739 -4.587 5.404 1.00 0.00 C ATOM 966 C LEU A 68 8.055 -4.913 4.694 1.00 0.00 C ATOM 967 O LEU A 68 9.132 -4.710 5.254 1.00 0.00 O ATOM 968 CB LEU A 68 6.255 -3.154 5.174 1.00 0.00 C ATOM 969 CG LEU A 68 4.753 -2.919 5.341 1.00 0.00 C ATOM 970 CD1 LEU A 68 4.018 -3.099 4.012 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.176 -3.814 6.441 1.00 0.00 C ATOM 0 H LEU A 68 7.060 -4.031 7.399 1.00 0.00 H new ATOM 0 HA LEU A 68 5.974 -5.231 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.784 -2.498 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.540 -2.853 4.166 1.00 0.00 H new ATOM 0 HG LEU A 68 4.603 -1.886 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.952 -2.926 4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.404 -2.386 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.174 -4.113 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.107 -3.627 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.339 -4.860 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.671 -3.593 7.387 1.00 0.00 H new ATOM 983 N MET A 69 7.925 -5.413 3.475 1.00 0.00 N ATOM 984 CA MET A 69 9.091 -5.767 2.683 1.00 0.00 C ATOM 985 C MET A 69 8.868 -5.447 1.204 1.00 0.00 C ATOM 986 O MET A 69 7.735 -5.455 0.728 1.00 0.00 O ATOM 987 CB MET A 69 9.381 -7.262 2.844 1.00 0.00 C ATOM 988 CG MET A 69 10.217 -7.526 4.099 1.00 0.00 C ATOM 989 SD MET A 69 11.941 -7.679 3.663 1.00 0.00 S ATOM 990 CE MET A 69 12.478 -8.827 4.919 1.00 0.00 C ATOM 0 H MET A 69 7.030 -5.582 3.016 1.00 0.00 H new ATOM 0 HA MET A 69 9.939 -5.182 3.037 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.443 -7.814 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.911 -7.630 1.965 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.085 -6.712 4.812 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.875 -8.438 4.589 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.541 -9.034 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 69 12.307 -8.394 5.905 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.914 -9.756 4.828 1.00 0.00 H new ATOM 1000 N GLU A 70 9.969 -5.172 0.519 1.00 0.00 N ATOM 1001 CA GLU A 70 9.908 -4.849 -0.897 1.00 0.00 C ATOM 1002 C GLU A 70 9.404 -6.054 -1.694 1.00 0.00 C ATOM 1003 O GLU A 70 9.625 -7.199 -1.302 1.00 0.00 O ATOM 1004 CB GLU A 70 11.271 -4.380 -1.411 1.00 0.00 C ATOM 1005 CG GLU A 70 11.786 -3.193 -0.595 1.00 0.00 C ATOM 1006 CD GLU A 70 13.286 -3.324 -0.325 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.675 -4.383 0.213 1.00 0.00 O ATOM 1008 OE2 GLU A 70 14.009 -2.362 -0.660 1.00 0.00 O ATOM 0 H GLU A 70 10.908 -5.166 0.918 1.00 0.00 H new ATOM 0 HA GLU A 70 9.204 -4.028 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.986 -5.201 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.190 -4.097 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.589 -2.265 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.246 -3.135 0.350 1.00 0.00 H new ATOM 1015 N GLY A 71 8.739 -5.754 -2.800 1.00 0.00 N ATOM 1016 CA GLY A 71 8.203 -6.799 -3.657 1.00 0.00 C ATOM 1017 C GLY A 71 6.788 -7.189 -3.225 1.00 0.00 C ATOM 1018 O GLY A 71 5.942 -7.498 -4.064 1.00 0.00 O ATOM 0 H GLY A 71 8.559 -4.803 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.190 -6.455 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.853 -7.674 -3.620 1.00 0.00 H new ATOM 1022 N MET A 72 6.574 -7.163 -1.918 1.00 0.00 N ATOM 1023 CA MET A 72 5.276 -7.511 -1.364 1.00 0.00 C ATOM 1024 C MET A 72 4.148 -6.835 -2.147 1.00 0.00 C ATOM 1025 O MET A 72 4.232 -5.650 -2.466 1.00 0.00 O ATOM 1026 CB MET A 72 5.212 -7.077 0.101 1.00 0.00 C ATOM 1027 CG MET A 72 5.915 -8.092 1.005 1.00 0.00 C ATOM 1028 SD MET A 72 4.717 -9.207 1.717 1.00 0.00 S ATOM 1029 CE MET A 72 4.805 -8.703 3.428 1.00 0.00 C ATOM 0 H MET A 72 7.278 -6.906 -1.226 1.00 0.00 H new ATOM 0 HA MET A 72 5.148 -8.591 -1.437 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.679 -6.099 0.215 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.171 -6.971 0.408 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.651 -8.654 0.431 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.456 -7.573 1.796 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.076 -9.266 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.806 -8.897 3.814 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.587 -7.638 3.505 1.00 0.00 H new ATOM 1039 N GLN A 73 3.117 -7.618 -2.433 1.00 0.00 N ATOM 1040 CA GLN A 73 1.974 -7.109 -3.170 1.00 0.00 C ATOM 1041 C GLN A 73 0.915 -6.573 -2.205 1.00 0.00 C ATOM 1042 O GLN A 73 0.327 -7.334 -1.438 1.00 0.00 O ATOM 1043 CB GLN A 73 1.389 -8.188 -4.085 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.001 -7.785 -4.586 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.633 -8.911 -5.408 1.00 0.00 C ATOM 1046 OE1 GLN A 73 0.042 -9.732 -6.007 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.962 -8.901 -5.405 1.00 0.00 N ATOM 0 H GLN A 73 3.050 -8.601 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 73 2.309 -6.286 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.053 -8.350 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.326 -9.133 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.642 -7.545 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.074 -6.884 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.465 -8.185 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.479 -9.610 -5.926 1.00 0.00 H new ATOM 1056 N VAL A 74 0.701 -5.268 -2.276 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.277 -4.622 -1.419 1.00 0.00 C ATOM 1058 C VAL A 74 -1.683 -4.905 -1.952 1.00 0.00 C ATOM 1059 O VAL A 74 -2.068 -4.391 -3.000 1.00 0.00 O ATOM 1060 CB VAL A 74 0.030 -3.126 -1.308 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.934 -2.440 -0.338 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.484 -2.895 -0.894 1.00 0.00 C ATOM 0 H VAL A 74 1.189 -4.640 -2.915 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.225 -5.027 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.112 -2.679 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.695 -1.378 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.957 -2.562 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.838 -2.891 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.676 -1.824 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.665 -3.362 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.148 -3.334 -1.638 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.410 -5.724 -1.205 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.765 -6.083 -1.590 1.00 0.00 C ATOM 1074 C LEU A 75 -4.650 -4.835 -1.545 1.00 0.00 C ATOM 1075 O LEU A 75 -5.246 -4.456 -2.552 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.280 -7.234 -0.724 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.341 -8.431 -0.573 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.504 -9.085 0.801 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.540 -9.433 -1.712 1.00 0.00 C ATOM 0 H LEU A 75 -2.087 -6.149 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.786 -6.452 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.502 -6.844 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.221 -7.587 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.315 -8.070 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.825 -9.934 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.272 -8.358 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.531 -9.429 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.860 -10.274 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.569 -9.794 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.334 -8.946 -2.665 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.708 -4.231 -0.366 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.510 -3.035 -0.177 1.00 0.00 C ATOM 1093 C GLU A 76 -4.750 -2.015 0.672 1.00 0.00 C ATOM 1094 O GLU A 76 -3.863 -2.380 1.442 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.861 -3.376 0.455 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.666 -4.315 -0.445 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.719 -5.079 0.362 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.085 -4.568 1.443 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.135 -6.154 -0.121 1.00 0.00 O ATOM 0 H GLU A 76 -4.212 -4.548 0.467 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.704 -2.593 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.704 -3.844 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.426 -2.461 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.153 -3.741 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.994 -5.021 -0.934 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.124 -0.755 0.503 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.489 0.321 1.244 1.00 0.00 C ATOM 1108 C TRP A 77 -5.586 1.136 1.931 1.00 0.00 C ATOM 1109 O TRP A 77 -6.481 1.660 1.269 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.600 1.166 0.329 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.226 2.531 0.913 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.866 3.697 0.759 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -2.091 2.823 1.754 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -3.230 4.717 1.438 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -2.116 4.169 2.062 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -1.076 1.979 2.240 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -1.152 4.789 2.867 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 -0.121 2.615 3.042 1.00 0.00 C ATOM 1119 CH2 TRP A 77 -0.132 3.968 3.361 1.00 0.00 C ATOM 0 H TRP A 77 -5.860 -0.455 -0.137 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.823 -0.079 2.009 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.687 0.612 0.114 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.113 1.317 -0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.767 3.824 0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.524 5.693 1.475 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.037 0.924 2.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -1.194 5.844 3.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.681 2.012 3.441 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.643 4.384 3.987 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.483 1.216 3.249 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.456 1.957 4.033 1.00 0.00 C ATOM 1132 C ASN A 78 -7.863 1.466 3.688 1.00 0.00 C ATOM 1133 O ASN A 78 -8.826 2.229 3.759 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.388 3.454 3.721 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.081 4.062 4.236 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -3.992 3.398 3.861 1.00 0.00 O flip ATOM 1137 ND2 ASN A 78 -5.064 5.067 4.928 1.00 0.00 N flip ATOM 0 H ASN A 78 -4.740 0.779 3.794 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.232 1.797 5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.466 3.609 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.236 3.964 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.938 5.528 5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.175 5.446 5.255 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.938 0.196 3.320 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.212 -0.406 2.963 1.00 0.00 C ATOM 1146 C GLY A 79 -9.429 -0.375 1.450 1.00 0.00 C ATOM 1147 O GLY A 79 -9.970 -1.319 0.876 1.00 0.00 O ATOM 0 H GLY A 79 -7.137 -0.433 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.243 -1.436 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.022 0.127 3.461 1.00 0.00 H new ATOM 1151 N ILE A 80 -8.995 0.722 0.845 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.135 0.889 -0.592 1.00 0.00 C ATOM 1153 C ILE A 80 -8.193 -0.081 -1.308 1.00 0.00 C ATOM 1154 O ILE A 80 -6.995 -0.109 -1.029 1.00 0.00 O ATOM 1155 CB ILE A 80 -8.924 2.353 -0.984 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -9.797 3.278 -0.133 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.160 2.559 -2.482 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.033 3.776 1.094 1.00 0.00 C ATOM 0 H ILE A 80 -8.547 1.503 1.324 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.148 0.641 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.885 2.615 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.124 4.128 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.695 2.747 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.004 3.608 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.463 1.942 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.182 2.274 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.676 4.431 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.728 2.925 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.149 4.327 0.773 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.784 -0.874 -2.241 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.011 -1.842 -3.000 1.00 0.00 C ATOM 1172 C PRO A 81 -7.166 -1.152 -4.072 1.00 0.00 C ATOM 1173 O PRO A 81 -7.485 -0.043 -4.499 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.039 -2.800 -3.580 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.371 -2.071 -3.513 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.200 -0.868 -2.598 1.00 0.00 C ATOM 0 HA PRO A 81 -7.289 -2.378 -2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.790 -3.065 -4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.073 -3.729 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.682 -1.752 -4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.149 -2.732 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.477 0.057 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.832 -0.950 -1.714 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.104 -1.834 -4.476 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.212 -1.301 -5.490 1.00 0.00 C ATOM 1186 C LEU A 82 -5.215 -2.228 -6.707 1.00 0.00 C ATOM 1187 O LEU A 82 -4.561 -1.946 -7.709 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.819 -1.059 -4.904 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.754 -0.131 -3.690 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.329 -0.046 -3.141 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.323 1.251 -4.025 1.00 0.00 C ATOM 0 H LEU A 82 -5.842 -2.752 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.563 -0.327 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.392 -2.022 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.184 -0.645 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.378 -0.554 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.311 0.620 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.995 -1.039 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.664 0.342 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.265 1.891 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.746 1.695 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.364 1.151 -4.333 1.00 0.00 H new ATOM 1203 N THR A 83 -5.959 -3.318 -6.578 1.00 0.00 N ATOM 1204 CA THR A 83 -6.057 -4.289 -7.654 1.00 0.00 C ATOM 1205 C THR A 83 -6.987 -3.774 -8.754 1.00 0.00 C ATOM 1206 O THR A 83 -8.109 -3.352 -8.477 1.00 0.00 O ATOM 1207 CB THR A 83 -6.508 -5.620 -7.050 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.337 -6.128 -6.416 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.837 -6.666 -8.118 1.00 0.00 C ATOM 0 H THR A 83 -6.499 -3.549 -5.744 1.00 0.00 H new ATOM 0 HA THR A 83 -5.092 -4.445 -8.135 1.00 0.00 H new ATOM 0 HB THR A 83 -7.383 -5.455 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.540 -6.990 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.152 -7.592 -7.636 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.642 -6.296 -8.754 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.952 -6.856 -8.726 1.00 0.00 H new ATOM 1217 N SER A 84 -6.487 -3.826 -9.980 1.00 0.00 N ATOM 1218 CA SER A 84 -7.260 -3.371 -11.123 1.00 0.00 C ATOM 1219 C SER A 84 -7.188 -1.846 -11.229 1.00 0.00 C ATOM 1220 O SER A 84 -8.160 -1.201 -11.620 1.00 0.00 O ATOM 1221 CB SER A 84 -8.716 -3.828 -11.022 1.00 0.00 C ATOM 1222 OG SER A 84 -9.276 -4.114 -12.300 1.00 0.00 O ATOM 0 H SER A 84 -5.556 -4.176 -10.207 1.00 0.00 H new ATOM 0 HA SER A 84 -6.832 -3.813 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.774 -4.717 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.306 -3.053 -10.533 1.00 0.00 H new ATOM 0 HG SER A 84 -10.206 -4.404 -12.192 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.027 -1.314 -10.874 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.817 0.123 -10.924 1.00 0.00 C ATOM 1230 C LYS A 85 -4.513 0.417 -11.668 1.00 0.00 C ATOM 1231 O LYS A 85 -3.867 -0.495 -12.181 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.871 0.722 -9.516 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.140 0.286 -8.783 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.277 1.282 -9.016 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.844 1.789 -7.688 1.00 0.00 C ATOM 1236 NZ LYS A 85 -9.980 2.706 -7.925 1.00 0.00 N ATOM 0 H LYS A 85 -5.223 -1.852 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.619 0.607 -11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.994 0.409 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.838 1.810 -9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.442 -0.703 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.937 0.203 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.913 2.124 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.068 0.807 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.171 0.946 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.065 2.304 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.352 3.040 -7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.658 3.520 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.730 2.204 -8.442 1.00 0.00 H new ATOM 1250 N THR A 86 -4.165 1.696 -11.704 1.00 0.00 N ATOM 1251 CA THR A 86 -2.951 2.121 -12.378 1.00 0.00 C ATOM 1252 C THR A 86 -2.047 2.889 -11.413 1.00 0.00 C ATOM 1253 O THR A 86 -2.516 3.426 -10.410 1.00 0.00 O ATOM 1254 CB THR A 86 -3.353 2.935 -13.610 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.368 3.812 -13.131 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.063 2.086 -14.666 1.00 0.00 C ATOM 0 H THR A 86 -4.703 2.450 -11.277 1.00 0.00 H new ATOM 0 HA THR A 86 -2.365 1.265 -12.713 1.00 0.00 H new ATOM 0 HB THR A 86 -2.466 3.392 -14.048 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.685 4.378 -13.866 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.327 2.712 -15.519 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.401 1.285 -14.994 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.968 1.656 -14.238 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.765 2.918 -11.747 1.00 0.00 N ATOM 1265 CA TYR A 87 0.209 3.611 -10.922 1.00 0.00 C ATOM 1266 C TYR A 87 -0.378 4.902 -10.348 1.00 0.00 C ATOM 1267 O TYR A 87 -0.437 5.075 -9.132 1.00 0.00 O ATOM 1268 CB TYR A 87 1.374 3.963 -11.850 1.00 0.00 C ATOM 1269 CG TYR A 87 2.625 4.456 -11.119 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.578 5.622 -10.382 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.799 3.735 -11.197 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.756 6.086 -9.694 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.976 4.199 -10.510 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.896 5.351 -9.792 1.00 0.00 C ATOM 1275 OH TYR A 87 6.008 5.789 -9.142 1.00 0.00 O ATOM 0 H TYR A 87 -0.378 2.472 -12.579 1.00 0.00 H new ATOM 0 HA TYR A 87 0.516 2.985 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.633 3.084 -12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.048 4.732 -12.550 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.659 6.186 -10.321 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.835 2.822 -11.774 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.734 6.997 -9.114 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.901 3.645 -10.564 1.00 0.00 H new ATOM 0 HH TYR A 87 6.747 5.164 -9.300 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.798 5.776 -11.251 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.378 7.046 -10.851 1.00 0.00 C ATOM 1287 C GLU A 88 -2.483 6.822 -9.816 1.00 0.00 C ATOM 1288 O GLU A 88 -2.318 7.156 -8.644 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.910 7.813 -12.063 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.874 8.814 -12.577 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.472 10.219 -12.678 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.740 10.801 -11.604 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.646 10.680 -13.826 1.00 0.00 O ATOM 0 H GLU A 88 -0.748 5.629 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.596 7.652 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.168 7.112 -12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.825 8.339 -11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.014 8.828 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.512 8.498 -13.555 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.586 6.258 -10.287 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.717 5.985 -9.417 1.00 0.00 C ATOM 1302 C GLU A 89 -4.231 5.500 -8.050 1.00 0.00 C ATOM 1303 O GLU A 89 -4.422 6.179 -7.042 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.666 4.968 -10.054 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.305 5.535 -11.324 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.830 5.548 -11.212 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.319 6.072 -10.187 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.473 5.034 -12.153 1.00 0.00 O ATOM 0 H GLU A 89 -3.720 5.983 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.273 6.912 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.120 4.056 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.444 4.696 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.941 6.548 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.005 4.937 -12.184 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.611 4.329 -8.060 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.096 3.744 -6.833 1.00 0.00 C ATOM 1317 C VAL A 90 -2.424 4.835 -5.997 1.00 0.00 C ATOM 1318 O VAL A 90 -2.831 5.093 -4.864 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.158 2.581 -7.161 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.564 1.980 -5.886 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.878 1.513 -7.987 1.00 0.00 C ATOM 0 H VAL A 90 -3.454 3.769 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.909 3.330 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.336 2.972 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.901 1.155 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.999 2.744 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.368 1.611 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.189 0.697 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.728 1.128 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.231 1.951 -8.920 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.408 5.448 -6.586 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.677 6.505 -5.910 1.00 0.00 C ATOM 1333 C GLN A 91 -1.645 7.432 -5.172 1.00 0.00 C ATOM 1334 O GLN A 91 -1.609 7.524 -3.946 1.00 0.00 O ATOM 1335 CB GLN A 91 0.190 7.290 -6.896 1.00 0.00 C ATOM 1336 CG GLN A 91 1.621 7.438 -6.372 1.00 0.00 C ATOM 1337 CD GLN A 91 2.068 8.901 -6.405 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.585 9.707 -7.181 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.017 9.195 -5.520 1.00 0.00 N ATOM 0 H GLN A 91 -1.074 5.232 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.012 6.048 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.203 6.781 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.244 8.276 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.680 7.059 -5.352 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.298 6.833 -6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.377 8.470 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.384 10.145 -5.462 1.00 0.00 H new ATOM 1348 N SER A 92 -2.487 8.096 -5.951 1.00 0.00 N ATOM 1349 CA SER A 92 -3.463 9.013 -5.386 1.00 0.00 C ATOM 1350 C SER A 92 -4.055 8.424 -4.104 1.00 0.00 C ATOM 1351 O SER A 92 -4.053 9.073 -3.059 1.00 0.00 O ATOM 1352 CB SER A 92 -4.575 9.320 -6.392 1.00 0.00 C ATOM 1353 OG SER A 92 -4.417 10.606 -6.985 1.00 0.00 O ATOM 0 H SER A 92 -2.514 8.017 -6.968 1.00 0.00 H new ATOM 0 HA SER A 92 -2.956 9.948 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.579 8.559 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.542 9.268 -5.891 1.00 0.00 H new ATOM 0 HG SER A 92 -5.145 10.764 -7.622 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.547 7.199 -4.226 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.140 6.515 -3.089 1.00 0.00 C ATOM 1361 C ILE A 93 -4.160 6.541 -1.915 1.00 0.00 C ATOM 1362 O ILE A 93 -4.555 6.791 -0.777 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.589 5.108 -3.486 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.900 5.150 -4.272 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.684 4.197 -2.260 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.135 3.836 -5.019 1.00 0.00 C ATOM 0 H ILE A 93 -4.547 6.663 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.042 7.032 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.833 4.683 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.730 5.339 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.876 5.977 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.005 3.203 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.708 4.130 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.407 4.609 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.074 3.893 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.316 3.662 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.183 3.015 -4.304 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.900 6.280 -2.231 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.861 6.270 -1.217 1.00 0.00 C ATOM 1380 C ILE A 94 -1.531 7.709 -0.817 1.00 0.00 C ATOM 1381 O ILE A 94 -1.656 8.077 0.351 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.648 5.472 -1.700 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.060 4.414 -2.725 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.113 4.862 -0.521 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.184 3.166 -2.609 1.00 0.00 C ATOM 0 H ILE A 94 -2.576 6.074 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.211 5.761 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 94 0.034 6.159 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.105 4.144 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.980 4.827 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.970 4.300 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.459 5.657 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.547 4.193 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.499 2.430 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.858 3.435 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.285 2.742 -1.610 1.00 0.00 H new ATOM 1397 N SER A 95 -1.115 8.484 -1.807 1.00 0.00 N ATOM 1398 CA SER A 95 -0.766 9.876 -1.573 1.00 0.00 C ATOM 1399 C SER A 95 -1.737 10.496 -0.567 1.00 0.00 C ATOM 1400 O SER A 95 -1.391 10.687 0.598 1.00 0.00 O ATOM 1401 CB SER A 95 -0.774 10.672 -2.879 1.00 0.00 C ATOM 1402 OG SER A 95 0.496 11.260 -3.153 1.00 0.00 O ATOM 0 H SER A 95 -1.011 8.175 -2.774 1.00 0.00 H new ATOM 0 HA SER A 95 0.243 9.912 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.055 10.015 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.531 11.454 -2.823 1.00 0.00 H new ATOM 0 HG SER A 95 0.451 11.758 -3.996 1.00 0.00 H new ATOM 1408 N GLN A 96 -2.933 10.794 -1.054 1.00 0.00 N ATOM 1409 CA GLN A 96 -3.956 11.389 -0.211 1.00 0.00 C ATOM 1410 C GLN A 96 -4.078 10.616 1.103 1.00 0.00 C ATOM 1411 O GLN A 96 -4.569 9.488 1.120 1.00 0.00 O ATOM 1412 CB GLN A 96 -5.301 11.449 -0.940 1.00 0.00 C ATOM 1413 CG GLN A 96 -6.124 12.651 -0.475 1.00 0.00 C ATOM 1414 CD GLN A 96 -7.424 12.767 -1.275 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -8.473 12.292 -0.873 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -7.295 13.425 -2.423 1.00 0.00 N ATOM 0 H GLN A 96 -3.216 10.635 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.659 12.412 0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.133 11.513 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.858 10.530 -0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.353 12.551 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.539 13.564 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.386 13.797 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.105 13.558 -3.028 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.624 11.253 2.172 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.676 10.638 3.488 1.00 0.00 C ATOM 1427 C GLN A 97 -3.555 11.705 4.578 1.00 0.00 C ATOM 1428 O GLN A 97 -4.555 12.114 5.166 1.00 0.00 O ATOM 1429 CB GLN A 97 -2.589 9.573 3.639 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.633 8.937 5.031 1.00 0.00 C ATOM 1431 CD GLN A 97 -4.042 8.442 5.361 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.484 7.487 4.548 1.00 0.00 O flip ATOM 1433 NE2 GLN A 97 -4.684 8.896 6.294 1.00 0.00 N flip ATOM 0 H GLN A 97 -3.218 12.189 2.154 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.641 10.143 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.722 8.803 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.610 10.021 3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.931 8.105 5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.315 9.664 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.284 9.629 6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.621 8.542 6.489 1.00 0.00 H new ATOM 1442 N SER A 98 -2.321 12.126 4.813 1.00 0.00 N ATOM 1443 CA SER A 98 -2.056 13.138 5.822 1.00 0.00 C ATOM 1444 C SER A 98 -2.315 12.567 7.217 1.00 0.00 C ATOM 1445 O SER A 98 -3.244 12.990 7.903 1.00 0.00 O ATOM 1446 CB SER A 98 -2.912 14.384 5.590 1.00 0.00 C ATOM 1447 OG SER A 98 -2.226 15.579 5.954 1.00 0.00 O ATOM 0 H SER A 98 -1.494 11.785 4.323 1.00 0.00 H new ATOM 0 HA SER A 98 -1.009 13.431 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.199 14.436 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.833 14.304 6.168 1.00 0.00 H new ATOM 0 HG SER A 98 -2.806 16.352 5.790 1.00 0.00 H new ATOM 1453 N GLY A 99 -1.477 11.613 7.596 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.604 10.979 8.898 1.00 0.00 C ATOM 1455 C GLY A 99 -1.497 9.458 8.780 1.00 0.00 C ATOM 1456 O GLY A 99 -1.382 8.924 7.678 1.00 0.00 O ATOM 0 H GLY A 99 -0.708 11.264 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.826 11.351 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.562 11.246 9.345 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.539 8.802 9.931 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.449 7.353 9.970 1.00 0.00 C ATOM 1462 C GLU A 100 -2.289 6.738 8.850 1.00 0.00 C ATOM 1463 O GLU A 100 -3.227 7.365 8.357 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.876 6.814 11.337 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.377 7.009 11.557 1.00 0.00 C ATOM 1466 CD GLU A 100 -4.091 5.664 11.696 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.683 4.727 10.976 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -5.029 5.601 12.520 1.00 0.00 O ATOM 0 H GLU A 100 -1.634 9.248 10.843 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.408 7.069 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.629 5.755 11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.320 7.324 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.542 7.606 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.801 7.565 10.721 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.925 5.519 8.481 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.634 4.812 7.427 1.00 0.00 C ATOM 1477 C ALA A 101 -2.484 3.305 7.641 1.00 0.00 C ATOM 1478 O ALA A 101 -1.559 2.858 8.316 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.106 5.263 6.064 1.00 0.00 C ATOM 0 H ALA A 101 -1.148 5.002 8.893 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.698 5.045 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.638 4.733 5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.263 6.336 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.041 5.043 5.995 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.411 2.562 7.052 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.394 1.113 7.169 1.00 0.00 C ATOM 1487 C GLU A 102 -2.856 0.483 5.883 1.00 0.00 C ATOM 1488 O GLU A 102 -2.690 1.167 4.875 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.786 0.574 7.505 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.268 1.102 8.858 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.441 2.069 8.682 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.447 2.772 7.649 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -7.304 2.083 9.586 1.00 0.00 O ATOM 0 H GLU A 102 -4.178 2.936 6.493 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.729 0.841 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.490 0.865 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.763 -0.516 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.571 0.268 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.448 1.608 9.368 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.600 -0.815 5.961 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.084 -1.545 4.815 1.00 0.00 C ATOM 1502 C ILE A 103 -2.645 -2.968 4.828 1.00 0.00 C ATOM 1503 O ILE A 103 -2.964 -3.503 5.889 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.556 -1.487 4.786 1.00 0.00 C ATOM 1505 CG1 ILE A 103 -0.064 -0.508 3.717 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.042 -2.883 4.604 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.463 -0.421 3.713 1.00 0.00 C ATOM 0 H ILE A 103 -2.740 -1.379 6.799 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.415 -1.080 3.887 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.210 -1.112 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.416 -0.828 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.487 0.479 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.130 -2.813 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.268 -3.522 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.309 -3.310 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.785 0.281 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.810 -0.077 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.883 -1.405 3.505 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.750 -3.540 3.638 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.267 -4.891 3.500 1.00 0.00 C ATOM 1521 C CYS A 104 -2.441 -5.615 2.435 1.00 0.00 C ATOM 1522 O CYS A 104 -2.793 -5.606 1.257 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.760 -4.894 3.163 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.335 -6.608 2.881 1.00 0.00 S ATOM 0 H CYS A 104 -2.486 -3.093 2.760 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.175 -5.417 4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.326 -4.441 3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.942 -4.290 2.274 1.00 0.00 H new ATOM 0 HG CYS A 104 -4.815 -7.393 3.777 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.356 -6.226 2.889 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.476 -6.955 1.991 1.00 0.00 C ATOM 1532 C VAL A 105 -0.612 -8.455 2.255 1.00 0.00 C ATOM 1533 O VAL A 105 -1.157 -8.861 3.281 1.00 0.00 O ATOM 1534 CB VAL A 105 0.960 -6.449 2.142 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.210 -5.924 3.557 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.966 -7.542 1.777 1.00 0.00 C ATOM 0 H VAL A 105 -1.066 -6.231 3.867 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.761 -6.782 0.953 1.00 0.00 H new ATOM 0 HB VAL A 105 1.099 -5.620 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.238 -5.570 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.526 -5.102 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.044 -6.725 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.979 -7.157 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.826 -8.400 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.810 -7.849 0.743 1.00 0.00 H new ATOM 1546 N ARG A 106 -0.110 -9.238 1.311 1.00 0.00 N ATOM 1547 CA ARG A 106 -0.170 -10.685 1.429 1.00 0.00 C ATOM 1548 C ARG A 106 1.151 -11.227 1.977 1.00 0.00 C ATOM 1549 O ARG A 106 2.222 -10.744 1.616 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.458 -11.336 0.074 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.156 -12.836 0.113 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.422 -13.484 -1.248 1.00 0.00 C ATOM 1553 NE ARG A 106 0.137 -12.640 -2.328 1.00 0.00 N ATOM 1554 CZ ARG A 106 -0.281 -12.674 -3.601 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.264 -13.511 -3.961 1.00 0.00 N ATOM 1556 NH2 ARG A 106 0.283 -11.872 -4.514 1.00 0.00 N ATOM 0 H ARG A 106 0.340 -8.898 0.461 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.980 -10.929 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.502 -11.178 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.146 -10.859 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.884 -12.994 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.771 -13.315 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.027 -14.477 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.494 -13.614 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 106 0.887 -11.992 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.694 -14.122 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.582 -13.537 -4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.031 -11.235 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.036 -11.899 -5.483 1.00 0.00 H new ATOM 1570 N LEU A 107 1.031 -12.225 2.842 1.00 0.00 N ATOM 1571 CA LEU A 107 2.201 -12.839 3.444 1.00 0.00 C ATOM 1572 C LEU A 107 2.935 -13.671 2.390 1.00 0.00 C ATOM 1573 O LEU A 107 3.694 -13.133 1.585 1.00 0.00 O ATOM 1574 CB LEU A 107 1.810 -13.632 4.691 1.00 0.00 C ATOM 1575 CG LEU A 107 1.519 -12.809 5.947 1.00 0.00 C ATOM 1576 CD1 LEU A 107 0.960 -13.690 7.065 1.00 0.00 C ATOM 1577 CD2 LEU A 107 2.761 -12.034 6.394 1.00 0.00 C ATOM 0 H LEU A 107 0.140 -12.623 3.140 1.00 0.00 H new ATOM 0 HA LEU A 107 2.897 -12.074 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.926 -14.226 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.614 -14.333 4.918 1.00 0.00 H new ATOM 0 HG LEU A 107 0.751 -12.075 5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.762 -13.079 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.033 -14.156 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.686 -14.464 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.527 -11.457 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.567 -12.734 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.074 -11.358 5.598 1.00 0.00 H new ATOM 1589 N ASP A 108 2.683 -14.971 2.429 1.00 0.00 N ATOM 1590 CA ASP A 108 3.309 -15.884 1.488 1.00 0.00 C ATOM 1591 C ASP A 108 3.268 -15.271 0.086 1.00 0.00 C ATOM 1592 O ASP A 108 2.548 -14.302 -0.151 1.00 0.00 O ATOM 1593 CB ASP A 108 2.567 -17.221 1.441 1.00 0.00 C ATOM 1594 CG ASP A 108 3.034 -18.256 2.466 1.00 0.00 C ATOM 1595 OD1 ASP A 108 3.808 -17.857 3.363 1.00 0.00 O ATOM 1596 OD2 ASP A 108 2.608 -19.423 2.329 1.00 0.00 O ATOM 0 H ASP A 108 2.053 -15.414 3.098 1.00 0.00 H new ATOM 0 HA ASP A 108 4.335 -16.053 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.504 -17.035 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.676 -17.645 0.443 1.00 0.00 H new ATOM 1601 N LEU A 109 4.051 -15.860 -0.806 1.00 0.00 N ATOM 1602 CA LEU A 109 4.113 -15.385 -2.178 1.00 0.00 C ATOM 1603 C LEU A 109 4.800 -14.018 -2.207 1.00 0.00 C ATOM 1604 O LEU A 109 4.857 -13.326 -1.193 1.00 0.00 O ATOM 1605 CB LEU A 109 2.720 -15.386 -2.808 1.00 0.00 C ATOM 1606 CG LEU A 109 2.659 -15.054 -4.301 1.00 0.00 C ATOM 1607 CD1 LEU A 109 1.525 -15.818 -4.987 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.549 -13.544 -4.522 1.00 0.00 C ATOM 0 H LEU A 109 4.648 -16.662 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 109 4.714 -16.059 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.275 -16.369 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.099 -14.669 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 109 3.591 -15.380 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.504 -15.564 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.688 -16.890 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.574 -15.545 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.507 -13.335 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.643 -13.171 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.418 -13.049 -4.089 1.00 0.00 H new ATOM 1620 N ASN A 110 5.306 -13.672 -3.382 1.00 0.00 N ATOM 1621 CA ASN A 110 5.988 -12.401 -3.558 1.00 0.00 C ATOM 1622 C ASN A 110 6.305 -12.197 -5.041 1.00 0.00 C ATOM 1623 O ASN A 110 6.737 -13.128 -5.719 1.00 0.00 O ATOM 1624 CB ASN A 110 7.306 -12.371 -2.784 1.00 0.00 C ATOM 1625 CG ASN A 110 7.886 -10.955 -2.742 1.00 0.00 C ATOM 1626 OD1 ASN A 110 7.298 -10.032 -2.204 1.00 0.00 O ATOM 1627 ND2 ASN A 110 9.069 -10.838 -3.338 1.00 0.00 N ATOM 0 H ASN A 110 5.257 -14.250 -4.221 1.00 0.00 H new ATOM 0 HA ASN A 110 5.333 -11.613 -3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.143 -12.731 -1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.022 -13.047 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 110 9.540 -9.934 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.506 -11.653 -3.769 1.00 0.00 H new ATOM 1634 N MET A 111 6.077 -10.976 -5.500 1.00 0.00 N ATOM 1635 CA MET A 111 6.332 -10.640 -6.890 1.00 0.00 C ATOM 1636 C MET A 111 7.831 -10.679 -7.197 1.00 0.00 C ATOM 1637 O MET A 111 8.539 -9.697 -6.979 1.00 0.00 O ATOM 1638 CB MET A 111 5.788 -9.240 -7.186 1.00 0.00 C ATOM 1639 CG MET A 111 4.274 -9.275 -7.398 1.00 0.00 C ATOM 1640 SD MET A 111 3.855 -8.477 -8.940 1.00 0.00 S ATOM 1641 CE MET A 111 2.801 -7.169 -8.335 1.00 0.00 C ATOM 0 H MET A 111 5.718 -10.207 -4.934 1.00 0.00 H new ATOM 0 HA MET A 111 5.831 -11.375 -7.519 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.028 -8.570 -6.360 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.274 -8.837 -8.075 1.00 0.00 H new ATOM 0 HG2 MET A 111 3.923 -10.307 -7.406 1.00 0.00 H new ATOM 0 HG3 MET A 111 3.771 -8.774 -6.571 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.092 -6.884 -9.112 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.257 -7.517 -7.457 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.410 -6.306 -8.066 1.00 0.00 H new