USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 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 55 SER OG : rot -170:sc= 0.678 USER MOD Set 1.2: A 83 THR OG1 : rot 97:sc= 0.858 USER MOD Set 2.1: A 29 MET CE :methyl 145:sc= -0.151 (180deg=0) USER MOD Set 2.2: A 32 THR OG1 : rot 140:sc= -0.0457 USER MOD Single : A 8 SER OG : rot 180:sc= -0.122 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 46 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.0045) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.2!) USER MOD Single : A 64 MET CE :methyl -165:sc= -0.107 (180deg=-0.348) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.951 USER MOD Single : A 66 HIS : no HE2:sc= -4.49! C(o=-4.5!,f=-8!) USER MOD Single : A 70 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.5) USER MOD Single : A 71 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -17:sc= 0.359 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -155:sc= -1.32 (180deg=-3.14!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.245 -5.098 14.343 1.00 0.00 N ATOM 60 CA GLY A 7 -2.835 -5.334 14.605 1.00 0.00 C ATOM 61 C GLY A 7 -1.957 -4.575 13.609 1.00 0.00 C ATOM 62 O GLY A 7 -2.313 -4.440 12.439 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.593 -5.021 15.621 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.624 -6.401 14.542 1.00 0.00 H new ATOM 66 N SER A 8 -0.826 -4.099 14.108 1.00 0.00 N ATOM 67 CA SER A 8 0.106 -3.356 13.276 1.00 0.00 C ATOM 68 C SER A 8 1.246 -4.271 12.823 1.00 0.00 C ATOM 69 O SER A 8 1.472 -5.326 13.414 1.00 0.00 O ATOM 70 CB SER A 8 0.664 -2.143 14.022 1.00 0.00 C ATOM 71 OG SER A 8 1.626 -1.435 13.246 1.00 0.00 O ATOM 0 H SER A 8 -0.533 -4.213 15.078 1.00 0.00 H new ATOM 0 HA SER A 8 -0.431 -2.994 12.400 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.154 -1.472 14.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.121 -2.471 14.956 1.00 0.00 H new ATOM 0 HG SER A 8 1.957 -0.667 13.757 1.00 0.00 H new ATOM 77 N VAL A 9 1.934 -3.833 11.779 1.00 0.00 N ATOM 78 CA VAL A 9 3.045 -4.599 11.240 1.00 0.00 C ATOM 79 C VAL A 9 4.263 -3.686 11.092 1.00 0.00 C ATOM 80 O VAL A 9 4.141 -2.464 11.168 1.00 0.00 O ATOM 81 CB VAL A 9 2.632 -5.264 9.926 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.938 -4.264 8.999 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.837 -5.907 9.235 1.00 0.00 C ATOM 0 H VAL A 9 1.744 -2.957 11.292 1.00 0.00 H new ATOM 0 HA VAL A 9 3.323 -5.403 11.922 1.00 0.00 H new ATOM 0 HB VAL A 9 1.918 -6.054 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.655 -4.763 8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.046 -3.873 9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.618 -3.442 8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.516 -6.373 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.584 -5.143 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.270 -6.664 9.889 1.00 0.00 H new ATOM 93 N SER A 10 5.411 -4.314 10.882 1.00 0.00 N ATOM 94 CA SER A 10 6.651 -3.573 10.722 1.00 0.00 C ATOM 95 C SER A 10 7.483 -4.183 9.592 1.00 0.00 C ATOM 96 O SER A 10 7.870 -5.349 9.661 1.00 0.00 O ATOM 97 CB SER A 10 7.455 -3.557 12.023 1.00 0.00 C ATOM 98 OG SER A 10 8.698 -2.876 11.875 1.00 0.00 O ATOM 0 H SER A 10 5.508 -5.327 10.819 1.00 0.00 H new ATOM 0 HA SER A 10 6.403 -2.543 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.869 -3.075 12.805 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.639 -4.581 12.348 1.00 0.00 H new ATOM 0 HG SER A 10 9.180 -2.886 12.728 1.00 0.00 H new ATOM 104 N LEU A 11 7.732 -3.368 8.577 1.00 0.00 N ATOM 105 CA LEU A 11 8.511 -3.813 7.434 1.00 0.00 C ATOM 106 C LEU A 11 9.881 -3.132 7.459 1.00 0.00 C ATOM 107 O LEU A 11 10.010 -2.008 7.943 1.00 0.00 O ATOM 108 CB LEU A 11 7.734 -3.585 6.136 1.00 0.00 C ATOM 109 CG LEU A 11 6.285 -4.074 6.126 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.540 -3.557 4.894 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.220 -5.599 6.237 1.00 0.00 C ATOM 0 H LEU A 11 7.408 -2.402 8.523 1.00 0.00 H new ATOM 0 HA LEU A 11 8.688 -4.887 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.738 -2.517 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.269 -4.079 5.325 1.00 0.00 H new ATOM 0 HG LEU A 11 5.781 -3.665 7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.512 -3.919 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.541 -2.467 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.036 -3.916 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.179 -5.920 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.746 -6.048 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.689 -5.916 7.168 1.00 0.00 H new ATOM 123 N VAL A 12 10.868 -3.841 6.933 1.00 0.00 N ATOM 124 CA VAL A 12 12.224 -3.319 6.889 1.00 0.00 C ATOM 125 C VAL A 12 12.656 -3.158 5.430 1.00 0.00 C ATOM 126 O VAL A 12 12.936 -4.144 4.750 1.00 0.00 O ATOM 127 CB VAL A 12 13.159 -4.223 7.694 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.108 -5.662 7.178 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.591 -3.684 7.676 1.00 0.00 C ATOM 0 H VAL A 12 10.757 -4.773 6.533 1.00 0.00 H new ATOM 0 HA VAL A 12 12.270 -2.333 7.352 1.00 0.00 H new ATOM 0 HB VAL A 12 12.815 -4.226 8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.782 -6.284 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.091 -6.044 7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.415 -5.685 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.236 -4.345 8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.949 -3.638 6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.609 -2.685 8.112 1.00 0.00 H new ATOM 139 N GLY A 13 12.698 -1.908 4.993 1.00 0.00 N ATOM 140 CA GLY A 13 13.092 -1.605 3.627 1.00 0.00 C ATOM 141 C GLY A 13 13.140 -0.094 3.392 1.00 0.00 C ATOM 142 O GLY A 13 12.471 0.667 4.089 1.00 0.00 O ATOM 0 H GLY A 13 12.466 -1.093 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.070 -2.040 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.388 -2.062 2.932 1.00 0.00 H new ATOM 146 N PRO A 14 13.959 0.305 2.383 1.00 0.00 N ATOM 147 CA PRO A 14 14.104 1.711 2.047 1.00 0.00 C ATOM 148 C PRO A 14 12.873 2.225 1.298 1.00 0.00 C ATOM 149 O PRO A 14 12.761 3.419 1.026 1.00 0.00 O ATOM 150 CB PRO A 14 15.377 1.790 1.221 1.00 0.00 C ATOM 151 CG PRO A 14 15.646 0.375 0.734 1.00 0.00 C ATOM 152 CD PRO A 14 14.767 -0.570 1.536 1.00 0.00 C ATOM 0 HA PRO A 14 14.177 2.348 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.256 2.476 0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.209 2.162 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.426 0.290 -0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.698 0.120 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.141 -1.178 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.366 -1.257 2.134 1.00 0.00 H new ATOM 160 N ALA A 15 11.979 1.298 0.986 1.00 0.00 N ATOM 161 CA ALA A 15 10.760 1.642 0.274 1.00 0.00 C ATOM 162 C ALA A 15 10.164 0.378 -0.348 1.00 0.00 C ATOM 163 O ALA A 15 8.975 0.104 -0.188 1.00 0.00 O ATOM 164 CB ALA A 15 11.066 2.718 -0.770 1.00 0.00 C ATOM 0 H ALA A 15 12.075 0.308 1.214 1.00 0.00 H new ATOM 0 HA ALA A 15 10.018 2.053 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.152 2.977 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.459 3.605 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.805 2.340 -1.476 1.00 0.00 H new ATOM 170 N PRO A 16 11.039 -0.378 -1.064 1.00 0.00 N ATOM 171 CA PRO A 16 10.611 -1.607 -1.711 1.00 0.00 C ATOM 172 C PRO A 16 10.424 -2.729 -0.688 1.00 0.00 C ATOM 173 O PRO A 16 11.267 -3.618 -0.575 1.00 0.00 O ATOM 174 CB PRO A 16 11.693 -1.910 -2.735 1.00 0.00 C ATOM 175 CG PRO A 16 12.909 -1.104 -2.306 1.00 0.00 C ATOM 176 CD PRO A 16 12.453 -0.085 -1.275 1.00 0.00 C ATOM 0 HA PRO A 16 9.639 -1.511 -2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.920 -2.976 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.372 -1.629 -3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.671 -1.759 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.358 -0.604 -3.164 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.019 -0.179 -0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.597 0.934 -1.635 1.00 0.00 H new ATOM 184 N TRP A 17 9.314 -2.652 0.031 1.00 0.00 N ATOM 185 CA TRP A 17 9.006 -3.650 1.041 1.00 0.00 C ATOM 186 C TRP A 17 8.649 -4.953 0.324 1.00 0.00 C ATOM 187 O TRP A 17 8.781 -6.036 0.893 1.00 0.00 O ATOM 188 CB TRP A 17 7.899 -3.160 1.977 1.00 0.00 C ATOM 189 CG TRP A 17 7.926 -1.652 2.236 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.317 -0.684 1.538 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.625 -0.976 3.302 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.571 0.562 2.074 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.392 0.379 3.181 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.427 -1.491 4.335 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.925 1.331 4.059 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.953 -0.527 5.204 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.728 0.840 5.095 1.00 0.00 C ATOM 0 H TRP A 17 8.617 -1.914 -0.066 1.00 0.00 H new ATOM 0 HA TRP A 17 9.870 -3.830 1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.932 -3.428 1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.984 -3.684 2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.704 -0.857 0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.221 1.453 1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.622 -2.547 4.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.727 2.386 3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.577 -0.870 6.016 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.171 1.521 5.807 1.00 0.00 H new ATOM 208 N GLY A 18 8.203 -4.807 -0.915 1.00 0.00 N ATOM 209 CA GLY A 18 7.825 -5.959 -1.716 1.00 0.00 C ATOM 210 C GLY A 18 6.304 -6.077 -1.824 1.00 0.00 C ATOM 211 O GLY A 18 5.776 -7.166 -2.045 1.00 0.00 O ATOM 0 H GLY A 18 8.095 -3.908 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.258 -5.871 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.233 -6.866 -1.270 1.00 0.00 H new ATOM 215 N PHE A 19 5.641 -4.941 -1.663 1.00 0.00 N ATOM 216 CA PHE A 19 4.191 -4.903 -1.740 1.00 0.00 C ATOM 217 C PHE A 19 3.709 -3.598 -2.377 1.00 0.00 C ATOM 218 O PHE A 19 4.391 -2.577 -2.301 1.00 0.00 O ATOM 219 CB PHE A 19 3.664 -4.981 -0.306 1.00 0.00 C ATOM 220 CG PHE A 19 3.674 -3.642 0.434 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.837 -2.644 0.044 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.520 -3.450 1.482 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.846 -1.401 0.731 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.529 -2.207 2.169 1.00 0.00 C ATOM 225 CZ PHE A 19 3.691 -1.209 1.779 1.00 0.00 C ATOM 0 H PHE A 19 6.082 -4.040 -1.479 1.00 0.00 H new ATOM 0 HA PHE A 19 3.830 -5.730 -2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.645 -5.366 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.266 -5.698 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.165 -2.796 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.185 -4.243 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.182 -0.608 0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.201 -2.054 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.697 -0.264 2.302 1.00 0.00 H new ATOM 235 N ARG A 20 2.537 -3.674 -2.991 1.00 0.00 N ATOM 236 CA ARG A 20 1.956 -2.511 -3.641 1.00 0.00 C ATOM 237 C ARG A 20 0.629 -2.140 -2.976 1.00 0.00 C ATOM 238 O ARG A 20 0.159 -2.844 -2.084 1.00 0.00 O ATOM 239 CB ARG A 20 1.718 -2.773 -5.129 1.00 0.00 C ATOM 240 CG ARG A 20 3.030 -2.709 -5.914 1.00 0.00 C ATOM 241 CD ARG A 20 2.990 -1.592 -6.959 1.00 0.00 C ATOM 242 NE ARG A 20 3.345 -0.300 -6.332 1.00 0.00 N ATOM 243 CZ ARG A 20 3.602 0.822 -7.017 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.546 0.817 -8.356 1.00 0.00 N ATOM 245 NH2 ARG A 20 3.916 1.950 -6.364 1.00 0.00 N ATOM 0 H ARG A 20 1.974 -4.522 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 20 2.661 -1.686 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.259 -3.753 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.018 -2.037 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.860 -2.541 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.211 -3.665 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.684 -1.815 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.995 -1.531 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 20 3.397 -0.261 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.308 -0.041 -8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.742 1.671 -8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.959 1.954 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.112 2.804 -6.886 1.00 0.00 H new ATOM 259 N LEU A 21 0.062 -1.035 -3.438 1.00 0.00 N ATOM 260 CA LEU A 21 -1.202 -0.561 -2.900 1.00 0.00 C ATOM 261 C LEU A 21 -2.107 -0.117 -4.050 1.00 0.00 C ATOM 262 O LEU A 21 -1.625 0.374 -5.070 1.00 0.00 O ATOM 263 CB LEU A 21 -0.964 0.525 -1.849 1.00 0.00 C ATOM 264 CG LEU A 21 -0.448 0.044 -0.492 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.199 1.225 0.450 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.397 -0.987 0.121 1.00 0.00 C ATOM 0 H LEU A 21 0.455 -0.454 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.720 -1.367 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.250 1.243 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.900 1.060 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 21 0.510 -0.452 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.167 0.855 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.543 1.891 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.130 1.770 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.007 -1.313 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.381 -0.539 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.481 -1.846 -0.545 1.00 0.00 H new ATOM 278 N GLN A 22 -3.403 -0.304 -3.848 1.00 0.00 N ATOM 279 CA GLN A 22 -4.380 0.071 -4.857 1.00 0.00 C ATOM 280 C GLN A 22 -5.645 0.617 -4.192 1.00 0.00 C ATOM 281 O GLN A 22 -6.001 0.201 -3.091 1.00 0.00 O ATOM 282 CB GLN A 22 -4.707 -1.112 -5.770 1.00 0.00 C ATOM 283 CG GLN A 22 -5.116 -2.339 -4.954 1.00 0.00 C ATOM 284 CD GLN A 22 -5.541 -3.489 -5.868 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.823 -3.312 -7.042 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.573 -4.675 -5.267 1.00 0.00 N ATOM 0 H GLN A 22 -3.800 -0.710 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.950 0.858 -5.477 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.513 -0.838 -6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.839 -1.352 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.283 -2.657 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.937 -2.079 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.325 -4.754 -4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.846 -5.506 -5.792 1.00 0.00 H new ATOM 295 N GLY A 23 -6.290 1.541 -4.890 1.00 0.00 N ATOM 296 CA GLY A 23 -7.508 2.149 -4.381 1.00 0.00 C ATOM 297 C GLY A 23 -7.247 3.576 -3.896 1.00 0.00 C ATOM 298 O GLY A 23 -6.245 4.187 -4.262 1.00 0.00 O ATOM 0 H GLY A 23 -5.992 1.883 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.267 2.160 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.903 1.549 -3.561 1.00 0.00 H new ATOM 302 N GLY A 24 -8.168 4.066 -3.079 1.00 0.00 N ATOM 303 CA GLY A 24 -8.051 5.411 -2.540 1.00 0.00 C ATOM 304 C GLY A 24 -9.325 6.218 -2.797 1.00 0.00 C ATOM 305 O GLY A 24 -10.169 5.814 -3.596 1.00 0.00 O ATOM 0 H GLY A 24 -8.998 3.556 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.858 5.362 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.199 5.916 -2.995 1.00 0.00 H new ATOM 309 N LYS A 25 -9.424 7.343 -2.105 1.00 0.00 N ATOM 310 CA LYS A 25 -10.582 8.210 -2.248 1.00 0.00 C ATOM 311 C LYS A 25 -10.798 8.524 -3.730 1.00 0.00 C ATOM 312 O LYS A 25 -11.930 8.518 -4.211 1.00 0.00 O ATOM 313 CB LYS A 25 -10.430 9.455 -1.372 1.00 0.00 C ATOM 314 CG LYS A 25 -11.702 9.714 -0.562 1.00 0.00 C ATOM 315 CD LYS A 25 -11.402 10.568 0.671 1.00 0.00 C ATOM 316 CE LYS A 25 -11.555 12.058 0.357 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.792 12.592 0.968 1.00 0.00 N ATOM 0 H LYS A 25 -8.722 7.675 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.481 7.706 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.584 9.328 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.211 10.320 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.439 10.218 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.141 8.765 -0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.077 10.292 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.388 10.368 1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.691 12.606 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.582 12.207 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.880 13.604 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.615 12.081 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.752 12.467 2.000 1.00 0.00 H new ATOM 331 N ASP A 26 -9.694 8.790 -4.413 1.00 0.00 N ATOM 332 CA ASP A 26 -9.749 9.105 -5.831 1.00 0.00 C ATOM 333 C ASP A 26 -10.259 7.885 -6.601 1.00 0.00 C ATOM 334 O ASP A 26 -10.917 8.026 -7.630 1.00 0.00 O ATOM 335 CB ASP A 26 -8.362 9.459 -6.370 1.00 0.00 C ATOM 336 CG ASP A 26 -8.292 9.672 -7.884 1.00 0.00 C ATOM 337 OD1 ASP A 26 -9.368 9.912 -8.474 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.164 9.589 -8.417 1.00 0.00 O ATOM 0 H ASP A 26 -8.757 8.794 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.415 9.958 -5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.017 10.366 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.669 8.663 -6.098 1.00 0.00 H new ATOM 343 N PHE A 27 -9.935 6.714 -6.072 1.00 0.00 N ATOM 344 CA PHE A 27 -10.351 5.470 -6.697 1.00 0.00 C ATOM 345 C PHE A 27 -11.746 5.058 -6.223 1.00 0.00 C ATOM 346 O PHE A 27 -12.404 4.236 -6.858 1.00 0.00 O ATOM 347 CB PHE A 27 -9.345 4.398 -6.274 1.00 0.00 C ATOM 348 CG PHE A 27 -8.009 4.471 -7.016 1.00 0.00 C ATOM 349 CD1 PHE A 27 -7.271 5.613 -6.978 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.559 3.394 -7.714 1.00 0.00 C ATOM 351 CE1 PHE A 27 -6.031 5.680 -7.667 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.320 3.461 -8.403 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.582 4.603 -8.365 1.00 0.00 C ATOM 0 H PHE A 27 -9.389 6.601 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.385 5.591 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.160 4.490 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.787 3.415 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.628 6.469 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.145 2.487 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.445 6.586 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.963 2.606 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.639 4.654 -8.889 1.00 0.00 H new ATOM 363 N ASN A 28 -12.157 5.650 -5.110 1.00 0.00 N ATOM 364 CA ASN A 28 -13.462 5.355 -4.543 1.00 0.00 C ATOM 365 C ASN A 28 -13.435 3.962 -3.910 1.00 0.00 C ATOM 366 O ASN A 28 -14.379 3.188 -4.063 1.00 0.00 O ATOM 367 CB ASN A 28 -14.545 5.362 -5.623 1.00 0.00 C ATOM 368 CG ASN A 28 -15.859 5.927 -5.078 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.218 5.734 -3.928 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.553 6.634 -5.966 1.00 0.00 N ATOM 0 H ASN A 28 -11.609 6.332 -4.586 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.688 6.120 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -14.213 5.959 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.705 4.348 -5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.444 7.053 -5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.194 6.757 -6.913 1.00 0.00 H new ATOM 377 N MET A 29 -12.344 3.686 -3.211 1.00 0.00 N ATOM 378 CA MET A 29 -12.182 2.400 -2.553 1.00 0.00 C ATOM 379 C MET A 29 -11.111 2.473 -1.463 1.00 0.00 C ATOM 380 O MET A 29 -10.327 3.420 -1.420 1.00 0.00 O ATOM 381 CB MET A 29 -11.786 1.344 -3.587 1.00 0.00 C ATOM 382 CG MET A 29 -10.266 1.275 -3.746 1.00 0.00 C ATOM 383 SD MET A 29 -9.839 0.105 -5.025 1.00 0.00 S ATOM 384 CE MET A 29 -9.174 -1.217 -4.026 1.00 0.00 C ATOM 0 H MET A 29 -11.563 4.331 -3.086 1.00 0.00 H new ATOM 0 HA MET A 29 -13.130 2.129 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.168 0.370 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.245 1.580 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.873 2.260 -3.997 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.806 0.979 -2.803 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.426 -2.176 -4.478 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.090 -1.118 -3.966 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.599 -1.165 -3.024 1.00 0.00 H new ATOM 394 N PRO A 30 -11.113 1.434 -0.586 1.00 0.00 N ATOM 395 CA PRO A 30 -10.151 1.372 0.502 1.00 0.00 C ATOM 396 C PRO A 30 -8.765 0.980 -0.013 1.00 0.00 C ATOM 397 O PRO A 30 -8.644 0.358 -1.068 1.00 0.00 O ATOM 398 CB PRO A 30 -10.729 0.362 1.480 1.00 0.00 C ATOM 399 CG PRO A 30 -11.749 -0.444 0.693 1.00 0.00 C ATOM 400 CD PRO A 30 -12.026 0.296 -0.606 1.00 0.00 C ATOM 0 HA PRO A 30 -10.002 2.337 0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.948 -0.283 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.197 0.863 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.369 -1.445 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.667 -0.563 1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.845 -0.342 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.064 0.622 -0.662 1.00 0.00 H new ATOM 408 N LEU A 31 -7.754 1.359 0.755 1.00 0.00 N ATOM 409 CA LEU A 31 -6.381 1.055 0.389 1.00 0.00 C ATOM 410 C LEU A 31 -6.101 -0.425 0.661 1.00 0.00 C ATOM 411 O LEU A 31 -6.050 -0.849 1.814 1.00 0.00 O ATOM 412 CB LEU A 31 -5.415 2.004 1.100 1.00 0.00 C ATOM 413 CG LEU A 31 -5.328 3.422 0.532 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.161 4.452 1.651 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.215 3.527 -0.513 1.00 0.00 C ATOM 0 H LEU A 31 -7.858 1.874 1.629 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.226 1.219 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.708 2.071 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.419 1.562 1.075 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.267 3.645 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.102 5.451 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.015 4.398 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.247 4.241 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.175 4.545 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.259 3.276 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.417 2.835 -1.331 1.00 0.00 H new ATOM 427 N THR A 32 -5.928 -1.169 -0.421 1.00 0.00 N ATOM 428 CA THR A 32 -5.655 -2.592 -0.314 1.00 0.00 C ATOM 429 C THR A 32 -4.280 -2.917 -0.902 1.00 0.00 C ATOM 430 O THR A 32 -3.667 -2.077 -1.559 1.00 0.00 O ATOM 431 CB THR A 32 -6.800 -3.346 -0.993 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.260 -2.446 -1.998 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.009 -3.528 -0.073 1.00 0.00 C ATOM 0 H THR A 32 -5.972 -0.813 -1.376 1.00 0.00 H new ATOM 0 HA THR A 32 -5.611 -2.909 0.728 1.00 0.00 H new ATOM 0 HB THR A 32 -6.446 -4.323 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.469 -2.946 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.792 -4.069 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.712 -4.094 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.385 -2.551 0.231 1.00 0.00 H new ATOM 441 N ILE A 33 -3.836 -4.139 -0.646 1.00 0.00 N ATOM 442 CA ILE A 33 -2.545 -4.585 -1.141 1.00 0.00 C ATOM 443 C ILE A 33 -2.672 -4.953 -2.621 1.00 0.00 C ATOM 444 O ILE A 33 -3.177 -6.023 -2.957 1.00 0.00 O ATOM 445 CB ILE A 33 -1.999 -5.718 -0.270 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.874 -5.276 1.189 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.675 -6.247 -0.825 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.705 -4.305 1.370 1.00 0.00 C ATOM 0 H ILE A 33 -4.348 -4.834 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.812 -3.781 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.711 -6.543 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.800 -4.799 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.728 -6.149 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.309 -7.051 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.830 -6.626 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.058 -5.440 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.639 -4.006 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.223 -4.793 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.866 -3.423 0.750 1.00 0.00 H new ATOM 460 N SER A 34 -2.204 -4.046 -3.466 1.00 0.00 N ATOM 461 CA SER A 34 -2.259 -4.262 -4.902 1.00 0.00 C ATOM 462 C SER A 34 -1.679 -5.635 -5.247 1.00 0.00 C ATOM 463 O SER A 34 -2.370 -6.480 -5.813 1.00 0.00 O ATOM 464 CB SER A 34 -1.504 -3.163 -5.653 1.00 0.00 C ATOM 465 OG SER A 34 -0.846 -3.665 -6.813 1.00 0.00 O ATOM 0 H SER A 34 -1.785 -3.160 -3.184 1.00 0.00 H new ATOM 0 HA SER A 34 -3.303 -4.227 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.201 -2.377 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.770 -2.708 -4.988 1.00 0.00 H new ATOM 0 HG SER A 34 -0.377 -2.933 -7.266 1.00 0.00 H new ATOM 471 N SER A 35 -0.415 -5.815 -4.891 1.00 0.00 N ATOM 472 CA SER A 35 0.265 -7.071 -5.155 1.00 0.00 C ATOM 473 C SER A 35 1.360 -7.303 -4.112 1.00 0.00 C ATOM 474 O SER A 35 1.595 -6.454 -3.254 1.00 0.00 O ATOM 475 CB SER A 35 0.863 -7.088 -6.564 1.00 0.00 C ATOM 476 OG SER A 35 0.158 -7.971 -7.432 1.00 0.00 O ATOM 0 H SER A 35 0.156 -5.112 -4.422 1.00 0.00 H new ATOM 0 HA SER A 35 -0.467 -7.876 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.844 -6.080 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.909 -7.390 -6.510 1.00 0.00 H new ATOM 0 HG SER A 35 0.569 -7.952 -8.322 1.00 0.00 H new ATOM 482 N LEU A 36 2.000 -8.458 -4.219 1.00 0.00 N ATOM 483 CA LEU A 36 3.064 -8.813 -3.296 1.00 0.00 C ATOM 484 C LEU A 36 4.255 -9.363 -4.083 1.00 0.00 C ATOM 485 O LEU A 36 4.078 -9.987 -5.129 1.00 0.00 O ATOM 486 CB LEU A 36 2.544 -9.770 -2.221 1.00 0.00 C ATOM 487 CG LEU A 36 2.644 -9.274 -0.777 1.00 0.00 C ATOM 488 CD1 LEU A 36 4.032 -8.700 -0.489 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.532 -8.270 -0.463 1.00 0.00 C ATOM 0 H LEU A 36 1.802 -9.160 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 36 3.414 -7.930 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.499 -9.993 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.093 -10.708 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 36 2.504 -10.127 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.076 -8.355 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.785 -9.472 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.226 -7.863 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.626 -7.934 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.615 -7.414 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.562 -8.747 -0.602 1.00 0.00 H new ATOM 501 N LYS A 37 5.442 -9.110 -3.552 1.00 0.00 N ATOM 502 CA LYS A 37 6.662 -9.572 -4.192 1.00 0.00 C ATOM 503 C LYS A 37 7.041 -10.944 -3.630 1.00 0.00 C ATOM 504 O LYS A 37 7.029 -11.146 -2.417 1.00 0.00 O ATOM 505 CB LYS A 37 7.769 -8.524 -4.055 1.00 0.00 C ATOM 506 CG LYS A 37 9.112 -9.080 -4.531 1.00 0.00 C ATOM 507 CD LYS A 37 9.638 -8.290 -5.732 1.00 0.00 C ATOM 508 CE LYS A 37 9.559 -9.122 -7.013 1.00 0.00 C ATOM 509 NZ LYS A 37 10.126 -8.371 -8.155 1.00 0.00 N ATOM 0 H LYS A 37 5.585 -8.591 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 37 6.505 -9.699 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.511 -7.639 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.850 -8.209 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.836 -9.037 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.999 -10.130 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.058 -7.375 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.671 -7.991 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.102 -10.058 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.521 -9.383 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.064 -8.950 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.591 -7.490 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.122 -8.144 -7.961 1.00 0.00 H new ATOM 523 N ASP A 38 7.367 -11.851 -4.539 1.00 0.00 N ATOM 524 CA ASP A 38 7.748 -13.198 -4.149 1.00 0.00 C ATOM 525 C ASP A 38 8.714 -13.127 -2.964 1.00 0.00 C ATOM 526 O ASP A 38 9.795 -12.551 -3.074 1.00 0.00 O ATOM 527 CB ASP A 38 8.457 -13.923 -5.294 1.00 0.00 C ATOM 528 CG ASP A 38 7.666 -15.072 -5.920 1.00 0.00 C ATOM 529 OD1 ASP A 38 6.668 -15.485 -5.289 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.075 -15.513 -7.015 1.00 0.00 O ATOM 0 H ASP A 38 7.375 -11.680 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 38 6.841 -13.742 -3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.693 -13.198 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.405 -14.314 -4.925 1.00 0.00 H new ATOM 535 N GLY A 39 8.288 -13.720 -1.858 1.00 0.00 N ATOM 536 CA GLY A 39 9.102 -13.732 -0.655 1.00 0.00 C ATOM 537 C GLY A 39 9.417 -12.308 -0.193 1.00 0.00 C ATOM 538 O GLY A 39 10.550 -12.009 0.182 1.00 0.00 O ATOM 0 H GLY A 39 7.390 -14.195 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.579 -14.268 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.030 -14.270 -0.845 1.00 0.00 H new ATOM 542 N GLY A 40 8.395 -11.466 -0.234 1.00 0.00 N ATOM 543 CA GLY A 40 8.549 -10.080 0.176 1.00 0.00 C ATOM 544 C GLY A 40 8.231 -9.910 1.663 1.00 0.00 C ATOM 545 O GLY A 40 7.546 -10.743 2.254 1.00 0.00 O ATOM 0 H GLY A 40 7.456 -11.717 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.569 -9.750 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.888 -9.446 -0.416 1.00 0.00 H new ATOM 549 N LYS A 41 8.743 -8.825 2.224 1.00 0.00 N ATOM 550 CA LYS A 41 8.523 -8.534 3.630 1.00 0.00 C ATOM 551 C LYS A 41 7.040 -8.723 3.959 1.00 0.00 C ATOM 552 O LYS A 41 6.681 -9.605 4.738 1.00 0.00 O ATOM 553 CB LYS A 41 9.058 -7.144 3.981 1.00 0.00 C ATOM 554 CG LYS A 41 10.580 -7.168 4.141 1.00 0.00 C ATOM 555 CD LYS A 41 11.269 -6.570 2.912 1.00 0.00 C ATOM 556 CE LYS A 41 12.152 -7.610 2.219 1.00 0.00 C ATOM 557 NZ LYS A 41 12.194 -7.364 0.760 1.00 0.00 N ATOM 0 H LYS A 41 9.310 -8.136 1.730 1.00 0.00 H new ATOM 0 HA LYS A 41 9.081 -9.231 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.782 -6.436 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.597 -6.795 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.865 -6.607 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.918 -8.194 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.518 -6.201 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.875 -5.714 3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.161 -7.571 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.767 -8.611 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.797 -8.078 0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.232 -7.424 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.582 -6.416 0.579 1.00 0.00 H new ATOM 571 N ALA A 42 6.220 -7.880 3.349 1.00 0.00 N ATOM 572 CA ALA A 42 4.785 -7.943 3.567 1.00 0.00 C ATOM 573 C ALA A 42 4.335 -9.405 3.555 1.00 0.00 C ATOM 574 O ALA A 42 3.622 -9.847 4.454 1.00 0.00 O ATOM 575 CB ALA A 42 4.070 -7.103 2.507 1.00 0.00 C ATOM 0 H ALA A 42 6.522 -7.150 2.704 1.00 0.00 H new ATOM 0 HA ALA A 42 4.526 -7.527 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.993 -7.150 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.403 -6.067 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.304 -7.492 1.516 1.00 0.00 H new ATOM 581 N SER A 43 4.770 -10.116 2.525 1.00 0.00 N ATOM 582 CA SER A 43 4.421 -11.519 2.383 1.00 0.00 C ATOM 583 C SER A 43 4.833 -12.290 3.638 1.00 0.00 C ATOM 584 O SER A 43 4.105 -13.168 4.099 1.00 0.00 O ATOM 585 CB SER A 43 5.081 -12.129 1.145 1.00 0.00 C ATOM 586 OG SER A 43 4.579 -13.431 0.858 1.00 0.00 O ATOM 0 H SER A 43 5.361 -9.746 1.781 1.00 0.00 H new ATOM 0 HA SER A 43 3.341 -11.591 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.912 -11.478 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.159 -12.182 1.298 1.00 0.00 H new ATOM 0 HG SER A 43 5.024 -13.785 0.060 1.00 0.00 H new ATOM 592 N GLN A 44 6.000 -11.935 4.156 1.00 0.00 N ATOM 593 CA GLN A 44 6.518 -12.583 5.349 1.00 0.00 C ATOM 594 C GLN A 44 5.903 -11.956 6.602 1.00 0.00 C ATOM 595 O GLN A 44 6.001 -12.517 7.693 1.00 0.00 O ATOM 596 CB GLN A 44 8.045 -12.511 5.393 1.00 0.00 C ATOM 597 CG GLN A 44 8.516 -11.455 6.395 1.00 0.00 C ATOM 598 CD GLN A 44 10.044 -11.410 6.466 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.739 -11.441 5.463 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.526 -11.333 7.703 1.00 0.00 N ATOM 0 H GLN A 44 6.602 -11.207 3.771 1.00 0.00 H new ATOM 0 HA GLN A 44 6.238 -13.636 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.451 -13.485 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.430 -12.274 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.133 -10.477 6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.109 -11.677 7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.888 -11.311 8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.534 -11.296 7.856 1.00 0.00 H new ATOM 609 N ALA A 45 5.284 -10.801 6.405 1.00 0.00 N ATOM 610 CA ALA A 45 4.654 -10.093 7.506 1.00 0.00 C ATOM 611 C ALA A 45 3.214 -10.585 7.666 1.00 0.00 C ATOM 612 O ALA A 45 2.418 -9.968 8.373 1.00 0.00 O ATOM 613 CB ALA A 45 4.730 -8.585 7.253 1.00 0.00 C ATOM 0 H ALA A 45 5.205 -10.338 5.499 1.00 0.00 H new ATOM 0 HA ALA A 45 5.177 -10.294 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.257 -8.053 8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.774 -8.281 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.213 -8.345 6.324 1.00 0.00 H new ATOM 619 N HIS A 46 2.922 -11.691 6.998 1.00 0.00 N ATOM 620 CA HIS A 46 1.592 -12.273 7.057 1.00 0.00 C ATOM 621 C HIS A 46 0.590 -11.332 6.385 1.00 0.00 C ATOM 622 O HIS A 46 -0.562 -11.244 6.806 1.00 0.00 O ATOM 623 CB HIS A 46 1.212 -12.612 8.499 1.00 0.00 C ATOM 624 CG HIS A 46 2.093 -13.660 9.137 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.622 -14.904 9.520 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.419 -13.636 9.453 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.628 -15.589 10.043 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.741 -14.802 10.001 1.00 0.00 N ATOM 0 H HIS A 46 3.584 -12.200 6.413 1.00 0.00 H new ATOM 0 HA HIS A 46 1.578 -13.214 6.508 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.255 -11.703 9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.179 -12.959 8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.093 -12.809 9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.576 -16.594 10.434 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.668 -15.066 10.335 1.00 0.00 H new ATOM 636 N VAL A 47 1.066 -10.653 5.351 1.00 0.00 N ATOM 637 CA VAL A 47 0.226 -9.722 4.617 1.00 0.00 C ATOM 638 C VAL A 47 -0.341 -10.421 3.380 1.00 0.00 C ATOM 639 O VAL A 47 0.393 -10.719 2.439 1.00 0.00 O ATOM 640 CB VAL A 47 1.018 -8.457 4.279 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.167 -7.478 3.468 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.559 -7.794 5.547 1.00 0.00 C ATOM 0 H VAL A 47 2.022 -10.729 5.005 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.619 -9.406 5.228 1.00 0.00 H new ATOM 0 HB VAL A 47 1.870 -8.749 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.753 -6.588 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.147 -7.953 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.713 -7.195 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.118 -6.897 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.728 -7.522 6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.217 -8.489 6.069 1.00 0.00 H new ATOM 652 N ARG A 48 -1.644 -10.661 3.421 1.00 0.00 N ATOM 653 CA ARG A 48 -2.318 -11.319 2.314 1.00 0.00 C ATOM 654 C ARG A 48 -3.062 -10.292 1.459 1.00 0.00 C ATOM 655 O ARG A 48 -3.757 -9.425 1.988 1.00 0.00 O ATOM 656 CB ARG A 48 -3.312 -12.367 2.820 1.00 0.00 C ATOM 657 CG ARG A 48 -2.633 -13.726 2.998 1.00 0.00 C ATOM 658 CD ARG A 48 -2.939 -14.316 4.376 1.00 0.00 C ATOM 659 NE ARG A 48 -2.532 -13.366 5.435 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.987 -13.404 6.695 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.869 -14.345 7.060 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.562 -12.501 7.589 1.00 0.00 N ATOM 0 H ARG A 48 -2.250 -10.412 4.203 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.558 -11.816 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.737 -12.042 3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.139 -12.459 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.973 -14.411 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.555 -13.617 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.004 -14.532 4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.411 -15.261 4.501 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.863 -12.636 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.193 -15.032 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.216 -14.375 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.892 -11.784 7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.909 -12.530 8.548 1.00 0.00 H new ATOM 676 N ILE A 49 -2.890 -10.422 0.152 1.00 0.00 N ATOM 677 CA ILE A 49 -3.537 -9.515 -0.782 1.00 0.00 C ATOM 678 C ILE A 49 -4.977 -9.267 -0.330 1.00 0.00 C ATOM 679 O ILE A 49 -5.690 -10.204 0.026 1.00 0.00 O ATOM 680 CB ILE A 49 -3.424 -10.048 -2.211 1.00 0.00 C ATOM 681 CG1 ILE A 49 -1.977 -9.989 -2.706 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.380 -9.309 -3.149 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.921 -9.936 -4.234 1.00 0.00 C ATOM 0 H ILE A 49 -2.312 -11.141 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.033 -8.549 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.721 -11.097 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.482 -9.111 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.431 -10.862 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.280 -9.707 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.405 -9.446 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.137 -8.246 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.881 -9.895 -4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.395 -10.827 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.447 -9.049 -4.587 1.00 0.00 H new ATOM 695 N GLY A 50 -5.363 -7.999 -0.359 1.00 0.00 N ATOM 696 CA GLY A 50 -6.705 -7.616 0.042 1.00 0.00 C ATOM 697 C GLY A 50 -6.688 -6.886 1.387 1.00 0.00 C ATOM 698 O GLY A 50 -7.668 -6.245 1.762 1.00 0.00 O ATOM 0 H GLY A 50 -4.769 -7.224 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.146 -6.973 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.334 -8.503 0.114 1.00 0.00 H new ATOM 702 N ASP A 51 -5.562 -7.007 2.075 1.00 0.00 N ATOM 703 CA ASP A 51 -5.404 -6.367 3.370 1.00 0.00 C ATOM 704 C ASP A 51 -5.644 -4.863 3.223 1.00 0.00 C ATOM 705 O ASP A 51 -5.038 -4.214 2.372 1.00 0.00 O ATOM 706 CB ASP A 51 -3.989 -6.569 3.915 1.00 0.00 C ATOM 707 CG ASP A 51 -3.664 -7.997 4.358 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.599 -8.826 4.331 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.488 -8.227 4.713 1.00 0.00 O ATOM 0 H ASP A 51 -4.750 -7.539 1.760 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.122 -6.814 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.274 -6.271 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.844 -5.900 4.763 1.00 0.00 H new ATOM 714 N VAL A 52 -6.530 -4.352 4.065 1.00 0.00 N ATOM 715 CA VAL A 52 -6.858 -2.937 4.040 1.00 0.00 C ATOM 716 C VAL A 52 -5.972 -2.195 5.042 1.00 0.00 C ATOM 717 O VAL A 52 -5.819 -2.630 6.183 1.00 0.00 O ATOM 718 CB VAL A 52 -8.352 -2.741 4.303 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.696 -1.256 4.433 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.193 -3.405 3.210 1.00 0.00 C ATOM 0 H VAL A 52 -7.031 -4.893 4.769 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.658 -2.516 3.055 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.591 -3.224 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.764 -1.145 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.136 -0.824 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.433 -0.740 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.251 -3.251 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.948 -2.964 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.980 -4.474 3.186 1.00 0.00 H new ATOM 730 N VAL A 53 -5.411 -1.087 4.581 1.00 0.00 N ATOM 731 CA VAL A 53 -4.545 -0.280 5.423 1.00 0.00 C ATOM 732 C VAL A 53 -5.397 0.698 6.235 1.00 0.00 C ATOM 733 O VAL A 53 -5.846 1.717 5.713 1.00 0.00 O ATOM 734 CB VAL A 53 -3.486 0.418 4.568 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.452 1.127 5.445 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.810 -0.572 3.616 1.00 0.00 C ATOM 0 H VAL A 53 -5.539 -0.729 3.635 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.008 -0.910 6.132 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.988 1.174 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.711 1.615 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.950 1.874 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.957 0.398 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.062 -0.050 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.328 -1.361 4.194 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.558 -1.011 2.956 1.00 0.00 H new ATOM 746 N LEU A 54 -5.593 0.354 7.499 1.00 0.00 N ATOM 747 CA LEU A 54 -6.383 1.189 8.388 1.00 0.00 C ATOM 748 C LEU A 54 -5.623 2.486 8.672 1.00 0.00 C ATOM 749 O LEU A 54 -6.215 3.564 8.700 1.00 0.00 O ATOM 750 CB LEU A 54 -6.768 0.413 9.650 1.00 0.00 C ATOM 751 CG LEU A 54 -7.599 -0.853 9.431 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.604 -1.728 10.686 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.016 -0.506 8.968 1.00 0.00 C ATOM 0 H LEU A 54 -5.218 -0.492 7.929 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.324 1.468 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.854 0.137 10.176 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.325 1.080 10.307 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.134 -1.434 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.201 -2.621 10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.582 -2.018 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.032 -1.169 11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.585 -1.424 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.506 0.107 9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.967 0.046 8.030 1.00 0.00 H new ATOM 765 N SER A 55 -4.322 2.340 8.875 1.00 0.00 N ATOM 766 CA SER A 55 -3.474 3.486 9.156 1.00 0.00 C ATOM 767 C SER A 55 -2.148 3.352 8.406 1.00 0.00 C ATOM 768 O SER A 55 -1.822 2.280 7.900 1.00 0.00 O ATOM 769 CB SER A 55 -3.223 3.631 10.658 1.00 0.00 C ATOM 770 OG SER A 55 -3.097 2.366 11.302 1.00 0.00 O ATOM 0 H SER A 55 -3.834 1.445 8.850 1.00 0.00 H new ATOM 0 HA SER A 55 -3.988 4.384 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.315 4.212 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.043 4.188 11.111 1.00 0.00 H new ATOM 0 HG SER A 55 -3.096 2.492 12.274 1.00 0.00 H new ATOM 776 N ILE A 56 -1.417 4.457 8.358 1.00 0.00 N ATOM 777 CA ILE A 56 -0.133 4.476 7.679 1.00 0.00 C ATOM 778 C ILE A 56 0.856 5.314 8.491 1.00 0.00 C ATOM 779 O ILE A 56 0.727 6.534 8.567 1.00 0.00 O ATOM 780 CB ILE A 56 -0.299 4.951 6.234 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.009 3.893 5.387 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.048 5.358 5.632 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.338 4.436 3.994 1.00 0.00 C ATOM 0 H ILE A 56 -1.690 5.345 8.779 1.00 0.00 H new ATOM 0 HA ILE A 56 0.279 3.469 7.615 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.932 5.839 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.377 3.010 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.926 3.579 5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.902 5.691 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.479 6.169 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.725 4.503 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.842 3.664 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.990 5.305 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.416 4.726 3.490 1.00 0.00 H new ATOM 795 N ASP A 57 1.823 4.624 9.079 1.00 0.00 N ATOM 796 CA ASP A 57 2.834 5.288 9.884 1.00 0.00 C ATOM 797 C ASP A 57 2.163 5.967 11.079 1.00 0.00 C ATOM 798 O ASP A 57 2.585 7.042 11.505 1.00 0.00 O ATOM 799 CB ASP A 57 3.561 6.364 9.075 1.00 0.00 C ATOM 800 CG ASP A 57 5.059 6.487 9.362 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.755 5.462 9.193 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.474 7.602 9.743 1.00 0.00 O ATOM 0 H ASP A 57 1.927 3.611 9.014 1.00 0.00 H new ATOM 0 HA ASP A 57 3.552 4.536 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.426 6.153 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.088 7.326 9.272 1.00 0.00 H new ATOM 807 N GLY A 58 1.129 5.313 11.588 1.00 0.00 N ATOM 808 CA GLY A 58 0.396 5.840 12.726 1.00 0.00 C ATOM 809 C GLY A 58 -0.581 6.934 12.290 1.00 0.00 C ATOM 810 O GLY A 58 -1.085 7.688 13.120 1.00 0.00 O ATOM 0 H GLY A 58 0.782 4.422 11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.150 5.034 13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.095 6.243 13.459 1.00 0.00 H new ATOM 814 N ILE A 59 -0.820 6.985 10.987 1.00 0.00 N ATOM 815 CA ILE A 59 -1.727 7.973 10.431 1.00 0.00 C ATOM 816 C ILE A 59 -3.008 7.278 9.964 1.00 0.00 C ATOM 817 O ILE A 59 -2.955 6.189 9.394 1.00 0.00 O ATOM 818 CB ILE A 59 -1.032 8.781 9.333 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.314 9.323 9.820 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.943 9.895 8.812 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.153 10.708 10.448 1.00 0.00 C ATOM 0 H ILE A 59 -0.401 6.357 10.301 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.015 8.696 11.194 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.827 8.114 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.744 8.637 10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.012 9.378 8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.425 10.454 8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.853 9.458 8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.200 10.567 9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.124 11.070 10.785 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.254 11.398 9.709 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.526 10.645 11.298 1.00 0.00 H new ATOM 833 N SER A 60 -4.128 7.935 10.225 1.00 0.00 N ATOM 834 CA SER A 60 -5.421 7.394 9.839 1.00 0.00 C ATOM 835 C SER A 60 -5.562 7.413 8.315 1.00 0.00 C ATOM 836 O SER A 60 -5.426 8.462 7.689 1.00 0.00 O ATOM 837 CB SER A 60 -6.563 8.179 10.487 1.00 0.00 C ATOM 838 OG SER A 60 -7.324 7.372 11.382 1.00 0.00 O ATOM 0 H SER A 60 -4.168 8.837 10.699 1.00 0.00 H new ATOM 0 HA SER A 60 -5.479 6.364 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.155 9.034 11.027 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.217 8.575 9.710 1.00 0.00 H new ATOM 0 HG SER A 60 -8.042 7.909 11.777 1.00 0.00 H new ATOM 844 N ALA A 61 -5.833 6.239 7.764 1.00 0.00 N ATOM 845 CA ALA A 61 -5.995 6.108 6.326 1.00 0.00 C ATOM 846 C ALA A 61 -7.485 6.129 5.980 1.00 0.00 C ATOM 847 O ALA A 61 -7.905 5.532 4.990 1.00 0.00 O ATOM 848 CB ALA A 61 -5.304 4.828 5.849 1.00 0.00 C ATOM 0 H ALA A 61 -5.944 5.370 8.287 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.525 6.945 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.425 4.729 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.242 4.875 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.752 3.967 6.345 1.00 0.00 H new ATOM 854 N GLN A 62 -8.244 6.823 6.815 1.00 0.00 N ATOM 855 CA GLN A 62 -9.678 6.930 6.610 1.00 0.00 C ATOM 856 C GLN A 62 -10.019 8.258 5.931 1.00 0.00 C ATOM 857 O GLN A 62 -10.975 8.929 6.316 1.00 0.00 O ATOM 858 CB GLN A 62 -10.433 6.781 7.933 1.00 0.00 C ATOM 859 CG GLN A 62 -11.379 5.579 7.891 1.00 0.00 C ATOM 860 CD GLN A 62 -12.835 6.030 7.757 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.202 7.139 8.108 1.00 0.00 O ATOM 862 NE2 GLN A 62 -13.640 5.111 7.232 1.00 0.00 N ATOM 0 H GLN A 62 -7.893 7.317 7.635 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.994 6.118 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.722 6.660 8.750 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.001 7.689 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.116 4.934 7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.260 4.987 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.267 4.202 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.631 5.315 7.102 1.00 0.00 H new ATOM 871 N GLY A 63 -9.219 8.597 4.931 1.00 0.00 N ATOM 872 CA GLY A 63 -9.425 9.832 4.193 1.00 0.00 C ATOM 873 C GLY A 63 -8.134 10.281 3.505 1.00 0.00 C ATOM 874 O GLY A 63 -7.780 11.458 3.549 1.00 0.00 O ATOM 0 H GLY A 63 -8.427 8.038 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.208 9.688 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.770 10.612 4.871 1.00 0.00 H new ATOM 878 N MET A 64 -7.467 9.319 2.885 1.00 0.00 N ATOM 879 CA MET A 64 -6.223 9.600 2.188 1.00 0.00 C ATOM 880 C MET A 64 -6.210 8.949 0.804 1.00 0.00 C ATOM 881 O MET A 64 -6.561 7.778 0.662 1.00 0.00 O ATOM 882 CB MET A 64 -5.046 9.074 3.011 1.00 0.00 C ATOM 883 CG MET A 64 -4.792 9.959 4.233 1.00 0.00 C ATOM 884 SD MET A 64 -3.043 10.029 4.583 1.00 0.00 S ATOM 885 CE MET A 64 -2.786 8.378 5.210 1.00 0.00 C ATOM 0 H MET A 64 -7.764 8.344 2.851 1.00 0.00 H new ATOM 0 HA MET A 64 -6.136 10.679 2.062 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.251 8.053 3.333 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.151 9.039 2.390 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.175 10.963 4.051 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.328 9.564 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.824 8.328 5.720 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.582 8.127 5.911 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.795 7.669 4.382 1.00 0.00 H new ATOM 895 N THR A 65 -5.803 9.735 -0.181 1.00 0.00 N ATOM 896 CA THR A 65 -5.740 9.249 -1.549 1.00 0.00 C ATOM 897 C THR A 65 -4.476 8.412 -1.760 1.00 0.00 C ATOM 898 O THR A 65 -3.527 8.507 -0.984 1.00 0.00 O ATOM 899 CB THR A 65 -5.832 10.456 -2.485 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.760 11.298 -2.071 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.085 11.297 -2.234 1.00 0.00 C ATOM 0 H THR A 65 -5.513 10.705 -0.059 1.00 0.00 H new ATOM 0 HA THR A 65 -6.574 8.583 -1.771 1.00 0.00 H new ATOM 0 HB THR A 65 -5.826 10.114 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.995 12.234 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.101 12.140 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.972 10.683 -2.390 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.075 11.667 -1.209 1.00 0.00 H new ATOM 909 N HIS A 66 -4.506 7.610 -2.815 1.00 0.00 N ATOM 910 CA HIS A 66 -3.375 6.756 -3.137 1.00 0.00 C ATOM 911 C HIS A 66 -2.081 7.569 -3.063 1.00 0.00 C ATOM 912 O HIS A 66 -1.177 7.236 -2.298 1.00 0.00 O ATOM 913 CB HIS A 66 -3.574 6.082 -4.496 1.00 0.00 C ATOM 914 CG HIS A 66 -2.919 4.726 -4.610 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.373 4.254 -5.792 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.726 3.748 -3.679 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.879 3.045 -5.570 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.099 2.733 -4.261 1.00 0.00 N ATOM 0 H HIS A 66 -5.295 7.534 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.301 5.952 -2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.642 5.975 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.177 6.733 -5.275 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.354 4.752 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.031 3.792 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.388 2.417 -6.298 1.00 0.00 H new ATOM 926 N LEU A 67 -2.033 8.620 -3.869 1.00 0.00 N ATOM 927 CA LEU A 67 -0.865 9.483 -3.904 1.00 0.00 C ATOM 928 C LEU A 67 -0.441 9.820 -2.473 1.00 0.00 C ATOM 929 O LEU A 67 0.712 9.612 -2.098 1.00 0.00 O ATOM 930 CB LEU A 67 -1.134 10.714 -4.772 1.00 0.00 C ATOM 931 CG LEU A 67 -0.199 11.906 -4.554 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.262 11.501 -4.758 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.598 13.085 -5.444 1.00 0.00 C ATOM 0 H LEU A 67 -2.784 8.893 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.026 8.969 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.073 10.416 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.158 11.043 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.300 12.235 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.905 12.366 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.525 10.717 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.399 11.131 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.082 13.919 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.544 12.785 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.617 13.392 -5.206 1.00 0.00 H new ATOM 945 N GLU A 68 -1.397 10.334 -1.713 1.00 0.00 N ATOM 946 CA GLU A 68 -1.137 10.702 -0.331 1.00 0.00 C ATOM 947 C GLU A 68 -0.587 9.502 0.443 1.00 0.00 C ATOM 948 O GLU A 68 0.510 9.566 0.995 1.00 0.00 O ATOM 949 CB GLU A 68 -2.399 11.253 0.336 1.00 0.00 C ATOM 950 CG GLU A 68 -2.784 12.610 -0.256 1.00 0.00 C ATOM 951 CD GLU A 68 -2.487 13.743 0.729 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.290 13.899 1.673 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.462 14.426 0.515 1.00 0.00 O ATOM 0 H GLU A 68 -2.352 10.504 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.386 11.492 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.221 10.549 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.233 11.354 1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.234 12.776 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.844 12.612 -0.510 1.00 0.00 H new ATOM 960 N ALA A 69 -1.375 8.437 0.458 1.00 0.00 N ATOM 961 CA ALA A 69 -0.980 7.225 1.156 1.00 0.00 C ATOM 962 C ALA A 69 0.429 6.824 0.716 1.00 0.00 C ATOM 963 O ALA A 69 1.288 6.544 1.551 1.00 0.00 O ATOM 964 CB ALA A 69 -2.009 6.124 0.889 1.00 0.00 C ATOM 0 H ALA A 69 -2.284 8.388 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.954 7.394 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.713 5.215 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.987 6.446 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.060 5.926 -0.182 1.00 0.00 H new ATOM 970 N GLN A 70 0.624 6.810 -0.595 1.00 0.00 N ATOM 971 CA GLN A 70 1.914 6.448 -1.156 1.00 0.00 C ATOM 972 C GLN A 70 3.013 7.345 -0.581 1.00 0.00 C ATOM 973 O GLN A 70 4.085 6.864 -0.218 1.00 0.00 O ATOM 974 CB GLN A 70 1.889 6.523 -2.684 1.00 0.00 C ATOM 975 CG GLN A 70 0.945 5.470 -3.268 1.00 0.00 C ATOM 976 CD GLN A 70 1.720 4.233 -3.726 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.490 3.642 -2.986 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.475 3.875 -4.983 1.00 0.00 N ATOM 0 H GLN A 70 -0.090 7.044 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 70 2.132 5.416 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.570 7.517 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.895 6.372 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.206 5.184 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.398 5.894 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.819 4.414 -5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.943 3.062 -5.382 1.00 0.00 H new ATOM 987 N ASN A 71 2.708 8.633 -0.517 1.00 0.00 N ATOM 988 CA ASN A 71 3.656 9.601 0.007 1.00 0.00 C ATOM 989 C ASN A 71 4.061 9.196 1.425 1.00 0.00 C ATOM 990 O ASN A 71 5.248 9.129 1.741 1.00 0.00 O ATOM 991 CB ASN A 71 3.037 10.998 0.073 1.00 0.00 C ATOM 992 CG ASN A 71 3.753 11.961 -0.877 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.965 12.099 -0.865 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.938 12.617 -1.698 1.00 0.00 N ATOM 0 H ASN A 71 1.818 9.028 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 71 4.520 9.620 -0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.980 10.944 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.095 11.378 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.319 13.283 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.932 12.454 -1.656 1.00 0.00 H new ATOM 1001 N LYS A 72 3.051 8.936 2.243 1.00 0.00 N ATOM 1002 CA LYS A 72 3.287 8.539 3.621 1.00 0.00 C ATOM 1003 C LYS A 72 4.369 7.459 3.658 1.00 0.00 C ATOM 1004 O LYS A 72 5.410 7.638 4.288 1.00 0.00 O ATOM 1005 CB LYS A 72 1.976 8.120 4.289 1.00 0.00 C ATOM 1006 CG LYS A 72 1.221 9.337 4.828 1.00 0.00 C ATOM 1007 CD LYS A 72 1.959 9.958 6.016 1.00 0.00 C ATOM 1008 CE LYS A 72 1.073 10.973 6.742 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.280 12.330 6.189 1.00 0.00 N ATOM 0 H LYS A 72 2.068 8.993 1.978 1.00 0.00 H new ATOM 0 HA LYS A 72 3.659 9.383 4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.351 7.589 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.184 7.427 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.108 10.079 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.217 9.041 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.264 9.174 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.869 10.447 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.026 10.688 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.303 10.969 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.672 13.007 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.276 12.605 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.038 12.333 5.177 1.00 0.00 H new ATOM 1023 N ILE A 73 4.086 6.359 2.974 1.00 0.00 N ATOM 1024 CA ILE A 73 5.023 5.250 2.921 1.00 0.00 C ATOM 1025 C ILE A 73 6.439 5.792 2.717 1.00 0.00 C ATOM 1026 O ILE A 73 7.358 5.427 3.449 1.00 0.00 O ATOM 1027 CB ILE A 73 4.593 4.237 1.857 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.369 3.444 2.317 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.757 3.322 1.470 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.242 3.527 1.285 1.00 0.00 C ATOM 0 H ILE A 73 3.222 6.213 2.453 1.00 0.00 H new ATOM 0 HA ILE A 73 5.023 4.706 3.866 1.00 0.00 H new ATOM 0 HB ILE A 73 4.302 4.785 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.645 2.402 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.019 3.831 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.425 2.612 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.575 3.922 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.101 2.779 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.384 2.955 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.952 4.568 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.587 3.117 0.336 1.00 0.00 H new ATOM 1042 N LYS A 74 6.570 6.655 1.720 1.00 0.00 N ATOM 1043 CA LYS A 74 7.859 7.251 1.412 1.00 0.00 C ATOM 1044 C LYS A 74 8.474 7.818 2.693 1.00 0.00 C ATOM 1045 O LYS A 74 9.672 7.673 2.927 1.00 0.00 O ATOM 1046 CB LYS A 74 7.717 8.281 0.289 1.00 0.00 C ATOM 1047 CG LYS A 74 8.546 7.878 -0.932 1.00 0.00 C ATOM 1048 CD LYS A 74 7.695 7.100 -1.939 1.00 0.00 C ATOM 1049 CE LYS A 74 8.334 5.750 -2.268 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.373 4.882 -2.985 1.00 0.00 N ATOM 0 H LYS A 74 5.805 6.956 1.116 1.00 0.00 H new ATOM 0 HA LYS A 74 8.548 6.495 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.668 8.374 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.039 9.259 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.956 8.769 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.392 7.267 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.696 6.944 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.580 7.684 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.223 5.901 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.659 5.261 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.823 3.970 -3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.537 4.723 -2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.083 5.343 -3.871 1.00 0.00 H new ATOM 1064 N ALA A 75 7.625 8.452 3.488 1.00 0.00 N ATOM 1065 CA ALA A 75 8.069 9.041 4.740 1.00 0.00 C ATOM 1066 C ALA A 75 8.975 8.049 5.473 1.00 0.00 C ATOM 1067 O ALA A 75 9.832 8.449 6.258 1.00 0.00 O ATOM 1068 CB ALA A 75 6.853 9.447 5.574 1.00 0.00 C ATOM 0 H ALA A 75 6.632 8.571 3.289 1.00 0.00 H new ATOM 0 HA ALA A 75 8.651 9.943 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.187 9.889 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.259 10.175 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.245 8.567 5.783 1.00 0.00 H new ATOM 1106 N SER A 79 11.766 1.951 8.675 1.00 0.00 N ATOM 1107 CA SER A 79 10.787 0.878 8.643 1.00 0.00 C ATOM 1108 C SER A 79 9.385 1.456 8.442 1.00 0.00 C ATOM 1109 O SER A 79 9.162 2.645 8.664 1.00 0.00 O ATOM 1110 CB SER A 79 10.838 0.046 9.926 1.00 0.00 C ATOM 1111 OG SER A 79 11.099 0.850 11.073 1.00 0.00 O ATOM 0 HA SER A 79 11.027 0.221 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.890 -0.476 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.612 -0.716 9.834 1.00 0.00 H new ATOM 0 HG SER A 79 11.464 1.714 10.790 1.00 0.00 H new ATOM 1117 N LEU A 80 8.476 0.588 8.023 1.00 0.00 N ATOM 1118 CA LEU A 80 7.101 0.998 7.789 1.00 0.00 C ATOM 1119 C LEU A 80 6.216 0.466 8.918 1.00 0.00 C ATOM 1120 O LEU A 80 6.369 -0.677 9.345 1.00 0.00 O ATOM 1121 CB LEU A 80 6.644 0.567 6.394 1.00 0.00 C ATOM 1122 CG LEU A 80 5.584 1.451 5.733 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.128 2.857 5.472 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.045 0.800 4.457 1.00 0.00 C ATOM 0 H LEU A 80 8.664 -0.398 7.839 1.00 0.00 H new ATOM 0 HA LEU A 80 7.019 2.085 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.517 0.531 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.253 -0.448 6.459 1.00 0.00 H new ATOM 0 HG LEU A 80 4.746 1.552 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.355 3.465 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.424 3.314 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.993 2.796 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.293 1.449 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.863 0.649 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.594 -0.162 4.702 1.00 0.00 H new ATOM 1136 N ASN A 81 5.310 1.321 9.369 1.00 0.00 N ATOM 1137 CA ASN A 81 4.400 0.952 10.440 1.00 0.00 C ATOM 1138 C ASN A 81 2.966 1.287 10.023 1.00 0.00 C ATOM 1139 O ASN A 81 2.571 2.451 10.027 1.00 0.00 O ATOM 1140 CB ASN A 81 4.714 1.727 11.721 1.00 0.00 C ATOM 1141 CG ASN A 81 5.320 0.808 12.783 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.739 0.554 13.826 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.517 0.326 12.462 1.00 0.00 N ATOM 0 H ASN A 81 5.187 2.269 9.012 1.00 0.00 H new ATOM 0 HA ASN A 81 4.515 -0.116 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.407 2.538 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.802 2.183 12.107 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.005 -0.297 13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.947 0.579 11.572 1.00 0.00 H new ATOM 1150 N MET A 82 2.227 0.244 9.675 1.00 0.00 N ATOM 1151 CA MET A 82 0.845 0.413 9.257 1.00 0.00 C ATOM 1152 C MET A 82 -0.036 -0.709 9.809 1.00 0.00 C ATOM 1153 O MET A 82 0.418 -1.842 9.960 1.00 0.00 O ATOM 1154 CB MET A 82 0.771 0.416 7.728 1.00 0.00 C ATOM 1155 CG MET A 82 1.886 1.272 7.127 1.00 0.00 C ATOM 1156 SD MET A 82 1.671 1.402 5.359 1.00 0.00 S ATOM 1157 CE MET A 82 1.929 -0.301 4.891 1.00 0.00 C ATOM 0 H MET A 82 2.558 -0.721 9.674 1.00 0.00 H new ATOM 0 HA MET A 82 0.480 1.362 9.649 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.850 -0.605 7.355 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.198 0.798 7.408 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.876 2.265 7.577 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.857 0.830 7.352 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.269 -0.346 3.856 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.682 -0.747 5.541 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.993 -0.851 4.990 1.00 0.00 H new ATOM 1167 N THR A 83 -1.280 -0.355 10.095 1.00 0.00 N ATOM 1168 CA THR A 83 -2.229 -1.318 10.627 1.00 0.00 C ATOM 1169 C THR A 83 -3.049 -1.940 9.495 1.00 0.00 C ATOM 1170 O THR A 83 -3.294 -1.297 8.476 1.00 0.00 O ATOM 1171 CB THR A 83 -3.085 -0.607 11.678 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.143 0.133 12.450 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.707 -1.580 12.682 1.00 0.00 C ATOM 0 H THR A 83 -1.653 0.586 9.968 1.00 0.00 H new ATOM 0 HA THR A 83 -1.718 -2.150 11.111 1.00 0.00 H new ATOM 0 HB THR A 83 -3.875 -0.043 11.182 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.108 1.057 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.304 -1.024 13.405 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.344 -2.289 12.154 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.916 -2.120 13.203 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.450 -3.184 9.713 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.237 -3.901 8.724 1.00 0.00 C ATOM 1183 C LEU A 84 -5.604 -4.245 9.318 1.00 0.00 C ATOM 1184 O LEU A 84 -5.786 -4.197 10.534 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.467 -5.117 8.206 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.084 -4.835 7.618 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.481 -6.100 7.003 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.139 -3.681 6.614 1.00 0.00 C ATOM 0 H LEU A 84 -3.245 -3.714 10.560 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.418 -3.272 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.353 -5.826 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.072 -5.606 7.442 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.425 -4.525 8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.498 -5.872 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.384 -6.867 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.131 -6.463 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.142 -3.501 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.818 -3.938 5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.496 -2.781 7.114 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.530 -4.584 8.434 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.875 -4.937 8.856 1.00 0.00 C ATOM 1202 C GLN A 85 -8.142 -6.420 8.593 1.00 0.00 C ATOM 1203 O GLN A 85 -7.580 -7.001 7.666 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.916 -4.060 8.157 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.317 -4.659 8.293 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.340 -3.846 7.496 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.549 -4.053 6.312 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.964 -2.914 8.210 1.00 0.00 N ATOM 0 H GLN A 85 -6.376 -4.622 7.426 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.957 -4.758 9.928 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.901 -3.059 8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.661 -3.957 7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.312 -5.690 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.606 -4.684 9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.741 -2.794 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.666 -2.319 7.770 1.00 0.00 H new ATOM 1217 N ARG A 86 -9.001 -6.990 9.425 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.350 -8.395 9.294 1.00 0.00 C ATOM 1219 C ARG A 86 -10.503 -8.565 8.303 1.00 0.00 C ATOM 1220 O ARG A 86 -11.305 -7.651 8.114 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.755 -8.990 10.644 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.227 -8.706 10.949 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.479 -7.203 11.084 1.00 0.00 C ATOM 1224 NE ARG A 86 -12.795 -6.966 11.719 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.414 -5.777 11.743 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -12.841 -4.711 11.168 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.607 -5.655 12.342 1.00 0.00 N ATOM 0 H ARG A 86 -9.466 -6.505 10.192 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.470 -8.923 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.582 -10.066 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.129 -8.571 11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.852 -9.113 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.515 -9.211 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.690 -6.746 11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.449 -6.731 10.102 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.260 -7.756 12.166 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.933 -4.804 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.312 -3.807 11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.043 -6.467 12.779 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.078 -4.751 12.361 1.00 0.00 H new