USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 602 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 64 GLN : amide:sc= 0.245 K(o=0.51,f=-1.5) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -107:sc= 0.269 (180deg=-0.0423) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -104:sc= -0.606 USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= 0.29 (180deg=0.064) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.375 USER MOD Single : A 10 SER OG : rot 180:sc= -1.09 USER MOD Single : A 11 MET CE :methyl 167:sc= -0.599 (180deg=-0.941) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0.0856 (180deg=0.0745) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0317 (180deg=-0.232) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.46) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 26 SER OG : rot -103:sc= 0.575 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -124:sc= -0.275 (180deg=-1.78) USER MOD Single : A 47 SER OG : rot 104:sc= 0.477 USER MOD Single : A 48 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.0033) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -0.33 (180deg=-0.909) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0269 (180deg=-0.22) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 69 TYR OH : rot 168:sc= 0.472 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.304 14.437 8.469 1.00 0.00 N ATOM 2 CA SER A 1 -0.216 15.328 7.982 1.00 0.00 C ATOM 3 C SER A 1 0.719 14.583 7.032 1.00 0.00 C ATOM 4 O SER A 1 0.810 14.920 5.850 1.00 0.00 O ATOM 5 CB SER A 1 0.582 15.889 9.164 1.00 0.00 C ATOM 6 OG SER A 1 -0.233 16.696 9.996 1.00 0.00 O ATOM 0 H1 SER A 1 -1.925 14.967 9.113 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.858 14.091 7.660 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.890 13.629 8.976 1.00 0.00 H new ATOM 0 HA SER A 1 -0.676 16.152 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.000 15.068 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.422 16.477 8.793 1.00 0.00 H new ATOM 0 HG SER A 1 0.301 17.039 10.743 1.00 0.00 H new ATOM 14 N ASP A 2 1.414 13.571 7.557 1.00 0.00 N ATOM 15 CA ASP A 2 2.342 12.774 6.756 1.00 0.00 C ATOM 16 C ASP A 2 1.837 11.342 6.576 1.00 0.00 C ATOM 17 O ASP A 2 0.892 10.914 7.243 1.00 0.00 O ATOM 18 CB ASP A 2 3.729 12.763 7.405 1.00 0.00 C ATOM 19 CG ASP A 2 4.532 14.004 7.068 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.353 15.034 7.752 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.341 13.946 6.117 1.00 0.00 O ATOM 0 H ASP A 2 1.351 13.285 8.534 1.00 0.00 H new ATOM 0 HA ASP A 2 2.410 13.234 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.621 12.686 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.275 11.879 7.075 1.00 0.00 H new ATOM 26 N VAL A 3 2.482 10.607 5.667 1.00 0.00 N ATOM 27 CA VAL A 3 2.112 9.222 5.378 1.00 0.00 C ATOM 28 C VAL A 3 2.490 8.286 6.529 1.00 0.00 C ATOM 29 O VAL A 3 1.780 7.316 6.801 1.00 0.00 O ATOM 30 CB VAL A 3 2.772 8.722 4.070 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.262 8.461 4.262 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.071 7.470 3.562 1.00 0.00 C ATOM 0 H VAL A 3 3.268 10.952 5.116 1.00 0.00 H new ATOM 0 HA VAL A 3 1.029 9.207 5.256 1.00 0.00 H new ATOM 0 HB VAL A 3 2.666 9.509 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.694 8.111 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.756 9.383 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.402 7.702 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.549 7.133 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.139 6.684 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.023 7.694 3.365 1.00 0.00 H new ATOM 42 N TRP A 4 3.601 8.585 7.207 1.00 0.00 N ATOM 43 CA TRP A 4 4.062 7.759 8.319 1.00 0.00 C ATOM 44 C TRP A 4 3.220 8.023 9.567 1.00 0.00 C ATOM 45 O TRP A 4 2.937 7.100 10.334 1.00 0.00 O ATOM 46 CB TRP A 4 5.541 8.035 8.610 1.00 0.00 C ATOM 47 CG TRP A 4 6.233 6.918 9.330 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.017 6.508 10.616 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.264 6.073 8.808 1.00 0.00 C ATOM 50 NE1 TRP A 4 6.846 5.456 10.920 1.00 0.00 N ATOM 51 CE2 TRP A 4 7.622 5.171 9.826 1.00 0.00 C ATOM 52 CE3 TRP A 4 7.917 5.989 7.573 1.00 0.00 C ATOM 53 CZ2 TRP A 4 8.604 4.199 9.650 1.00 0.00 C ATOM 54 CZ3 TRP A 4 8.893 5.025 7.399 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.226 4.141 8.432 1.00 0.00 C ATOM 0 H TRP A 4 4.194 9.390 7.004 1.00 0.00 H new ATOM 0 HA TRP A 4 3.950 6.711 8.040 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.058 8.224 7.669 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.621 8.944 9.206 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.300 6.947 11.294 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.879 4.966 11.814 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.663 6.665 6.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.865 3.516 10.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 9.406 4.953 6.451 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.991 3.397 8.264 1.00 0.00 H new ATOM 66 N SER A 5 2.822 9.282 9.766 1.00 0.00 N ATOM 67 CA SER A 5 1.987 9.649 10.908 1.00 0.00 C ATOM 68 C SER A 5 0.641 8.934 10.818 1.00 0.00 C ATOM 69 O SER A 5 0.187 8.323 11.787 1.00 0.00 O ATOM 70 CB SER A 5 1.779 11.165 10.957 1.00 0.00 C ATOM 71 OG SER A 5 3.013 11.849 11.093 1.00 0.00 O ATOM 0 H SER A 5 3.064 10.060 9.153 1.00 0.00 H new ATOM 0 HA SER A 5 2.492 9.342 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.276 11.495 10.048 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.126 11.418 11.792 1.00 0.00 H new ATOM 0 HG SER A 5 2.850 12.815 11.120 1.00 0.00 H new ATOM 77 N LEU A 6 0.011 9.015 9.645 1.00 0.00 N ATOM 78 CA LEU A 6 -1.272 8.363 9.406 1.00 0.00 C ATOM 79 C LEU A 6 -1.042 7.026 8.704 1.00 0.00 C ATOM 80 O LEU A 6 -1.176 6.921 7.482 1.00 0.00 O ATOM 81 CB LEU A 6 -2.181 9.260 8.559 1.00 0.00 C ATOM 82 CG LEU A 6 -2.428 10.663 9.123 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.246 11.492 8.144 1.00 0.00 C ATOM 84 CD2 LEU A 6 -3.131 10.583 10.472 1.00 0.00 C ATOM 0 H LEU A 6 0.374 9.530 8.843 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.764 8.186 10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.743 9.358 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.143 8.762 8.436 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.464 11.150 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.413 12.486 8.559 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.706 11.579 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.206 11.006 7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.297 11.590 10.856 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.089 10.077 10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.510 10.025 11.173 1.00 0.00 H new ATOM 96 N SER A 7 -0.680 6.010 9.487 1.00 0.00 N ATOM 97 CA SER A 7 -0.402 4.682 8.943 1.00 0.00 C ATOM 98 C SER A 7 -1.325 3.593 9.512 1.00 0.00 C ATOM 99 O SER A 7 -1.185 2.420 9.165 1.00 0.00 O ATOM 100 CB SER A 7 1.063 4.320 9.204 1.00 0.00 C ATOM 101 OG SER A 7 1.368 4.372 10.588 1.00 0.00 O ATOM 0 H SER A 7 -0.573 6.081 10.499 1.00 0.00 H new ATOM 0 HA SER A 7 -0.597 4.725 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.266 3.320 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.712 5.007 8.660 1.00 0.00 H new ATOM 0 HG SER A 7 1.874 5.189 10.781 1.00 0.00 H new ATOM 107 N LYS A 8 -2.263 3.978 10.383 1.00 0.00 N ATOM 108 CA LYS A 8 -3.193 3.021 10.984 1.00 0.00 C ATOM 109 C LYS A 8 -4.502 2.906 10.191 1.00 0.00 C ATOM 110 O LYS A 8 -5.182 1.882 10.266 1.00 0.00 O ATOM 111 CB LYS A 8 -3.492 3.416 12.433 1.00 0.00 C ATOM 112 CG LYS A 8 -2.260 3.447 13.332 1.00 0.00 C ATOM 113 CD LYS A 8 -1.502 2.125 13.309 1.00 0.00 C ATOM 114 CE LYS A 8 -2.353 0.975 13.828 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.596 -0.307 13.862 1.00 0.00 N ATOM 0 H LYS A 8 -2.397 4.943 10.686 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.711 2.044 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.961 4.400 12.442 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.215 2.715 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.597 4.250 13.011 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.563 3.673 14.354 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.181 1.908 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.601 2.212 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.710 1.212 14.830 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.233 0.860 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.121 -1.034 13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.662 -0.170 13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.475 -0.613 14.849 1.00 0.00 H new ATOM 129 N THR A 9 -4.853 3.953 9.438 1.00 0.00 N ATOM 130 CA THR A 9 -6.083 3.949 8.641 1.00 0.00 C ATOM 131 C THR A 9 -5.973 2.998 7.447 1.00 0.00 C ATOM 132 O THR A 9 -5.323 3.310 6.447 1.00 0.00 O ATOM 133 CB THR A 9 -6.432 5.366 8.134 1.00 0.00 C ATOM 134 OG1 THR A 9 -5.303 5.946 7.469 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.864 6.263 9.286 1.00 0.00 C ATOM 0 H THR A 9 -4.305 4.810 9.364 1.00 0.00 H new ATOM 0 HA THR A 9 -6.880 3.602 9.298 1.00 0.00 H new ATOM 0 HB THR A 9 -7.260 5.279 7.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.919 5.294 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.104 7.255 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.743 5.837 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.054 6.340 10.011 1.00 0.00 H new ATOM 143 N SER A 10 -6.622 1.835 7.560 1.00 0.00 N ATOM 144 CA SER A 10 -6.595 0.827 6.496 1.00 0.00 C ATOM 145 C SER A 10 -7.628 1.130 5.409 1.00 0.00 C ATOM 146 O SER A 10 -8.420 2.067 5.531 1.00 0.00 O ATOM 147 CB SER A 10 -6.854 -0.569 7.076 1.00 0.00 C ATOM 148 OG SER A 10 -5.950 -0.869 8.126 1.00 0.00 O ATOM 0 H SER A 10 -7.172 1.569 8.377 1.00 0.00 H new ATOM 0 HA SER A 10 -5.604 0.855 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.877 -0.626 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.759 -1.316 6.288 1.00 0.00 H new ATOM 0 HG SER A 10 -6.141 -1.764 8.476 1.00 0.00 H new ATOM 154 N MET A 11 -7.606 0.325 4.343 1.00 0.00 N ATOM 155 CA MET A 11 -8.538 0.486 3.228 1.00 0.00 C ATOM 156 C MET A 11 -9.103 -0.865 2.795 1.00 0.00 C ATOM 157 O MET A 11 -8.406 -1.882 2.832 1.00 0.00 O ATOM 158 CB MET A 11 -7.847 1.167 2.044 1.00 0.00 C ATOM 159 CG MET A 11 -8.697 1.218 0.783 1.00 0.00 C ATOM 160 SD MET A 11 -8.048 2.362 -0.452 1.00 0.00 S ATOM 161 CE MET A 11 -9.207 2.109 -1.793 1.00 0.00 C ATOM 0 H MET A 11 -6.949 -0.447 4.230 1.00 0.00 H new ATOM 0 HA MET A 11 -9.361 1.116 3.565 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.576 2.183 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.919 0.639 1.824 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.757 0.219 0.350 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.713 1.513 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.085 2.899 -2.534 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.018 1.142 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.225 2.131 -1.403 1.00 0.00 H new ATOM 171 N THR A 12 -10.368 -0.865 2.377 1.00 0.00 N ATOM 172 CA THR A 12 -11.032 -2.089 1.944 1.00 0.00 C ATOM 173 C THR A 12 -10.809 -2.360 0.457 1.00 0.00 C ATOM 174 O THR A 12 -11.089 -1.511 -0.393 1.00 0.00 O ATOM 175 CB THR A 12 -12.549 -2.040 2.225 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.784 -1.761 3.611 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.214 -3.361 1.854 1.00 0.00 C ATOM 0 H THR A 12 -10.952 -0.030 2.330 1.00 0.00 H new ATOM 0 HA THR A 12 -10.586 -2.899 2.521 1.00 0.00 H new ATOM 0 HB THR A 12 -12.980 -1.247 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.749 -1.730 3.779 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.282 -3.301 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.061 -3.560 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.775 -4.167 2.442 1.00 0.00 H new ATOM 185 N PHE A 13 -10.303 -3.555 0.159 1.00 0.00 N ATOM 186 CA PHE A 13 -10.054 -3.981 -1.215 1.00 0.00 C ATOM 187 C PHE A 13 -11.249 -4.773 -1.736 1.00 0.00 C ATOM 188 O PHE A 13 -11.844 -5.567 -1.004 1.00 0.00 O ATOM 189 CB PHE A 13 -8.787 -4.841 -1.284 1.00 0.00 C ATOM 190 CG PHE A 13 -7.513 -4.065 -1.097 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.084 -3.708 0.172 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.745 -3.697 -2.189 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.911 -3.001 0.346 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.571 -2.988 -2.019 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.154 -2.640 -0.751 1.00 0.00 C ATOM 0 H PHE A 13 -10.055 -4.252 0.861 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.911 -3.097 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.844 -5.616 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.755 -5.346 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.673 -3.986 1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.067 -3.967 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.586 -2.730 1.340 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.980 -2.707 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.237 -2.086 -0.616 1.00 0.00 H new ATOM 205 N GLN A 14 -11.594 -4.554 -3.004 1.00 0.00 N ATOM 206 CA GLN A 14 -12.721 -5.244 -3.624 1.00 0.00 C ATOM 207 C GLN A 14 -12.248 -6.112 -4.787 1.00 0.00 C ATOM 208 O GLN A 14 -11.856 -5.596 -5.837 1.00 0.00 O ATOM 209 CB GLN A 14 -13.764 -4.232 -4.107 1.00 0.00 C ATOM 210 CG GLN A 14 -14.965 -4.869 -4.790 1.00 0.00 C ATOM 211 CD GLN A 14 -16.008 -3.849 -5.208 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.960 -3.316 -6.317 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.958 -3.572 -4.321 1.00 0.00 N ATOM 0 H GLN A 14 -11.108 -3.903 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.180 -5.891 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.110 -3.646 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.289 -3.537 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.629 -5.420 -5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.421 -5.593 -4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.960 -4.037 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.686 -2.894 -4.548 1.00 0.00 H new ATOM 222 N PRO A 15 -12.269 -7.448 -4.610 1.00 0.00 N ATOM 223 CA PRO A 15 -11.841 -8.394 -5.650 1.00 0.00 C ATOM 224 C PRO A 15 -12.652 -8.252 -6.935 1.00 0.00 C ATOM 225 O PRO A 15 -13.829 -7.887 -6.900 1.00 0.00 O ATOM 226 CB PRO A 15 -12.083 -9.768 -5.016 1.00 0.00 C ATOM 227 CG PRO A 15 -12.125 -9.517 -3.549 1.00 0.00 C ATOM 228 CD PRO A 15 -12.697 -8.140 -3.382 1.00 0.00 C ATOM 0 HA PRO A 15 -10.805 -8.225 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.017 -10.205 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.287 -10.467 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.742 -10.260 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.128 -9.581 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.783 -8.163 -3.290 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.312 -7.649 -2.488 1.00 0.00 H new ATOM 236 N LYS A 16 -12.016 -8.545 -8.070 1.00 0.00 N ATOM 237 CA LYS A 16 -12.686 -8.467 -9.364 1.00 0.00 C ATOM 238 C LYS A 16 -13.587 -9.684 -9.579 1.00 0.00 C ATOM 239 O LYS A 16 -14.694 -9.561 -10.104 1.00 0.00 O ATOM 240 CB LYS A 16 -11.662 -8.360 -10.497 1.00 0.00 C ATOM 241 CG LYS A 16 -11.007 -6.990 -10.604 1.00 0.00 C ATOM 242 CD LYS A 16 -12.010 -5.915 -10.991 1.00 0.00 C ATOM 243 CE LYS A 16 -11.392 -4.527 -10.918 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.360 -3.463 -11.305 1.00 0.00 N ATOM 0 H LYS A 16 -11.040 -8.838 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.306 -7.571 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.888 -9.112 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.153 -8.593 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.547 -6.732 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.208 -7.026 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.373 -6.101 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.874 -5.966 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.036 -4.342 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.523 -4.482 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.872 -2.545 -11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.758 -3.679 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.127 -3.420 -10.604 1.00 0.00 H new ATOM 258 N LYS A 17 -13.100 -10.858 -9.165 1.00 0.00 N ATOM 259 CA LYS A 17 -13.856 -12.101 -9.301 1.00 0.00 C ATOM 260 C LYS A 17 -14.132 -12.726 -7.930 1.00 0.00 C ATOM 261 O LYS A 17 -13.593 -12.281 -6.913 1.00 0.00 O ATOM 262 CB LYS A 17 -13.101 -13.099 -10.190 1.00 0.00 C ATOM 263 CG LYS A 17 -11.719 -13.475 -9.668 1.00 0.00 C ATOM 264 CD LYS A 17 -10.626 -12.619 -10.293 1.00 0.00 C ATOM 265 CE LYS A 17 -10.374 -12.997 -11.746 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.789 -14.363 -11.876 1.00 0.00 N ATOM 0 H LYS A 17 -12.183 -10.971 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.810 -11.862 -9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.699 -14.005 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.997 -12.674 -11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.696 -13.359 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.524 -14.526 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.909 -11.568 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.704 -12.733 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.311 -12.950 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.700 -12.270 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.371 -14.473 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.052 -14.495 -11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.536 -15.075 -11.743 1.00 0.00 H new ATOM 280 N ALA A 18 -14.972 -13.761 -7.914 1.00 0.00 N ATOM 281 CA ALA A 18 -15.326 -14.453 -6.675 1.00 0.00 C ATOM 282 C ALA A 18 -14.126 -15.191 -6.077 1.00 0.00 C ATOM 283 O ALA A 18 -13.995 -15.281 -4.855 1.00 0.00 O ATOM 284 CB ALA A 18 -16.474 -15.424 -6.921 1.00 0.00 C ATOM 0 H ALA A 18 -15.421 -14.139 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.644 -13.699 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.727 -15.932 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.344 -14.875 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.174 -16.161 -7.666 1.00 0.00 H new ATOM 290 N SER A 19 -13.254 -15.717 -6.945 1.00 0.00 N ATOM 291 CA SER A 19 -12.064 -16.446 -6.503 1.00 0.00 C ATOM 292 C SER A 19 -11.216 -15.597 -5.553 1.00 0.00 C ATOM 293 O SER A 19 -10.740 -16.089 -4.528 1.00 0.00 O ATOM 294 CB SER A 19 -11.222 -16.873 -7.711 1.00 0.00 C ATOM 295 OG SER A 19 -10.094 -17.630 -7.309 1.00 0.00 O ATOM 0 H SER A 19 -13.352 -15.650 -7.958 1.00 0.00 H new ATOM 0 HA SER A 19 -12.397 -17.334 -5.965 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.834 -17.462 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.894 -15.990 -8.259 1.00 0.00 H new ATOM 0 HG SER A 19 -9.576 -17.890 -8.099 1.00 0.00 H new ATOM 301 N LEU A 20 -11.036 -14.322 -5.900 1.00 0.00 N ATOM 302 CA LEU A 20 -10.250 -13.400 -5.084 1.00 0.00 C ATOM 303 C LEU A 20 -11.016 -12.980 -3.830 1.00 0.00 C ATOM 304 O LEU A 20 -12.245 -12.877 -3.845 1.00 0.00 O ATOM 305 CB LEU A 20 -9.874 -12.166 -5.902 1.00 0.00 C ATOM 306 CG LEU A 20 -8.849 -12.402 -7.013 1.00 0.00 C ATOM 307 CD1 LEU A 20 -8.748 -11.177 -7.906 1.00 0.00 C ATOM 308 CD2 LEU A 20 -7.487 -12.746 -6.424 1.00 0.00 C ATOM 0 H LEU A 20 -11.426 -13.904 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.343 -13.917 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.780 -11.757 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.482 -11.408 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.183 -13.246 -7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.015 -11.359 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.720 -10.974 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.437 -10.318 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.773 -12.910 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.144 -11.923 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.569 -13.651 -5.822 1.00 0.00 H new ATOM 320 N GLN A 21 -10.276 -12.732 -2.750 1.00 0.00 N ATOM 321 CA GLN A 21 -10.872 -12.326 -1.478 1.00 0.00 C ATOM 322 C GLN A 21 -10.486 -10.889 -1.120 1.00 0.00 C ATOM 323 O GLN A 21 -9.347 -10.474 -1.347 1.00 0.00 O ATOM 324 CB GLN A 21 -10.431 -13.275 -0.358 1.00 0.00 C ATOM 325 CG GLN A 21 -10.788 -14.733 -0.610 1.00 0.00 C ATOM 326 CD GLN A 21 -12.284 -14.960 -0.730 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.844 -14.910 -1.825 1.00 0.00 O ATOM 328 NE2 GLN A 21 -12.940 -15.205 0.400 1.00 0.00 N ATOM 0 H GLN A 21 -9.259 -12.806 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.956 -12.374 -1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.352 -13.192 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.890 -12.955 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.300 -15.069 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.396 -15.344 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.435 -15.237 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.948 -15.361 0.381 1.00 0.00 H new ATOM 337 N PRO A 22 -11.435 -10.112 -0.554 1.00 0.00 N ATOM 338 CA PRO A 22 -11.195 -8.712 -0.160 1.00 0.00 C ATOM 339 C PRO A 22 -10.051 -8.567 0.844 1.00 0.00 C ATOM 340 O PRO A 22 -9.550 -9.558 1.378 1.00 0.00 O ATOM 341 CB PRO A 22 -12.524 -8.281 0.475 1.00 0.00 C ATOM 342 CG PRO A 22 -13.534 -9.222 -0.082 1.00 0.00 C ATOM 343 CD PRO A 22 -12.818 -10.529 -0.259 1.00 0.00 C ATOM 0 HA PRO A 22 -10.897 -8.102 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.482 -8.344 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.765 -7.248 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.383 -9.329 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.926 -8.858 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.871 -11.143 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.245 -11.116 -1.072 1.00 0.00 H new ATOM 351 N LEU A 23 -9.646 -7.322 1.100 1.00 0.00 N ATOM 352 CA LEU A 23 -8.554 -7.044 2.032 1.00 0.00 C ATOM 353 C LEU A 23 -8.806 -5.760 2.821 1.00 0.00 C ATOM 354 O LEU A 23 -9.539 -4.879 2.374 1.00 0.00 O ATOM 355 CB LEU A 23 -7.232 -6.930 1.270 1.00 0.00 C ATOM 356 CG LEU A 23 -5.978 -6.859 2.145 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.777 -8.165 2.896 1.00 0.00 C ATOM 358 CD2 LEU A 23 -4.757 -6.534 1.302 1.00 0.00 C ATOM 0 H LEU A 23 -10.058 -6.491 0.675 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.500 -7.872 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.141 -7.787 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.269 -6.039 0.643 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.113 -6.061 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.881 -8.096 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.641 -8.356 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.664 -8.981 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.875 -6.488 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.618 -7.309 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.900 -5.572 0.811 1.00 0.00 H new ATOM 370 N THR A 24 -8.191 -5.665 4.000 1.00 0.00 N ATOM 371 CA THR A 24 -8.332 -4.486 4.853 1.00 0.00 C ATOM 372 C THR A 24 -7.094 -4.303 5.732 1.00 0.00 C ATOM 373 O THR A 24 -7.075 -4.711 6.896 1.00 0.00 O ATOM 374 CB THR A 24 -9.592 -4.569 5.746 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.731 -4.951 4.963 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.868 -3.230 6.416 1.00 0.00 C ATOM 0 H THR A 24 -7.589 -6.392 4.386 1.00 0.00 H new ATOM 0 HA THR A 24 -8.438 -3.626 4.192 1.00 0.00 H new ATOM 0 HB THR A 24 -9.411 -5.320 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.522 -5.002 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.759 -3.312 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.016 -2.951 7.036 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.027 -2.468 5.653 1.00 0.00 H new ATOM 384 N ILE A 25 -6.054 -3.695 5.157 1.00 0.00 N ATOM 385 CA ILE A 25 -4.798 -3.468 5.874 1.00 0.00 C ATOM 386 C ILE A 25 -4.231 -2.078 5.566 1.00 0.00 C ATOM 387 O ILE A 25 -4.480 -1.522 4.494 1.00 0.00 O ATOM 388 CB ILE A 25 -3.754 -4.552 5.510 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.655 -4.630 6.574 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.152 -4.291 4.135 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.077 -5.381 7.818 1.00 0.00 C ATOM 0 H ILE A 25 -6.057 -3.351 4.197 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.013 -3.528 6.941 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.267 -5.513 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.778 -5.115 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.356 -3.619 6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.422 -5.067 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.942 -4.301 3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.661 -3.318 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.252 -5.398 8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.935 -4.884 8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.348 -6.403 7.552 1.00 0.00 H new ATOM 403 N SER A 26 -3.468 -1.524 6.511 1.00 0.00 N ATOM 404 CA SER A 26 -2.874 -0.198 6.336 1.00 0.00 C ATOM 405 C SER A 26 -1.343 -0.254 6.306 1.00 0.00 C ATOM 406 O SER A 26 -0.741 -1.325 6.368 1.00 0.00 O ATOM 407 CB SER A 26 -3.335 0.738 7.455 1.00 0.00 C ATOM 408 OG SER A 26 -3.016 2.085 7.156 1.00 0.00 O ATOM 0 H SER A 26 -3.248 -1.971 7.401 1.00 0.00 H new ATOM 0 HA SER A 26 -3.212 0.185 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.411 0.639 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.862 0.449 8.393 1.00 0.00 H new ATOM 0 HG SER A 26 -2.237 2.362 7.683 1.00 0.00 H new ATOM 414 N LEU A 27 -0.735 0.929 6.204 1.00 0.00 N ATOM 415 CA LEU A 27 0.721 1.092 6.166 1.00 0.00 C ATOM 416 C LEU A 27 1.423 0.391 7.332 1.00 0.00 C ATOM 417 O LEU A 27 2.213 -0.530 7.126 1.00 0.00 O ATOM 418 CB LEU A 27 1.068 2.585 6.201 1.00 0.00 C ATOM 419 CG LEU A 27 0.388 3.443 5.130 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.891 4.874 5.200 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.622 2.861 3.742 1.00 0.00 C ATOM 0 H LEU A 27 -1.244 1.811 6.145 1.00 0.00 H new ATOM 0 HA LEU A 27 1.073 0.631 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.802 2.980 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.148 2.692 6.097 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.685 3.443 5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.398 5.471 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.668 5.290 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.968 4.889 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.130 3.487 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.692 2.827 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.212 1.852 3.697 1.00 0.00 H new ATOM 433 N ASP A 28 1.118 0.828 8.555 1.00 0.00 N ATOM 434 CA ASP A 28 1.744 0.271 9.756 1.00 0.00 C ATOM 435 C ASP A 28 1.438 -1.217 9.921 1.00 0.00 C ATOM 436 O ASP A 28 2.313 -1.996 10.305 1.00 0.00 O ATOM 437 CB ASP A 28 1.282 1.044 10.997 1.00 0.00 C ATOM 438 CG ASP A 28 1.950 0.560 12.271 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.054 1.054 12.587 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.370 -0.311 12.952 1.00 0.00 O ATOM 0 H ASP A 28 0.440 1.567 8.740 1.00 0.00 H new ATOM 0 HA ASP A 28 2.823 0.375 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.495 2.104 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.201 0.947 11.099 1.00 0.00 H new ATOM 445 N GLU A 29 0.200 -1.608 9.626 1.00 0.00 N ATOM 446 CA GLU A 29 -0.216 -3.003 9.754 1.00 0.00 C ATOM 447 C GLU A 29 0.338 -3.878 8.628 1.00 0.00 C ATOM 448 O GLU A 29 0.331 -5.106 8.743 1.00 0.00 O ATOM 449 CB GLU A 29 -1.744 -3.113 9.776 1.00 0.00 C ATOM 450 CG GLU A 29 -2.404 -2.404 10.948 1.00 0.00 C ATOM 451 CD GLU A 29 -2.774 -0.967 10.635 1.00 0.00 C ATOM 452 OE1 GLU A 29 -1.905 -0.083 10.779 1.00 0.00 O ATOM 453 OE2 GLU A 29 -3.936 -0.726 10.247 1.00 0.00 O ATOM 0 H GLU A 29 -0.532 -0.979 9.297 1.00 0.00 H new ATOM 0 HA GLU A 29 0.193 -3.365 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.140 -2.702 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.021 -4.167 9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.302 -2.950 11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.729 -2.422 11.804 1.00 0.00 H new ATOM 460 N LEU A 30 0.820 -3.260 7.542 1.00 0.00 N ATOM 461 CA LEU A 30 1.348 -4.026 6.415 1.00 0.00 C ATOM 462 C LEU A 30 2.855 -3.812 6.205 1.00 0.00 C ATOM 463 O LEU A 30 3.382 -4.121 5.136 1.00 0.00 O ATOM 464 CB LEU A 30 0.577 -3.681 5.137 1.00 0.00 C ATOM 465 CG LEU A 30 0.740 -4.669 3.980 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.238 -6.050 4.377 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.003 -4.166 2.749 1.00 0.00 C ATOM 0 H LEU A 30 0.854 -2.247 7.424 1.00 0.00 H new ATOM 0 HA LEU A 30 1.210 -5.081 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.483 -3.607 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.895 -2.695 4.797 1.00 0.00 H new ATOM 0 HG LEU A 30 1.801 -4.749 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.363 -6.737 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.808 -6.412 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.817 -5.991 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.128 -4.879 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.057 -4.059 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.410 -3.199 2.451 1.00 0.00 H new ATOM 479 N PHE A 31 3.548 -3.290 7.224 1.00 0.00 N ATOM 480 CA PHE A 31 4.994 -3.085 7.121 1.00 0.00 C ATOM 481 C PHE A 31 5.680 -3.322 8.466 1.00 0.00 C ATOM 482 O PHE A 31 5.148 -2.952 9.515 1.00 0.00 O ATOM 483 CB PHE A 31 5.327 -1.685 6.585 1.00 0.00 C ATOM 484 CG PHE A 31 4.978 -1.490 5.134 1.00 0.00 C ATOM 485 CD1 PHE A 31 5.578 -2.265 4.155 1.00 0.00 C ATOM 486 CD2 PHE A 31 4.056 -0.529 4.748 1.00 0.00 C ATOM 487 CE1 PHE A 31 5.266 -2.087 2.823 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.739 -0.348 3.415 1.00 0.00 C ATOM 489 CZ PHE A 31 4.345 -1.129 2.452 1.00 0.00 C ATOM 0 H PHE A 31 3.138 -3.007 8.114 1.00 0.00 H new ATOM 0 HA PHE A 31 5.376 -3.816 6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.795 -0.943 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.392 -1.498 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.299 -3.018 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.580 0.085 5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.743 -2.698 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.018 0.403 3.127 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.099 -0.991 1.410 1.00 0.00 H new ATOM 499 N SER A 32 6.862 -3.938 8.429 1.00 0.00 N ATOM 500 CA SER A 32 7.617 -4.232 9.647 1.00 0.00 C ATOM 501 C SER A 32 9.091 -3.839 9.496 1.00 0.00 C ATOM 502 O SER A 32 9.974 -4.490 10.059 1.00 0.00 O ATOM 503 CB SER A 32 7.523 -5.732 9.948 1.00 0.00 C ATOM 504 OG SER A 32 6.178 -6.131 10.152 1.00 0.00 O ATOM 0 H SER A 32 7.317 -4.243 7.569 1.00 0.00 H new ATOM 0 HA SER A 32 7.189 -3.652 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.952 -6.299 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.113 -5.965 10.835 1.00 0.00 H new ATOM 0 HG SER A 32 6.147 -7.092 10.340 1.00 0.00 H new ATOM 510 N SER A 33 9.352 -2.763 8.750 1.00 0.00 N ATOM 511 CA SER A 33 10.721 -2.298 8.532 1.00 0.00 C ATOM 512 C SER A 33 10.748 -0.862 8.009 1.00 0.00 C ATOM 513 O SER A 33 9.988 -0.504 7.106 1.00 0.00 O ATOM 514 CB SER A 33 11.453 -3.230 7.560 1.00 0.00 C ATOM 515 OG SER A 33 12.736 -2.725 7.230 1.00 0.00 O ATOM 0 H SER A 33 8.636 -2.201 8.289 1.00 0.00 H new ATOM 0 HA SER A 33 11.234 -2.314 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.553 -4.219 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.862 -3.349 6.652 1.00 0.00 H new ATOM 0 HG SER A 33 13.180 -3.341 6.610 1.00 0.00 H new ATOM 521 N ARG A 34 11.634 -0.047 8.586 1.00 0.00 N ATOM 522 CA ARG A 34 11.777 1.354 8.187 1.00 0.00 C ATOM 523 C ARG A 34 12.268 1.470 6.743 1.00 0.00 C ATOM 524 O ARG A 34 11.718 2.245 5.957 1.00 0.00 O ATOM 525 CB ARG A 34 12.732 2.088 9.140 1.00 0.00 C ATOM 526 CG ARG A 34 14.118 1.460 9.232 1.00 0.00 C ATOM 527 CD ARG A 34 14.919 2.032 10.393 1.00 0.00 C ATOM 528 NE ARG A 34 15.258 3.442 10.196 1.00 0.00 N ATOM 529 CZ ARG A 34 16.038 4.142 11.023 1.00 0.00 C ATOM 530 NH1 ARG A 34 16.557 3.575 12.108 1.00 0.00 N ATOM 531 NH2 ARG A 34 16.300 5.419 10.763 1.00 0.00 N ATOM 0 H ARG A 34 12.265 -0.335 9.334 1.00 0.00 H new ATOM 0 HA ARG A 34 10.795 1.823 8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.834 3.122 8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.288 2.112 10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.021 0.381 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.657 1.629 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.346 1.924 11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.835 1.455 10.518 1.00 0.00 H new ATOM 0 HE ARG A 34 14.876 3.918 9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.360 2.596 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.152 4.119 12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.905 5.862 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.896 5.956 11.393 1.00 0.00 H new ATOM 545 N GLY A 35 13.303 0.697 6.399 1.00 0.00 N ATOM 546 CA GLY A 35 13.839 0.721 5.046 1.00 0.00 C ATOM 547 C GLY A 35 12.878 0.120 4.039 1.00 0.00 C ATOM 548 O GLY A 35 12.858 0.522 2.875 1.00 0.00 O ATOM 0 H GLY A 35 13.778 0.056 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.062 1.750 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.780 0.172 5.020 1.00 0.00 H new ATOM 552 N GLU A 36 12.082 -0.855 4.489 1.00 0.00 N ATOM 553 CA GLU A 36 11.096 -1.509 3.634 1.00 0.00 C ATOM 554 C GLU A 36 10.116 -0.482 3.068 1.00 0.00 C ATOM 555 O GLU A 36 9.776 -0.526 1.885 1.00 0.00 O ATOM 556 CB GLU A 36 10.346 -2.581 4.430 1.00 0.00 C ATOM 557 CG GLU A 36 9.259 -3.293 3.643 1.00 0.00 C ATOM 558 CD GLU A 36 8.647 -4.444 4.417 1.00 0.00 C ATOM 559 OE1 GLU A 36 8.030 -4.189 5.474 1.00 0.00 O ATOM 560 OE2 GLU A 36 8.792 -5.602 3.973 1.00 0.00 O ATOM 0 H GLU A 36 12.105 -1.208 5.446 1.00 0.00 H new ATOM 0 HA GLU A 36 11.612 -1.985 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.063 -3.320 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.899 -2.118 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.478 -2.580 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.677 -3.668 2.709 1.00 0.00 H new ATOM 567 N PHE A 37 9.671 0.444 3.925 1.00 0.00 N ATOM 568 CA PHE A 37 8.745 1.497 3.513 1.00 0.00 C ATOM 569 C PHE A 37 9.356 2.345 2.395 1.00 0.00 C ATOM 570 O PHE A 37 8.657 2.772 1.477 1.00 0.00 O ATOM 571 CB PHE A 37 8.375 2.382 4.708 1.00 0.00 C ATOM 572 CG PHE A 37 7.210 3.296 4.446 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.931 2.784 4.299 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.395 4.666 4.347 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.858 3.619 4.060 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.325 5.507 4.108 1.00 0.00 C ATOM 577 CZ PHE A 37 5.055 4.984 3.964 1.00 0.00 C ATOM 0 H PHE A 37 9.939 0.483 4.908 1.00 0.00 H new ATOM 0 HA PHE A 37 7.838 1.026 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.141 1.746 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.241 2.983 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.771 1.718 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.386 5.081 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.866 3.207 3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.482 6.573 4.034 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.218 5.640 3.777 1.00 0.00 H new ATOM 587 N ILE A 38 10.662 2.610 2.494 1.00 0.00 N ATOM 588 CA ILE A 38 11.372 3.384 1.479 1.00 0.00 C ATOM 589 C ILE A 38 11.223 2.752 0.092 1.00 0.00 C ATOM 590 O ILE A 38 10.789 3.420 -0.847 1.00 0.00 O ATOM 591 CB ILE A 38 12.874 3.523 1.826 1.00 0.00 C ATOM 592 CG1 ILE A 38 13.045 4.211 3.186 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.608 4.300 0.740 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.359 5.561 3.279 1.00 0.00 C ATOM 0 H ILE A 38 11.247 2.298 3.269 1.00 0.00 H new ATOM 0 HA ILE A 38 10.922 4.376 1.463 1.00 0.00 H new ATOM 0 HB ILE A 38 13.308 2.525 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.650 3.559 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.109 4.340 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.662 4.386 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.513 3.775 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.174 5.296 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.524 5.986 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.770 6.231 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.289 5.438 3.111 1.00 0.00 H new ATOM 606 N SER A 39 11.585 1.467 -0.033 1.00 0.00 N ATOM 607 CA SER A 39 11.494 0.773 -1.322 1.00 0.00 C ATOM 608 C SER A 39 10.076 0.876 -1.881 1.00 0.00 C ATOM 609 O SER A 39 9.863 1.507 -2.918 1.00 0.00 O ATOM 610 CB SER A 39 11.912 -0.696 -1.186 1.00 0.00 C ATOM 611 OG SER A 39 13.265 -0.806 -0.777 1.00 0.00 O ATOM 0 H SER A 39 11.939 0.895 0.733 1.00 0.00 H new ATOM 0 HA SER A 39 12.180 1.256 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.268 -1.195 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.774 -1.206 -2.139 1.00 0.00 H new ATOM 0 HG SER A 39 13.506 -1.752 -0.696 1.00 0.00 H new ATOM 617 N VAL A 40 9.120 0.232 -1.201 1.00 0.00 N ATOM 618 CA VAL A 40 7.715 0.206 -1.628 1.00 0.00 C ATOM 619 C VAL A 40 7.230 1.499 -2.285 1.00 0.00 C ATOM 620 O VAL A 40 6.438 1.441 -3.228 1.00 0.00 O ATOM 621 CB VAL A 40 6.764 -0.163 -0.467 1.00 0.00 C ATOM 622 CG1 VAL A 40 7.002 -1.599 -0.020 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.924 0.794 0.703 1.00 0.00 C ATOM 0 H VAL A 40 9.298 -0.285 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 40 7.685 -0.572 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 40 5.740 -0.076 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.324 -1.842 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.820 -2.275 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.033 -1.709 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.242 0.508 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.950 0.753 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.695 1.809 0.377 1.00 0.00 H new ATOM 633 N GLY A 41 7.685 2.664 -1.811 1.00 0.00 N ATOM 634 CA GLY A 41 7.251 3.919 -2.400 1.00 0.00 C ATOM 635 C GLY A 41 6.751 4.898 -1.351 1.00 0.00 C ATOM 636 O GLY A 41 5.712 5.533 -1.536 1.00 0.00 O ATOM 0 H GLY A 41 8.341 2.756 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.079 4.367 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.458 3.725 -3.122 1.00 0.00 H new ATOM 640 N GLY A 42 7.498 5.026 -0.249 1.00 0.00 N ATOM 641 CA GLY A 42 7.101 5.921 0.823 1.00 0.00 C ATOM 642 C GLY A 42 8.102 7.031 1.078 1.00 0.00 C ATOM 643 O GLY A 42 9.136 6.809 1.714 1.00 0.00 O ATOM 0 H GLY A 42 8.370 4.524 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.134 6.362 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.967 5.344 1.738 1.00 0.00 H new ATOM 647 N ASP A 43 7.791 8.226 0.583 1.00 0.00 N ATOM 648 CA ASP A 43 8.634 9.398 0.810 1.00 0.00 C ATOM 649 C ASP A 43 8.232 10.042 2.140 1.00 0.00 C ATOM 650 O ASP A 43 8.884 9.804 3.159 1.00 0.00 O ATOM 651 CB ASP A 43 8.502 10.395 -0.346 1.00 0.00 C ATOM 652 CG ASP A 43 9.036 9.843 -1.654 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.254 9.212 -2.396 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.237 10.041 -1.937 1.00 0.00 O ATOM 0 H ASP A 43 6.960 8.409 0.021 1.00 0.00 H new ATOM 0 HA ASP A 43 9.680 9.094 0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.453 10.665 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.039 11.310 -0.095 1.00 0.00 H new ATOM 659 N GLY A 44 7.167 10.849 2.140 1.00 0.00 N ATOM 660 CA GLY A 44 6.742 11.500 3.371 1.00 0.00 C ATOM 661 C GLY A 44 5.281 11.900 3.365 1.00 0.00 C ATOM 662 O GLY A 44 4.478 11.317 4.086 1.00 0.00 O ATOM 0 H GLY A 44 6.599 11.061 1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.924 10.829 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.354 12.387 3.534 1.00 0.00 H new ATOM 666 N ARG A 45 4.933 12.905 2.566 1.00 0.00 N ATOM 667 CA ARG A 45 3.551 13.370 2.492 1.00 0.00 C ATOM 668 C ARG A 45 2.803 12.692 1.350 1.00 0.00 C ATOM 669 O ARG A 45 2.867 13.129 0.198 1.00 0.00 O ATOM 670 CB ARG A 45 3.502 14.891 2.341 1.00 0.00 C ATOM 671 CG ARG A 45 3.850 15.630 3.620 1.00 0.00 C ATOM 672 CD ARG A 45 4.002 17.121 3.380 1.00 0.00 C ATOM 673 NE ARG A 45 4.356 17.842 4.602 1.00 0.00 N ATOM 674 CZ ARG A 45 5.009 19.007 4.622 1.00 0.00 C ATOM 675 NH1 ARG A 45 5.382 19.595 3.487 1.00 0.00 N ATOM 676 NH2 ARG A 45 5.291 19.587 5.783 1.00 0.00 N ATOM 0 H ARG A 45 5.584 13.410 1.964 1.00 0.00 H new ATOM 0 HA ARG A 45 3.055 13.100 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.193 15.194 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.503 15.186 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.072 15.458 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.777 15.231 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.770 17.290 2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.069 17.520 2.981 1.00 0.00 H new ATOM 0 HE ARG A 45 4.087 17.429 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.169 19.156 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.880 20.485 3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.009 19.143 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.790 20.477 5.801 1.00 0.00 H new ATOM 690 N MET A 46 2.102 11.612 1.684 1.00 0.00 N ATOM 691 CA MET A 46 1.327 10.858 0.701 1.00 0.00 C ATOM 692 C MET A 46 -0.068 11.463 0.545 1.00 0.00 C ATOM 693 O MET A 46 -0.501 12.264 1.377 1.00 0.00 O ATOM 694 CB MET A 46 1.233 9.389 1.116 1.00 0.00 C ATOM 695 CG MET A 46 0.942 8.445 -0.041 1.00 0.00 C ATOM 696 SD MET A 46 2.041 7.015 -0.063 1.00 0.00 S ATOM 697 CE MET A 46 3.627 7.811 -0.310 1.00 0.00 C ATOM 0 H MET A 46 2.054 11.238 2.632 1.00 0.00 H new ATOM 0 HA MET A 46 1.835 10.914 -0.262 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.170 9.093 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.450 9.282 1.867 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.091 8.104 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.039 8.988 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.108 7.396 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.479 8.882 -0.445 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.260 7.639 0.561 1.00 0.00 H new ATOM 707 N SER A 47 -0.771 11.076 -0.519 1.00 0.00 N ATOM 708 CA SER A 47 -2.108 11.603 -0.779 1.00 0.00 C ATOM 709 C SER A 47 -3.191 10.808 -0.050 1.00 0.00 C ATOM 710 O SER A 47 -3.718 11.249 0.973 1.00 0.00 O ATOM 711 CB SER A 47 -2.390 11.622 -2.284 1.00 0.00 C ATOM 712 OG SER A 47 -1.588 12.586 -2.945 1.00 0.00 O ATOM 0 H SER A 47 -0.439 10.404 -1.210 1.00 0.00 H new ATOM 0 HA SER A 47 -2.135 12.622 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.198 10.635 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.444 11.842 -2.456 1.00 0.00 H new ATOM 0 HG SER A 47 -0.860 12.135 -3.421 1.00 0.00 H new ATOM 718 N HIS A 48 -3.508 9.633 -0.592 1.00 0.00 N ATOM 719 CA HIS A 48 -4.550 8.763 -0.054 1.00 0.00 C ATOM 720 C HIS A 48 -4.523 7.407 -0.756 1.00 0.00 C ATOM 721 O HIS A 48 -4.137 6.407 -0.145 1.00 0.00 O ATOM 722 CB HIS A 48 -5.923 9.422 -0.239 1.00 0.00 C ATOM 723 CG HIS A 48 -7.068 8.565 0.209 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.668 8.697 1.444 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.722 7.558 -0.419 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.639 7.807 1.557 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.692 7.105 0.440 1.00 0.00 N ATOM 0 H HIS A 48 -3.047 9.257 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.367 8.609 1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.944 10.360 0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.058 9.672 -1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.518 7.182 -1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.280 7.676 2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.348 6.348 0.247 1.00 0.00 H new ATOM 736 N LYS A 49 -4.931 7.358 -2.026 1.00 0.00 N ATOM 737 CA LYS A 49 -4.900 6.106 -2.779 1.00 0.00 C ATOM 738 C LYS A 49 -3.463 5.577 -2.866 1.00 0.00 C ATOM 739 O LYS A 49 -3.241 4.366 -2.921 1.00 0.00 O ATOM 740 CB LYS A 49 -5.476 6.319 -4.179 1.00 0.00 C ATOM 741 CG LYS A 49 -5.607 5.042 -4.993 1.00 0.00 C ATOM 742 CD LYS A 49 -6.678 4.116 -4.429 1.00 0.00 C ATOM 743 CE LYS A 49 -6.103 3.124 -3.427 1.00 0.00 C ATOM 744 NZ LYS A 49 -5.184 2.143 -4.071 1.00 0.00 N ATOM 0 H LYS A 49 -5.282 8.161 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.511 5.367 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.458 6.784 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.840 7.019 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.851 5.293 -6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.649 4.522 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.454 4.710 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.154 3.572 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.566 3.666 -2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.918 2.590 -2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.366 1.975 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.688 1.247 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.855 2.522 -4.982 1.00 0.00 H new ATOM 758 N GLU A 50 -2.496 6.499 -2.872 1.00 0.00 N ATOM 759 CA GLU A 50 -1.079 6.150 -2.949 1.00 0.00 C ATOM 760 C GLU A 50 -0.626 5.346 -1.728 1.00 0.00 C ATOM 761 O GLU A 50 0.101 4.360 -1.865 1.00 0.00 O ATOM 762 CB GLU A 50 -0.237 7.425 -3.060 1.00 0.00 C ATOM 763 CG GLU A 50 -0.449 8.192 -4.355 1.00 0.00 C ATOM 764 CD GLU A 50 0.487 9.378 -4.488 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.141 10.467 -3.985 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.569 9.217 -5.091 1.00 0.00 O ATOM 0 H GLU A 50 -2.674 7.502 -2.824 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.938 5.529 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.472 8.078 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.817 7.161 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.301 7.520 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.481 8.540 -4.402 1.00 0.00 H new ATOM 773 N ALA A 51 -1.060 5.776 -0.539 1.00 0.00 N ATOM 774 CA ALA A 51 -0.687 5.105 0.707 1.00 0.00 C ATOM 775 C ALA A 51 -1.084 3.632 0.690 1.00 0.00 C ATOM 776 O ALA A 51 -0.221 2.764 0.833 1.00 0.00 O ATOM 777 CB ALA A 51 -1.308 5.814 1.902 1.00 0.00 C ATOM 0 H ALA A 51 -1.669 6.585 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 51 0.398 5.153 0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.020 5.301 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.956 6.845 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.394 5.804 1.807 1.00 0.00 H new ATOM 783 N ILE A 52 -2.374 3.338 0.514 1.00 0.00 N ATOM 784 CA ILE A 52 -2.823 1.946 0.522 1.00 0.00 C ATOM 785 C ILE A 52 -2.095 1.151 -0.562 1.00 0.00 C ATOM 786 O ILE A 52 -1.572 0.069 -0.291 1.00 0.00 O ATOM 787 CB ILE A 52 -4.352 1.825 0.365 1.00 0.00 C ATOM 788 CG1 ILE A 52 -5.060 2.639 1.455 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.788 0.366 0.410 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.758 2.174 2.866 1.00 0.00 C ATOM 0 H ILE A 52 -3.111 4.028 0.367 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.574 1.525 1.496 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.634 2.228 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.770 3.685 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.136 2.590 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.870 0.306 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.308 -0.182 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.498 -0.071 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.296 2.800 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.074 1.137 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.687 2.250 3.053 1.00 0.00 H new ATOM 802 N LEU A 53 -2.080 1.682 -1.787 1.00 0.00 N ATOM 803 CA LEU A 53 -1.481 0.980 -2.929 1.00 0.00 C ATOM 804 C LEU A 53 -0.068 0.458 -2.644 1.00 0.00 C ATOM 805 O LEU A 53 0.359 -0.524 -3.254 1.00 0.00 O ATOM 806 CB LEU A 53 -1.491 1.867 -4.176 1.00 0.00 C ATOM 807 CG LEU A 53 -1.000 1.204 -5.468 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.959 0.110 -5.909 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.833 2.244 -6.567 1.00 0.00 C ATOM 0 H LEU A 53 -2.475 2.594 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.101 0.103 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.508 2.225 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.872 2.743 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.030 0.747 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.592 -0.347 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.029 -0.648 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.945 0.540 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.484 1.758 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.791 2.728 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.105 2.992 -6.253 1.00 0.00 H new ATOM 821 N LEU A 54 0.657 1.107 -1.729 1.00 0.00 N ATOM 822 CA LEU A 54 2.014 0.672 -1.387 1.00 0.00 C ATOM 823 C LEU A 54 2.036 -0.780 -0.875 1.00 0.00 C ATOM 824 O LEU A 54 3.072 -1.443 -0.944 1.00 0.00 O ATOM 825 CB LEU A 54 2.631 1.616 -0.349 1.00 0.00 C ATOM 826 CG LEU A 54 3.968 2.245 -0.743 1.00 0.00 C ATOM 827 CD1 LEU A 54 3.795 3.159 -1.945 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.557 3.010 0.433 1.00 0.00 C ATOM 0 H LEU A 54 0.332 1.927 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 54 2.611 0.708 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.920 2.416 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.769 1.065 0.581 1.00 0.00 H new ATOM 0 HG LEU A 54 4.659 1.448 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.757 3.597 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.414 2.583 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.090 3.953 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.509 3.453 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.868 3.798 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.717 2.327 1.268 1.00 0.00 H new ATOM 840 N GLY A 55 0.893 -1.265 -0.363 1.00 0.00 N ATOM 841 CA GLY A 55 0.812 -2.632 0.140 1.00 0.00 C ATOM 842 C GLY A 55 1.260 -3.664 -0.879 1.00 0.00 C ATOM 843 O GLY A 55 1.976 -4.605 -0.537 1.00 0.00 O ATOM 0 H GLY A 55 0.026 -0.733 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.428 -2.721 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.215 -2.844 0.437 1.00 0.00 H new ATOM 847 N LEU A 56 0.814 -3.502 -2.129 1.00 0.00 N ATOM 848 CA LEU A 56 1.172 -4.423 -3.213 1.00 0.00 C ATOM 849 C LEU A 56 2.673 -4.708 -3.232 1.00 0.00 C ATOM 850 O LEU A 56 3.086 -5.852 -3.421 1.00 0.00 O ATOM 851 CB LEU A 56 0.738 -3.857 -4.570 1.00 0.00 C ATOM 852 CG LEU A 56 -0.708 -3.353 -4.644 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.082 -3.015 -6.079 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.667 -4.381 -4.062 1.00 0.00 C ATOM 0 H LEU A 56 0.202 -2.738 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 56 0.646 -5.360 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.404 -3.035 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.874 -4.630 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.786 -2.444 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.112 -2.659 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.417 -2.238 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.986 -3.906 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.687 -4.003 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.589 -5.311 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.412 -4.567 -3.019 1.00 0.00 H new ATOM 866 N ARG A 57 3.483 -3.665 -3.043 1.00 0.00 N ATOM 867 CA ARG A 57 4.939 -3.815 -3.038 1.00 0.00 C ATOM 868 C ARG A 57 5.400 -4.709 -1.884 1.00 0.00 C ATOM 869 O ARG A 57 6.364 -5.464 -2.023 1.00 0.00 O ATOM 870 CB ARG A 57 5.620 -2.445 -2.948 1.00 0.00 C ATOM 871 CG ARG A 57 5.250 -1.497 -4.081 1.00 0.00 C ATOM 872 CD ARG A 57 5.368 -2.168 -5.442 1.00 0.00 C ATOM 873 NE ARG A 57 6.713 -2.695 -5.683 1.00 0.00 N ATOM 874 CZ ARG A 57 6.978 -3.946 -6.081 1.00 0.00 C ATOM 875 NH1 ARG A 57 5.996 -4.823 -6.285 1.00 0.00 N ATOM 876 NH2 ARG A 57 8.237 -4.322 -6.275 1.00 0.00 N ATOM 0 H ARG A 57 3.157 -2.710 -2.892 1.00 0.00 H new ATOM 0 HA ARG A 57 5.227 -4.292 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.356 -1.981 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.701 -2.587 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.230 -1.141 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.900 -0.622 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.644 -2.980 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.115 -1.450 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 57 7.503 -2.066 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.026 -4.545 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.215 -5.772 -6.588 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.997 -3.659 -6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.444 -5.274 -6.578 1.00 0.00 H new ATOM 890 N TYR A 58 4.703 -4.617 -0.749 1.00 0.00 N ATOM 891 CA TYR A 58 5.018 -5.429 0.427 1.00 0.00 C ATOM 892 C TYR A 58 4.810 -6.915 0.134 1.00 0.00 C ATOM 893 O TYR A 58 5.674 -7.746 0.418 1.00 0.00 O ATOM 894 CB TYR A 58 4.134 -5.011 1.606 1.00 0.00 C ATOM 895 CG TYR A 58 4.379 -5.805 2.872 1.00 0.00 C ATOM 896 CD1 TYR A 58 5.519 -5.597 3.637 1.00 0.00 C ATOM 897 CD2 TYR A 58 3.465 -6.759 3.301 1.00 0.00 C ATOM 898 CE1 TYR A 58 5.742 -6.320 4.793 1.00 0.00 C ATOM 899 CE2 TYR A 58 3.680 -7.484 4.456 1.00 0.00 C ATOM 900 CZ TYR A 58 4.821 -7.262 5.199 1.00 0.00 C ATOM 901 OH TYR A 58 5.041 -7.979 6.353 1.00 0.00 O ATOM 0 H TYR A 58 3.913 -3.985 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 58 6.065 -5.266 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.300 -3.954 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.088 -5.119 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.242 -4.859 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.571 -6.937 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.634 -6.148 5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.959 -8.221 4.776 1.00 0.00 H new ATOM 0 HH TYR A 58 4.298 -8.601 6.499 1.00 0.00 H new ATOM 911 N LYS A 59 3.646 -7.228 -0.439 1.00 0.00 N ATOM 912 CA LYS A 59 3.281 -8.599 -0.783 1.00 0.00 C ATOM 913 C LYS A 59 3.917 -9.056 -2.101 1.00 0.00 C ATOM 914 O LYS A 59 3.852 -10.238 -2.443 1.00 0.00 O ATOM 915 CB LYS A 59 1.758 -8.708 -0.884 1.00 0.00 C ATOM 916 CG LYS A 59 1.041 -8.411 0.425 1.00 0.00 C ATOM 917 CD LYS A 59 1.283 -9.504 1.454 1.00 0.00 C ATOM 918 CE LYS A 59 0.605 -9.187 2.778 1.00 0.00 C ATOM 919 NZ LYS A 59 0.816 -10.264 3.785 1.00 0.00 N ATOM 0 H LYS A 59 2.933 -6.538 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 59 3.659 -9.250 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.402 -8.018 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.494 -9.713 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.385 -7.455 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.029 -8.314 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.909 -10.454 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.355 -9.624 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.993 -8.246 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.464 -9.048 2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.338 -10.008 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.424 -11.157 3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.834 -10.380 3.962 1.00 0.00 H new ATOM 933 N LYS A 60 4.528 -8.120 -2.837 1.00 0.00 N ATOM 934 CA LYS A 60 5.169 -8.425 -4.115 1.00 0.00 C ATOM 935 C LYS A 60 4.133 -8.877 -5.147 1.00 0.00 C ATOM 936 O LYS A 60 4.108 -10.041 -5.555 1.00 0.00 O ATOM 937 CB LYS A 60 6.253 -9.498 -3.939 1.00 0.00 C ATOM 938 CG LYS A 60 7.342 -9.117 -2.944 1.00 0.00 C ATOM 939 CD LYS A 60 8.163 -7.928 -3.428 1.00 0.00 C ATOM 940 CE LYS A 60 8.921 -8.245 -4.710 1.00 0.00 C ATOM 941 NZ LYS A 60 9.880 -9.372 -4.533 1.00 0.00 N ATOM 0 H LYS A 60 4.590 -7.139 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 60 5.644 -7.514 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.783 -10.425 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.713 -9.699 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.888 -8.877 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.000 -9.971 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.504 -7.077 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.870 -7.635 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.210 -8.495 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.462 -7.358 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.513 -9.422 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.443 -9.217 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.354 -10.265 -4.446 1.00 0.00 H new ATOM 955 N LEU A 61 3.274 -7.942 -5.558 1.00 0.00 N ATOM 956 CA LEU A 61 2.232 -8.240 -6.544 1.00 0.00 C ATOM 957 C LEU A 61 1.583 -6.971 -7.111 1.00 0.00 C ATOM 958 O LEU A 61 0.419 -6.996 -7.510 1.00 0.00 O ATOM 959 CB LEU A 61 1.167 -9.160 -5.930 1.00 0.00 C ATOM 960 CG LEU A 61 0.843 -8.904 -4.450 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.295 -7.501 -4.245 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.146 -9.939 -3.936 1.00 0.00 C ATOM 0 H LEU A 61 3.278 -6.978 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 61 2.713 -8.752 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.248 -9.059 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.499 -10.193 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 61 1.769 -8.992 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.074 -7.347 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.035 -6.770 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.618 -7.378 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.365 -9.743 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.067 -9.881 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.284 -10.935 -4.037 1.00 0.00 H new ATOM 974 N TYR A 62 2.339 -5.873 -7.168 1.00 0.00 N ATOM 975 CA TYR A 62 1.822 -4.610 -7.702 1.00 0.00 C ATOM 976 C TYR A 62 1.349 -4.757 -9.156 1.00 0.00 C ATOM 977 O TYR A 62 0.501 -3.989 -9.616 1.00 0.00 O ATOM 978 CB TYR A 62 2.906 -3.529 -7.612 1.00 0.00 C ATOM 979 CG TYR A 62 2.461 -2.162 -8.091 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.586 -1.798 -9.428 1.00 0.00 C ATOM 981 CD2 TYR A 62 1.919 -1.239 -7.208 1.00 0.00 C ATOM 982 CE1 TYR A 62 2.182 -0.552 -9.868 1.00 0.00 C ATOM 983 CE2 TYR A 62 1.513 0.010 -7.641 1.00 0.00 C ATOM 984 CZ TYR A 62 1.646 0.348 -8.971 1.00 0.00 C ATOM 985 OH TYR A 62 1.242 1.592 -9.404 1.00 0.00 O ATOM 0 H TYR A 62 3.308 -5.832 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 62 0.960 -4.320 -7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.238 -3.449 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.768 -3.845 -8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.005 -2.500 -10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.812 -1.500 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.285 -0.284 -10.909 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.094 0.717 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 62 0.949 1.534 -10.337 1.00 0.00 H new ATOM 995 N ASN A 63 1.890 -5.751 -9.866 1.00 0.00 N ATOM 996 CA ASN A 63 1.542 -5.989 -11.268 1.00 0.00 C ATOM 997 C ASN A 63 0.058 -6.328 -11.461 1.00 0.00 C ATOM 998 O ASN A 63 -0.682 -5.551 -12.067 1.00 0.00 O ATOM 999 CB ASN A 63 2.408 -7.113 -11.847 1.00 0.00 C ATOM 1000 CG ASN A 63 3.890 -6.789 -11.803 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.576 -7.104 -10.829 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.393 -6.156 -12.857 1.00 0.00 N ATOM 0 H ASN A 63 2.574 -6.407 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 63 1.735 -5.058 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.224 -8.032 -11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.111 -7.301 -12.879 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.383 -5.912 -12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.789 -5.914 -13.643 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.374 -7.482 -10.941 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.765 -7.922 -11.105 1.00 0.00 C ATOM 1011 C GLN A 64 -2.663 -7.529 -9.928 1.00 0.00 C ATOM 1012 O GLN A 64 -3.873 -7.738 -10.004 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.819 -9.437 -11.307 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.195 -9.906 -12.613 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.210 -11.417 -12.763 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.108 -12.096 -12.260 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.212 -11.956 -13.456 1.00 0.00 N ATOM 0 H GLN A 64 0.213 -8.124 -10.408 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.149 -7.410 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.308 -9.923 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.859 -9.761 -11.275 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.732 -9.457 -13.449 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.166 -9.550 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.512 -11.359 -13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.170 -12.967 -13.588 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.120 -6.964 -8.853 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.958 -6.599 -7.709 1.00 0.00 C ATOM 1028 C ALA A 65 -3.822 -5.374 -8.007 1.00 0.00 C ATOM 1029 O ALA A 65 -4.958 -5.281 -7.536 1.00 0.00 O ATOM 1030 CB ALA A 65 -2.106 -6.361 -6.475 1.00 0.00 C ATOM 0 H ALA A 65 -1.128 -6.752 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.629 -7.436 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.748 -6.091 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.555 -7.270 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.403 -5.551 -6.669 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.281 -4.437 -8.789 1.00 0.00 N ATOM 1037 CA ARG A 66 -4.009 -3.220 -9.150 1.00 0.00 C ATOM 1038 C ARG A 66 -5.133 -3.516 -10.153 1.00 0.00 C ATOM 1039 O ARG A 66 -6.118 -2.779 -10.216 1.00 0.00 O ATOM 1040 CB ARG A 66 -3.044 -2.180 -9.727 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.653 -0.794 -9.877 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.603 0.247 -10.236 1.00 0.00 C ATOM 1043 NE ARG A 66 -2.043 0.034 -11.573 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.450 0.987 -12.298 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -1.347 2.229 -11.830 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.961 0.698 -13.499 1.00 0.00 N ATOM 0 H ARG A 66 -2.342 -4.498 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.466 -2.821 -8.245 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.168 -2.114 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.697 -2.522 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.422 -0.816 -10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.144 -0.510 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.048 1.241 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.800 0.219 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.110 -0.901 -11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.723 2.460 -10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.893 2.949 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.039 -0.250 -13.867 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.508 1.424 -14.054 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.980 -4.591 -10.934 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.989 -4.973 -11.923 1.00 0.00 C ATOM 1062 C VAL A 67 -6.982 -5.987 -11.347 1.00 0.00 C ATOM 1063 O VAL A 67 -8.176 -5.929 -11.642 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.350 -5.558 -13.206 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.419 -4.543 -13.851 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.606 -6.856 -12.912 1.00 0.00 C ATOM 0 H VAL A 67 -4.169 -5.209 -10.899 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.522 -4.059 -12.185 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.155 -5.785 -13.905 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.980 -4.973 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.983 -3.648 -14.114 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.626 -4.280 -13.151 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.169 -7.241 -13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.815 -6.666 -12.187 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.302 -7.590 -12.506 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.480 -6.909 -10.520 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.317 -7.937 -9.898 1.00 0.00 C ATOM 1078 C LYS A 68 -8.220 -7.354 -8.807 1.00 0.00 C ATOM 1079 O LYS A 68 -9.196 -7.986 -8.403 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.442 -9.044 -9.305 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.795 -9.935 -10.356 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.825 -10.793 -11.076 1.00 0.00 C ATOM 1083 CE LYS A 68 -6.206 -11.558 -12.237 1.00 0.00 C ATOM 1084 NZ LYS A 68 -5.155 -12.514 -11.786 1.00 0.00 N ATOM 0 H LYS A 68 -5.494 -6.964 -10.266 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.956 -8.352 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.661 -8.591 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.049 -9.660 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.265 -9.317 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.053 -10.578 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.269 -11.497 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.632 -10.160 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.987 -12.103 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.772 -10.852 -12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.217 -12.148 -12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.208 -12.626 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.306 -13.436 -12.242 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.883 -6.156 -8.325 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.669 -5.492 -7.291 1.00 0.00 C ATOM 1100 C TYR A 69 -8.963 -4.046 -7.685 1.00 0.00 C ATOM 1101 O TYR A 69 -8.233 -3.451 -8.481 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.925 -5.530 -5.954 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.820 -6.912 -5.350 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.828 -7.796 -5.753 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.711 -7.327 -4.369 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.727 -9.057 -5.197 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.618 -8.586 -3.809 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.624 -9.447 -4.226 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.526 -10.702 -3.669 1.00 0.00 O ATOM 0 H TYR A 69 -7.068 -5.627 -8.637 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.615 -6.023 -7.185 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.921 -5.129 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.433 -4.873 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.124 -7.493 -6.514 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.489 -6.655 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.950 -9.733 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.320 -8.895 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.096 -10.752 -2.873 1.00 0.00 H new ATOM 1119 N SER A 70 -10.033 -3.484 -7.125 1.00 0.00 N ATOM 1120 CA SER A 70 -10.415 -2.107 -7.425 1.00 0.00 C ATOM 1121 C SER A 70 -9.528 -1.117 -6.667 1.00 0.00 C ATOM 1122 O SER A 70 -9.817 -0.758 -5.522 1.00 0.00 O ATOM 1123 CB SER A 70 -11.890 -1.871 -7.082 1.00 0.00 C ATOM 1124 OG SER A 70 -12.307 -0.577 -7.485 1.00 0.00 O ATOM 0 H SER A 70 -10.648 -3.959 -6.464 1.00 0.00 H new ATOM 0 HA SER A 70 -10.275 -1.943 -8.493 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.506 -2.624 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.040 -1.987 -6.009 1.00 0.00 H new ATOM 0 HG SER A 70 -13.252 -0.452 -7.256 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.439 -0.692 -7.311 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.503 0.257 -6.708 1.00 0.00 C ATOM 1132 C LEU A 71 -7.448 1.550 -7.523 1.00 0.00 C ATOM 1133 O LEU A 71 -8.028 2.563 -7.129 1.00 0.00 O ATOM 1134 CB LEU A 71 -6.101 -0.358 -6.597 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.929 -1.415 -5.500 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.660 -2.697 -5.861 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.453 -1.696 -5.262 1.00 0.00 C ATOM 0 H LEU A 71 -8.184 -0.991 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.859 0.491 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.844 -0.809 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.384 0.444 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.364 -1.024 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.522 -3.430 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.723 -2.488 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.260 -3.093 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.347 -2.448 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.999 -2.063 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.953 -0.778 -4.952 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.751 1.508 -8.662 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.623 2.676 -9.529 1.00 0.00 C ATOM 1151 C LEU A 72 -7.466 2.504 -10.790 1.00 0.00 C ATOM 1152 O LEU A 72 -7.109 1.734 -11.685 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.155 2.911 -9.903 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.298 3.586 -8.825 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.827 4.978 -8.511 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.250 2.737 -7.563 1.00 0.00 C ATOM 0 H LEU A 72 -6.268 0.677 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.987 3.546 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.704 1.951 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.122 3.523 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.283 3.683 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.205 5.439 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.803 5.589 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.853 4.905 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.637 3.235 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.260 2.603 -7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.819 1.763 -7.796 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.588 3.220 -10.847 1.00 0.00 N ATOM 1169 CA GLU A 73 -9.490 3.147 -11.993 1.00 0.00 C ATOM 1170 C GLU A 73 -10.492 4.304 -11.980 1.00 0.00 C ATOM 1171 O GLU A 73 -10.359 5.206 -12.835 1.00 0.00 O ATOM 1172 CB GLU A 73 -10.223 1.799 -12.011 1.00 0.00 C ATOM 1173 CG GLU A 73 -10.734 1.353 -10.647 1.00 0.00 C ATOM 1174 CD GLU A 73 -11.272 -0.064 -10.662 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -10.458 -1.009 -10.597 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -12.507 -0.230 -10.740 1.00 0.00 O ATOM 0 H GLU A 73 -8.893 3.858 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.892 3.231 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.065 1.864 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.550 1.036 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.926 1.423 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.520 2.033 -10.317 1.00 0.00 H new TER 1183 GLU A 73