USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 166:sc= -0.0409 (180deg=-0.326) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.159 (180deg=-0.225) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.5) USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= -0.0284 (180deg=-0.231) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 26 ASN : amide:sc= -0.161 K(o=-0.16,f=0.73) USER MOD Single : A 29 HIS : no HD1:sc= -7.5! C(o=-7.5!,f=-7.1!) USER MOD Single : A 32 SER OG : rot -157:sc= 0.533 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.02! K(o=-2!,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -7.09! C(o=-7.1!,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= -7.73! C(o=-7.7!,f=-4.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0076) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.140 8.385 -1.804 1.00 0.00 N ATOM 2 CA MET A 1 14.376 9.502 -2.359 1.00 0.00 C ATOM 3 C MET A 1 13.072 9.030 -2.989 1.00 0.00 C ATOM 4 O MET A 1 12.072 9.745 -2.991 1.00 0.00 O ATOM 5 CB MET A 1 15.203 10.244 -3.414 1.00 0.00 C ATOM 6 CG MET A 1 15.535 9.395 -4.632 1.00 0.00 C ATOM 7 SD MET A 1 16.319 10.338 -5.956 1.00 0.00 S ATOM 8 CE MET A 1 17.821 10.892 -5.148 1.00 0.00 C ATOM 0 H1 MET A 1 15.970 8.751 -1.295 1.00 0.00 H new ATOM 0 H2 MET A 1 14.540 7.847 -1.147 1.00 0.00 H new ATOM 0 H3 MET A 1 15.454 7.762 -2.575 1.00 0.00 H new ATOM 0 HA MET A 1 14.141 10.175 -1.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.655 11.130 -3.737 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.131 10.591 -2.959 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.196 8.582 -4.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.620 8.939 -5.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.519 11.269 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.582 11.687 -4.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.277 10.057 -4.615 1.00 0.00 H new ATOM 18 N SER A 2 13.095 7.830 -3.539 1.00 0.00 N ATOM 19 CA SER A 2 11.938 7.282 -4.216 1.00 0.00 C ATOM 20 C SER A 2 11.804 5.809 -3.895 1.00 0.00 C ATOM 21 O SER A 2 12.807 5.133 -3.642 1.00 0.00 O ATOM 22 CB SER A 2 12.057 7.492 -5.724 1.00 0.00 C ATOM 23 OG SER A 2 12.124 8.874 -6.037 1.00 0.00 O ATOM 0 H SER A 2 13.908 7.214 -3.529 1.00 0.00 H new ATOM 0 HA SER A 2 11.045 7.800 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.948 6.987 -6.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.201 7.042 -6.227 1.00 0.00 H new ATOM 0 HG SER A 2 12.202 8.986 -7.007 1.00 0.00 H new ATOM 29 N ALA A 3 10.568 5.327 -3.914 1.00 0.00 N ATOM 30 CA ALA A 3 10.255 3.962 -3.517 1.00 0.00 C ATOM 31 C ALA A 3 10.791 3.700 -2.123 1.00 0.00 C ATOM 32 O ALA A 3 11.847 3.097 -1.941 1.00 0.00 O ATOM 33 CB ALA A 3 10.802 2.962 -4.520 1.00 0.00 C ATOM 0 H ALA A 3 9.756 5.871 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 3 9.172 3.838 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.553 1.951 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.361 3.150 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.885 3.066 -4.584 1.00 0.00 H new ATOM 39 N VAL A 4 10.038 4.151 -1.144 1.00 0.00 N ATOM 40 CA VAL A 4 10.473 4.105 0.243 1.00 0.00 C ATOM 41 C VAL A 4 9.714 3.021 0.980 1.00 0.00 C ATOM 42 O VAL A 4 8.497 2.906 0.830 1.00 0.00 O ATOM 43 CB VAL A 4 10.233 5.452 0.957 1.00 0.00 C ATOM 44 CG1 VAL A 4 11.036 5.531 2.246 1.00 0.00 C ATOM 45 CG2 VAL A 4 10.552 6.619 0.038 1.00 0.00 C ATOM 0 H VAL A 4 9.113 4.558 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 4 11.542 3.894 0.248 1.00 0.00 H new ATOM 0 HB VAL A 4 9.176 5.514 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.851 6.489 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.735 4.722 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.098 5.438 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.375 7.556 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.597 6.567 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.914 6.572 -0.844 1.00 0.00 H new ATOM 55 N GLN A 5 10.431 2.217 1.751 1.00 0.00 N ATOM 56 CA GLN A 5 9.809 1.156 2.512 1.00 0.00 C ATOM 57 C GLN A 5 8.865 1.766 3.526 1.00 0.00 C ATOM 58 O GLN A 5 9.278 2.393 4.503 1.00 0.00 O ATOM 59 CB GLN A 5 10.885 0.304 3.198 1.00 0.00 C ATOM 60 CG GLN A 5 10.422 -1.090 3.591 1.00 0.00 C ATOM 61 CD GLN A 5 9.508 -1.093 4.794 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.960 -1.174 5.936 1.00 0.00 O ATOM 63 NE2 GLN A 5 8.212 -1.023 4.542 1.00 0.00 N ATOM 0 H GLN A 5 11.443 2.283 1.863 1.00 0.00 H new ATOM 0 HA GLN A 5 9.240 0.504 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.742 0.215 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.230 0.825 4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.904 -1.546 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.293 -1.710 3.802 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.883 -0.957 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.542 -1.035 5.311 1.00 0.00 H new ATOM 72 N VAL A 6 7.592 1.577 3.269 1.00 0.00 N ATOM 73 CA VAL A 6 6.558 2.138 4.088 1.00 0.00 C ATOM 74 C VAL A 6 5.398 1.176 4.189 1.00 0.00 C ATOM 75 O VAL A 6 4.757 1.036 5.229 1.00 0.00 O ATOM 76 CB VAL A 6 6.062 3.460 3.484 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.507 3.252 2.084 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.000 4.033 4.363 1.00 0.00 C ATOM 0 H VAL A 6 7.249 1.027 2.482 1.00 0.00 H new ATOM 0 HA VAL A 6 6.967 2.323 5.081 1.00 0.00 H new ATOM 0 HB VAL A 6 6.905 4.147 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.164 4.206 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.287 2.847 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.671 2.554 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.644 4.972 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.170 3.330 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.409 4.216 5.357 1.00 0.00 H new ATOM 88 N LEU A 7 5.169 0.491 3.096 1.00 0.00 N ATOM 89 CA LEU A 7 4.011 -0.323 2.929 1.00 0.00 C ATOM 90 C LEU A 7 4.473 -1.762 2.780 1.00 0.00 C ATOM 91 O LEU A 7 5.613 -1.996 2.414 1.00 0.00 O ATOM 92 CB LEU A 7 3.270 0.189 1.681 1.00 0.00 C ATOM 93 CG LEU A 7 1.739 0.020 1.694 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.098 0.626 0.466 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.317 -1.424 1.820 1.00 0.00 C ATOM 0 H LEU A 7 5.796 0.489 2.292 1.00 0.00 H new ATOM 0 HA LEU A 7 3.330 -0.276 3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.499 1.247 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.666 -0.329 0.808 1.00 0.00 H new ATOM 0 HG LEU A 7 1.391 0.555 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.018 0.486 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.325 1.691 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.489 0.138 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.229 -1.486 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.710 -1.993 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.708 -1.837 2.750 1.00 0.00 H new ATOM 107 N LYS A 8 3.632 -2.712 3.130 1.00 0.00 N ATOM 108 CA LYS A 8 3.930 -4.102 2.925 1.00 0.00 C ATOM 109 C LYS A 8 2.641 -4.894 2.881 1.00 0.00 C ATOM 110 O LYS A 8 1.628 -4.489 3.454 1.00 0.00 O ATOM 111 CB LYS A 8 4.867 -4.650 4.010 1.00 0.00 C ATOM 112 CG LYS A 8 4.391 -4.465 5.439 1.00 0.00 C ATOM 113 CD LYS A 8 5.113 -3.312 6.122 1.00 0.00 C ATOM 114 CE LYS A 8 4.215 -2.092 6.283 1.00 0.00 C ATOM 115 NZ LYS A 8 3.093 -2.352 7.222 1.00 0.00 N ATOM 0 H LYS A 8 2.726 -2.537 3.564 1.00 0.00 H new ATOM 0 HA LYS A 8 4.451 -4.203 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.018 -5.714 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.839 -4.168 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.317 -4.278 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.557 -5.384 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.466 -3.634 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.994 -3.040 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.806 -1.251 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.816 -1.804 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.747 -1.450 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.321 -2.831 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.425 -2.957 8.000 1.00 0.00 H new ATOM 129 N PHE A 9 2.686 -6.005 2.191 1.00 0.00 N ATOM 130 CA PHE A 9 1.542 -6.872 2.048 1.00 0.00 C ATOM 131 C PHE A 9 1.926 -8.251 2.532 1.00 0.00 C ATOM 132 O PHE A 9 2.507 -9.040 1.791 1.00 0.00 O ATOM 133 CB PHE A 9 1.040 -6.921 0.597 1.00 0.00 C ATOM 134 CG PHE A 9 1.943 -6.268 -0.391 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.245 -6.660 -0.478 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.484 -5.272 -1.231 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.098 -6.087 -1.378 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.331 -4.685 -2.144 1.00 0.00 C ATOM 139 CZ PHE A 9 3.645 -5.094 -2.217 1.00 0.00 C ATOM 0 H PHE A 9 3.522 -6.336 1.709 1.00 0.00 H new ATOM 0 HA PHE A 9 0.720 -6.480 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.900 -7.963 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.062 -6.443 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.609 -7.438 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.454 -4.952 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.126 -6.413 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.967 -3.908 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.316 -4.638 -2.929 1.00 0.00 H new ATOM 149 N PRO A 10 1.659 -8.491 3.820 1.00 0.00 N ATOM 150 CA PRO A 10 1.909 -9.738 4.531 1.00 0.00 C ATOM 151 C PRO A 10 1.950 -10.982 3.657 1.00 0.00 C ATOM 152 O PRO A 10 0.916 -11.601 3.422 1.00 0.00 O ATOM 153 CB PRO A 10 0.666 -9.803 5.400 1.00 0.00 C ATOM 154 CG PRO A 10 0.306 -8.377 5.701 1.00 0.00 C ATOM 155 CD PRO A 10 1.067 -7.516 4.735 1.00 0.00 C ATOM 0 HA PRO A 10 2.880 -9.733 5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.147 -10.311 4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.858 -10.360 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.767 -8.220 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.564 -8.123 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.412 -6.819 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.829 -6.921 5.239 1.00 0.00 H new ATOM 163 N LEU A 11 3.152 -11.405 3.275 1.00 0.00 N ATOM 164 CA LEU A 11 3.312 -12.536 2.366 1.00 0.00 C ATOM 165 C LEU A 11 2.944 -13.838 3.059 1.00 0.00 C ATOM 166 O LEU A 11 2.822 -14.890 2.437 1.00 0.00 O ATOM 167 CB LEU A 11 4.744 -12.591 1.808 1.00 0.00 C ATOM 168 CG LEU A 11 5.891 -12.424 2.817 1.00 0.00 C ATOM 169 CD1 LEU A 11 5.921 -13.586 3.766 1.00 0.00 C ATOM 170 CD2 LEU A 11 7.220 -12.321 2.102 1.00 0.00 C ATOM 0 H LEU A 11 4.029 -10.982 3.580 1.00 0.00 H new ATOM 0 HA LEU A 11 2.632 -12.398 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.874 -13.548 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.843 -11.814 1.050 1.00 0.00 H new ATOM 0 HG LEU A 11 5.719 -11.505 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.738 -13.455 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.976 -13.639 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.071 -14.509 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.019 -12.203 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.391 -13.227 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.209 -11.459 1.435 1.00 0.00 H new ATOM 182 N SER A 12 2.754 -13.731 4.354 1.00 0.00 N ATOM 183 CA SER A 12 2.450 -14.857 5.196 1.00 0.00 C ATOM 184 C SER A 12 0.948 -14.990 5.470 1.00 0.00 C ATOM 185 O SER A 12 0.521 -15.939 6.127 1.00 0.00 O ATOM 186 CB SER A 12 3.197 -14.665 6.511 1.00 0.00 C ATOM 187 OG SER A 12 4.583 -14.941 6.371 1.00 0.00 O ATOM 0 H SER A 12 2.808 -12.845 4.856 1.00 0.00 H new ATOM 0 HA SER A 12 2.760 -15.771 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.063 -13.641 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.770 -15.319 7.271 1.00 0.00 H new ATOM 0 HG SER A 12 5.032 -14.807 7.232 1.00 0.00 H new ATOM 193 N VAL A 13 0.135 -14.064 4.956 1.00 0.00 N ATOM 194 CA VAL A 13 -1.284 -14.062 5.283 1.00 0.00 C ATOM 195 C VAL A 13 -2.124 -13.951 4.028 1.00 0.00 C ATOM 196 O VAL A 13 -1.619 -13.986 2.903 1.00 0.00 O ATOM 197 CB VAL A 13 -1.670 -12.904 6.259 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.594 -12.678 7.294 1.00 0.00 C ATOM 199 CG2 VAL A 13 -1.971 -11.607 5.516 1.00 0.00 C ATOM 0 H VAL A 13 0.432 -13.321 4.324 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.485 -15.009 5.783 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.582 -13.214 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.892 -11.866 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.452 -13.589 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.340 -12.415 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.235 -10.830 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.091 -11.298 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.803 -11.765 4.830 1.00 0.00 H new ATOM 209 N ASP A 14 -3.407 -13.826 4.261 1.00 0.00 N ATOM 210 CA ASP A 14 -4.397 -13.580 3.231 1.00 0.00 C ATOM 211 C ASP A 14 -4.293 -12.127 2.752 1.00 0.00 C ATOM 212 O ASP A 14 -5.242 -11.345 2.832 1.00 0.00 O ATOM 213 CB ASP A 14 -5.773 -13.874 3.823 1.00 0.00 C ATOM 214 CG ASP A 14 -6.905 -13.787 2.817 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.853 -14.489 1.788 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.861 -13.019 3.061 1.00 0.00 O ATOM 0 H ASP A 14 -3.807 -13.894 5.197 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.231 -14.223 2.367 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.764 -14.872 4.260 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.966 -13.172 4.635 1.00 0.00 H new ATOM 221 N LEU A 15 -3.107 -11.776 2.270 1.00 0.00 N ATOM 222 CA LEU A 15 -2.799 -10.430 1.823 1.00 0.00 C ATOM 223 C LEU A 15 -3.697 -9.961 0.700 1.00 0.00 C ATOM 224 O LEU A 15 -3.743 -8.779 0.436 1.00 0.00 O ATOM 225 CB LEU A 15 -1.347 -10.361 1.376 1.00 0.00 C ATOM 226 CG LEU A 15 -0.791 -11.651 0.776 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.417 -11.953 -0.570 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.692 -11.543 0.614 1.00 0.00 C ATOM 0 H LEU A 15 -2.327 -12.427 2.179 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.972 -9.765 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.247 -9.564 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.732 -10.083 2.232 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.034 -12.464 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.998 -12.878 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.495 -12.064 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.209 -11.135 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.079 -12.467 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.926 -10.710 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.153 -11.373 1.587 1.00 0.00 H new ATOM 240 N ALA A 16 -4.414 -10.868 0.048 1.00 0.00 N ATOM 241 CA ALA A 16 -5.298 -10.496 -1.058 1.00 0.00 C ATOM 242 C ALA A 16 -6.239 -9.367 -0.655 1.00 0.00 C ATOM 243 O ALA A 16 -6.738 -8.628 -1.499 1.00 0.00 O ATOM 244 CB ALA A 16 -6.081 -11.708 -1.532 1.00 0.00 C ATOM 0 H ALA A 16 -4.403 -11.865 0.263 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.682 -10.134 -1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.735 -11.420 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.389 -12.478 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.682 -12.097 -0.710 1.00 0.00 H new ATOM 250 N GLY A 17 -6.442 -9.213 0.647 1.00 0.00 N ATOM 251 CA GLY A 17 -7.197 -8.092 1.139 1.00 0.00 C ATOM 252 C GLY A 17 -6.435 -6.781 1.005 1.00 0.00 C ATOM 253 O GLY A 17 -7.004 -5.778 0.579 1.00 0.00 O ATOM 0 H GLY A 17 -6.095 -9.848 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.137 -8.021 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.449 -8.258 2.186 1.00 0.00 H new ATOM 257 N PHE A 18 -5.146 -6.776 1.345 1.00 0.00 N ATOM 258 CA PHE A 18 -4.377 -5.537 1.301 1.00 0.00 C ATOM 259 C PHE A 18 -3.617 -5.386 -0.005 1.00 0.00 C ATOM 260 O PHE A 18 -3.638 -4.315 -0.603 1.00 0.00 O ATOM 261 CB PHE A 18 -3.395 -5.415 2.450 1.00 0.00 C ATOM 262 CG PHE A 18 -2.971 -3.984 2.683 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.508 -2.955 1.911 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.057 -3.661 3.670 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.137 -1.645 2.118 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.681 -2.345 3.879 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.223 -1.339 3.099 1.00 0.00 C ATOM 0 H PHE A 18 -4.623 -7.598 1.647 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.116 -4.740 1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.849 -5.811 3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.516 -6.024 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.226 -3.189 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.633 -4.442 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.563 -0.860 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.965 -2.104 4.651 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.928 -0.313 3.261 1.00 0.00 H new ATOM 277 N VAL A 19 -2.925 -6.427 -0.459 1.00 0.00 N ATOM 278 CA VAL A 19 -2.237 -6.323 -1.732 1.00 0.00 C ATOM 279 C VAL A 19 -3.278 -6.012 -2.758 1.00 0.00 C ATOM 280 O VAL A 19 -3.046 -5.239 -3.643 1.00 0.00 O ATOM 281 CB VAL A 19 -1.551 -7.605 -2.214 1.00 0.00 C ATOM 282 CG1 VAL A 19 -0.307 -7.311 -3.028 1.00 0.00 C ATOM 283 CG2 VAL A 19 -1.279 -8.492 -1.079 1.00 0.00 C ATOM 0 H VAL A 19 -2.829 -7.322 0.020 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.460 -5.570 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.233 -8.125 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.147 -8.248 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.576 -6.719 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.404 -6.754 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.791 -9.399 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.627 -7.984 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.217 -8.753 -0.588 1.00 0.00 H new ATOM 293 N GLY A 20 -4.452 -6.615 -2.565 1.00 0.00 N ATOM 294 CA GLY A 20 -5.593 -6.380 -3.418 1.00 0.00 C ATOM 295 C GLY A 20 -6.087 -4.985 -3.253 1.00 0.00 C ATOM 296 O GLY A 20 -6.570 -4.392 -4.190 1.00 0.00 O ATOM 0 H GLY A 20 -4.627 -7.278 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.319 -6.555 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.388 -7.085 -3.175 1.00 0.00 H new ATOM 300 N LEU A 21 -5.891 -4.439 -2.075 1.00 0.00 N ATOM 301 CA LEU A 21 -6.358 -3.094 -1.791 1.00 0.00 C ATOM 302 C LEU A 21 -5.631 -2.063 -2.663 1.00 0.00 C ATOM 303 O LEU A 21 -6.268 -1.211 -3.273 1.00 0.00 O ATOM 304 CB LEU A 21 -6.201 -2.782 -0.306 1.00 0.00 C ATOM 305 CG LEU A 21 -6.897 -1.510 0.165 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.329 -1.655 1.613 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.974 -0.315 0.010 1.00 0.00 C ATOM 0 H LEU A 21 -5.415 -4.899 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.418 -3.035 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.588 -3.623 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.138 -2.702 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.782 -1.348 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.825 -0.740 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.019 -2.494 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.454 -1.835 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.485 0.586 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.075 -0.470 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.698 -0.202 -1.038 1.00 0.00 H new ATOM 319 N LEU A 22 -4.301 -2.136 -2.746 1.00 0.00 N ATOM 320 CA LEU A 22 -3.571 -1.232 -3.628 1.00 0.00 C ATOM 321 C LEU A 22 -3.446 -1.793 -5.043 1.00 0.00 C ATOM 322 O LEU A 22 -3.199 -1.060 -6.009 1.00 0.00 O ATOM 323 CB LEU A 22 -2.205 -0.800 -3.090 1.00 0.00 C ATOM 324 CG LEU A 22 -1.269 -1.820 -2.423 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.641 -2.070 -0.971 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.178 -3.117 -3.183 1.00 0.00 C ATOM 0 H LEU A 22 -3.722 -2.795 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.179 -0.328 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.657 -0.358 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.382 -0.005 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.277 -1.368 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.953 -2.797 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.578 -1.136 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.659 -2.457 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.503 -3.797 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.167 -3.569 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.798 -2.925 -4.186 1.00 0.00 H new ATOM 338 N ARG A 23 -3.566 -3.105 -5.135 1.00 0.00 N ATOM 339 CA ARG A 23 -3.721 -3.812 -6.408 1.00 0.00 C ATOM 340 C ARG A 23 -4.851 -3.152 -7.163 1.00 0.00 C ATOM 341 O ARG A 23 -4.830 -2.976 -8.378 1.00 0.00 O ATOM 342 CB ARG A 23 -4.131 -5.244 -6.096 1.00 0.00 C ATOM 343 CG ARG A 23 -3.361 -6.342 -6.789 1.00 0.00 C ATOM 344 CD ARG A 23 -1.964 -6.373 -6.267 1.00 0.00 C ATOM 345 NE ARG A 23 -0.987 -6.691 -7.308 1.00 0.00 N ATOM 346 CZ ARG A 23 -0.110 -7.693 -7.226 1.00 0.00 C ATOM 347 NH1 ARG A 23 -0.113 -8.505 -6.177 1.00 0.00 N ATOM 348 NH2 ARG A 23 0.757 -7.907 -8.206 1.00 0.00 N ATOM 0 H ARG A 23 -3.559 -3.723 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.799 -3.790 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.043 -5.395 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.185 -5.358 -6.349 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.846 -7.304 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.355 -6.173 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.721 -5.405 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.894 -7.112 -5.469 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.975 -6.112 -8.147 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.789 -8.365 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.561 -9.269 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.756 -7.304 -9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.425 -8.675 -8.137 1.00 0.00 H new ATOM 362 N ARG A 24 -5.828 -2.791 -6.365 1.00 0.00 N ATOM 363 CA ARG A 24 -7.039 -2.147 -6.794 1.00 0.00 C ATOM 364 C ARG A 24 -6.792 -0.706 -7.187 1.00 0.00 C ATOM 365 O ARG A 24 -7.422 -0.185 -8.106 1.00 0.00 O ATOM 366 CB ARG A 24 -8.029 -2.207 -5.643 1.00 0.00 C ATOM 367 CG ARG A 24 -8.777 -3.521 -5.574 1.00 0.00 C ATOM 368 CD ARG A 24 -9.535 -3.696 -6.864 1.00 0.00 C ATOM 369 NE ARG A 24 -10.222 -2.446 -7.212 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.537 -2.069 -8.448 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.354 -2.894 -9.472 1.00 0.00 N ATOM 372 NH2 ARG A 24 -11.041 -0.857 -8.655 1.00 0.00 N ATOM 0 H ARG A 24 -5.796 -2.946 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.430 -2.659 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.497 -2.048 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.746 -1.392 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.082 -4.347 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.462 -3.525 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.850 -3.980 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.260 -4.504 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.477 -1.820 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.969 -3.825 -9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.598 -2.597 -10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.184 -0.223 -7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.285 -0.561 -9.600 1.00 0.00 H new ATOM 386 N LEU A 25 -5.852 -0.084 -6.501 1.00 0.00 N ATOM 387 CA LEU A 25 -5.600 1.331 -6.652 1.00 0.00 C ATOM 388 C LEU A 25 -5.047 1.660 -8.031 1.00 0.00 C ATOM 389 O LEU A 25 -5.508 2.604 -8.680 1.00 0.00 O ATOM 390 CB LEU A 25 -4.619 1.768 -5.575 1.00 0.00 C ATOM 391 CG LEU A 25 -3.973 3.124 -5.790 1.00 0.00 C ATOM 392 CD1 LEU A 25 -4.897 4.236 -5.319 1.00 0.00 C ATOM 393 CD2 LEU A 25 -2.638 3.164 -5.079 1.00 0.00 C ATOM 0 H LEU A 25 -5.244 -0.547 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.542 1.868 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.140 1.781 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.832 1.018 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.798 3.281 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.417 5.201 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.830 4.196 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.107 4.109 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.173 4.138 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.789 2.998 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.989 2.385 -5.479 1.00 0.00 H new ATOM 405 N ASN A 26 -4.085 0.851 -8.482 1.00 0.00 N ATOM 406 CA ASN A 26 -3.312 1.150 -9.685 1.00 0.00 C ATOM 407 C ASN A 26 -2.068 0.267 -9.747 1.00 0.00 C ATOM 408 O ASN A 26 -1.428 0.162 -10.790 1.00 0.00 O ATOM 409 CB ASN A 26 -2.876 2.625 -9.677 1.00 0.00 C ATOM 410 CG ASN A 26 -2.529 3.190 -11.046 1.00 0.00 C ATOM 411 OD1 ASN A 26 -2.060 2.492 -11.942 1.00 0.00 O ATOM 412 ND2 ASN A 26 -2.766 4.481 -11.209 1.00 0.00 N ATOM 0 H ASN A 26 -3.823 -0.023 -8.026 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.940 0.956 -10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.676 3.224 -9.243 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.009 2.731 -9.025 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.559 4.929 -12.102 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.156 5.029 -10.442 1.00 0.00 H new ATOM 419 N VAL A 27 -1.766 -0.400 -8.628 1.00 0.00 N ATOM 420 CA VAL A 27 -0.500 -1.116 -8.424 1.00 0.00 C ATOM 421 C VAL A 27 0.686 -0.415 -9.128 1.00 0.00 C ATOM 422 O VAL A 27 1.325 -0.943 -10.039 1.00 0.00 O ATOM 423 CB VAL A 27 -0.630 -2.619 -8.825 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.941 -2.798 -10.303 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.609 -3.410 -8.440 1.00 0.00 C ATOM 0 H VAL A 27 -2.399 -0.459 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.276 -1.088 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.476 -3.015 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.022 -3.861 -10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.883 -2.304 -10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.141 -2.358 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.482 -4.452 -8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.479 -2.993 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.756 -3.354 -7.361 1.00 0.00 H new ATOM 435 N PRO A 28 0.971 0.820 -8.683 1.00 0.00 N ATOM 436 CA PRO A 28 2.018 1.683 -9.237 1.00 0.00 C ATOM 437 C PRO A 28 3.267 1.754 -8.363 1.00 0.00 C ATOM 438 O PRO A 28 3.885 2.809 -8.236 1.00 0.00 O ATOM 439 CB PRO A 28 1.307 3.017 -9.160 1.00 0.00 C ATOM 440 CG PRO A 28 0.680 2.959 -7.805 1.00 0.00 C ATOM 441 CD PRO A 28 0.237 1.531 -7.621 1.00 0.00 C ATOM 0 HA PRO A 28 2.374 1.353 -10.213 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.999 3.854 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.563 3.129 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.391 3.251 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.166 3.643 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.492 1.153 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.842 1.425 -7.735 1.00 0.00 H new ATOM 449 N HIS A 29 3.639 0.649 -7.761 1.00 0.00 N ATOM 450 CA HIS A 29 4.616 0.683 -6.682 1.00 0.00 C ATOM 451 C HIS A 29 5.703 -0.356 -6.855 1.00 0.00 C ATOM 452 O HIS A 29 5.722 -1.107 -7.826 1.00 0.00 O ATOM 453 CB HIS A 29 3.908 0.450 -5.348 1.00 0.00 C ATOM 454 CG HIS A 29 2.996 -0.742 -5.351 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.622 -0.637 -5.362 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.270 -2.068 -5.342 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.092 -1.846 -5.362 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.070 -2.730 -5.348 1.00 0.00 N ATOM 0 H HIS A 29 3.288 -0.280 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 29 5.090 1.664 -6.702 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.657 0.322 -4.566 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.330 1.338 -5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.251 -2.520 -5.332 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.036 -2.073 -5.372 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.953 -3.743 -5.343 1.00 0.00 H new ATOM 467 N ARG A 30 6.609 -0.385 -5.896 1.00 0.00 N ATOM 468 CA ARG A 30 7.615 -1.425 -5.837 1.00 0.00 C ATOM 469 C ARG A 30 7.189 -2.514 -4.860 1.00 0.00 C ATOM 470 O ARG A 30 6.707 -2.215 -3.773 1.00 0.00 O ATOM 471 CB ARG A 30 8.962 -0.852 -5.408 1.00 0.00 C ATOM 472 CG ARG A 30 9.975 -1.943 -5.128 1.00 0.00 C ATOM 473 CD ARG A 30 11.294 -1.421 -4.584 1.00 0.00 C ATOM 474 NE ARG A 30 12.285 -2.498 -4.522 1.00 0.00 N ATOM 475 CZ ARG A 30 13.429 -2.453 -3.843 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.769 -1.374 -3.154 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.245 -3.498 -3.865 1.00 0.00 N ATOM 0 H ARG A 30 6.668 0.303 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 30 7.718 -1.854 -6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.343 -0.195 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.829 -0.242 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.550 -2.648 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.164 -2.497 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.663 -0.615 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.143 -1.000 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 30 12.082 -3.352 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.151 -0.563 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.649 -1.354 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.994 -4.330 -4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.123 -3.470 -3.347 1.00 0.00 H new ATOM 491 N VAL A 31 7.332 -3.764 -5.277 1.00 0.00 N ATOM 492 CA VAL A 31 7.112 -4.913 -4.412 1.00 0.00 C ATOM 493 C VAL A 31 8.417 -5.659 -4.179 1.00 0.00 C ATOM 494 O VAL A 31 9.115 -6.025 -5.127 1.00 0.00 O ATOM 495 CB VAL A 31 6.094 -5.898 -5.018 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.925 -7.125 -4.123 1.00 0.00 C ATOM 497 CG2 VAL A 31 4.767 -5.208 -5.256 1.00 0.00 C ATOM 0 H VAL A 31 7.605 -4.010 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 31 6.719 -4.529 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 31 6.476 -6.240 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.202 -7.806 -4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.884 -7.633 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.569 -6.813 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.059 -5.918 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.377 -4.833 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.908 -4.376 -5.946 1.00 0.00 H new ATOM 507 N SER A 32 8.738 -5.872 -2.922 1.00 0.00 N ATOM 508 CA SER A 32 9.906 -6.644 -2.542 1.00 0.00 C ATOM 509 C SER A 32 9.512 -7.633 -1.453 1.00 0.00 C ATOM 510 O SER A 32 8.326 -7.866 -1.225 1.00 0.00 O ATOM 511 CB SER A 32 11.010 -5.706 -2.040 1.00 0.00 C ATOM 512 OG SER A 32 10.639 -5.074 -0.824 1.00 0.00 O ATOM 0 H SER A 32 8.199 -5.516 -2.133 1.00 0.00 H new ATOM 0 HA SER A 32 10.286 -7.191 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.930 -6.271 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.219 -4.949 -2.796 1.00 0.00 H new ATOM 0 HG SER A 32 11.153 -4.247 -0.715 1.00 0.00 H new ATOM 518 N GLU A 33 10.495 -8.224 -0.804 1.00 0.00 N ATOM 519 CA GLU A 33 10.249 -9.066 0.350 1.00 0.00 C ATOM 520 C GLU A 33 11.260 -8.737 1.435 1.00 0.00 C ATOM 521 O GLU A 33 12.405 -9.187 1.401 1.00 0.00 O ATOM 522 CB GLU A 33 10.298 -10.547 -0.031 1.00 0.00 C ATOM 523 CG GLU A 33 11.291 -10.859 -1.135 1.00 0.00 C ATOM 524 CD GLU A 33 11.303 -12.321 -1.510 1.00 0.00 C ATOM 525 OE1 GLU A 33 10.221 -12.884 -1.766 1.00 0.00 O ATOM 526 OE2 GLU A 33 12.398 -12.911 -1.564 1.00 0.00 O ATOM 0 H GLU A 33 11.479 -8.136 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 33 9.247 -8.869 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.554 -11.132 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.305 -10.865 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.048 -10.264 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.290 -10.562 -0.815 1.00 0.00 H new ATOM 533 N GLU A 34 10.827 -7.925 2.382 1.00 0.00 N ATOM 534 CA GLU A 34 11.714 -7.417 3.412 1.00 0.00 C ATOM 535 C GLU A 34 11.581 -8.215 4.697 1.00 0.00 C ATOM 536 O GLU A 34 10.585 -8.085 5.414 1.00 0.00 O ATOM 537 CB GLU A 34 11.425 -5.942 3.690 1.00 0.00 C ATOM 538 CG GLU A 34 11.668 -5.040 2.495 1.00 0.00 C ATOM 539 CD GLU A 34 13.076 -5.152 1.960 1.00 0.00 C ATOM 540 OE1 GLU A 34 14.020 -4.741 2.666 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.246 -5.654 0.830 1.00 0.00 O ATOM 0 H GLU A 34 9.862 -7.602 2.459 1.00 0.00 H new ATOM 0 HA GLU A 34 12.735 -7.520 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.388 -5.837 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.049 -5.608 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.962 -5.292 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.472 -4.006 2.779 1.00 0.00 H new ATOM 548 N SER A 35 12.576 -9.060 4.949 1.00 0.00 N ATOM 549 CA SER A 35 12.706 -9.815 6.198 1.00 0.00 C ATOM 550 C SER A 35 11.658 -10.928 6.323 1.00 0.00 C ATOM 551 O SER A 35 11.990 -12.056 6.692 1.00 0.00 O ATOM 552 CB SER A 35 12.638 -8.871 7.408 1.00 0.00 C ATOM 553 OG SER A 35 13.003 -9.535 8.606 1.00 0.00 O ATOM 0 H SER A 35 13.327 -9.245 4.284 1.00 0.00 H new ATOM 0 HA SER A 35 13.683 -10.299 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.301 -8.021 7.245 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.628 -8.473 7.504 1.00 0.00 H new ATOM 0 HG SER A 35 12.951 -8.907 9.357 1.00 0.00 H new ATOM 559 N GLY A 36 10.409 -10.626 6.000 1.00 0.00 N ATOM 560 CA GLY A 36 9.342 -11.592 6.191 1.00 0.00 C ATOM 561 C GLY A 36 7.983 -11.083 5.750 1.00 0.00 C ATOM 562 O GLY A 36 6.969 -11.738 5.976 1.00 0.00 O ATOM 0 H GLY A 36 10.114 -9.731 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.580 -12.499 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.295 -11.866 7.245 1.00 0.00 H new ATOM 566 N GLN A 37 7.947 -9.903 5.144 1.00 0.00 N ATOM 567 CA GLN A 37 6.741 -9.401 4.528 1.00 0.00 C ATOM 568 C GLN A 37 7.088 -8.944 3.138 1.00 0.00 C ATOM 569 O GLN A 37 8.193 -8.464 2.909 1.00 0.00 O ATOM 570 CB GLN A 37 6.142 -8.229 5.323 1.00 0.00 C ATOM 571 CG GLN A 37 5.800 -8.574 6.761 1.00 0.00 C ATOM 572 CD GLN A 37 4.703 -7.694 7.314 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.959 -6.665 7.942 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.470 -8.085 7.048 1.00 0.00 N ATOM 0 H GLN A 37 8.749 -9.277 5.070 1.00 0.00 H new ATOM 0 HA GLN A 37 5.994 -10.195 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.849 -7.399 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.240 -7.883 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.490 -9.617 6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.692 -8.472 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.310 -8.945 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.678 -7.527 7.366 1.00 0.00 H new ATOM 583 N GLN A 38 6.186 -9.136 2.198 1.00 0.00 N ATOM 584 CA GLN A 38 6.344 -8.516 0.917 1.00 0.00 C ATOM 585 C GLN A 38 6.151 -7.059 1.138 1.00 0.00 C ATOM 586 O GLN A 38 5.254 -6.672 1.864 1.00 0.00 O ATOM 587 CB GLN A 38 5.307 -9.005 -0.071 1.00 0.00 C ATOM 588 CG GLN A 38 5.333 -10.486 -0.366 1.00 0.00 C ATOM 589 CD GLN A 38 4.041 -10.909 -1.025 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.021 -11.773 -1.901 1.00 0.00 O ATOM 591 NE2 GLN A 38 2.939 -10.342 -0.549 1.00 0.00 N ATOM 0 H GLN A 38 5.349 -9.710 2.302 1.00 0.00 H new ATOM 0 HA GLN A 38 7.324 -8.753 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.319 -8.746 0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.440 -8.464 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.175 -10.720 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.479 -11.046 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.005 -9.629 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.026 -10.619 -0.910 1.00 0.00 H new ATOM 600 N VAL A 39 6.984 -6.250 0.558 1.00 0.00 N ATOM 601 CA VAL A 39 7.015 -4.882 0.948 1.00 0.00 C ATOM 602 C VAL A 39 6.930 -3.953 -0.228 1.00 0.00 C ATOM 603 O VAL A 39 7.574 -4.127 -1.248 1.00 0.00 O ATOM 604 CB VAL A 39 8.236 -4.630 1.827 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.356 -3.185 2.206 1.00 0.00 C ATOM 606 CG2 VAL A 39 8.065 -5.479 3.044 1.00 0.00 C ATOM 0 H VAL A 39 7.641 -6.512 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 39 6.126 -4.664 1.540 1.00 0.00 H new ATOM 0 HB VAL A 39 9.150 -4.882 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.237 -3.045 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.451 -2.579 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.467 -2.878 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.916 -5.336 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.148 -5.194 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.006 -6.527 2.751 1.00 0.00 H new ATOM 616 N LEU A 40 6.092 -2.978 -0.048 1.00 0.00 N ATOM 617 CA LEU A 40 5.703 -2.065 -1.071 1.00 0.00 C ATOM 618 C LEU A 40 6.299 -0.711 -0.774 1.00 0.00 C ATOM 619 O LEU A 40 6.194 -0.193 0.342 1.00 0.00 O ATOM 620 CB LEU A 40 4.189 -2.047 -1.080 1.00 0.00 C ATOM 621 CG LEU A 40 3.490 -1.122 -2.090 1.00 0.00 C ATOM 622 CD1 LEU A 40 1.997 -1.370 -2.063 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.767 0.350 -1.823 1.00 0.00 C ATOM 0 H LEU A 40 5.646 -2.792 0.850 1.00 0.00 H new ATOM 0 HA LEU A 40 6.063 -2.357 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.843 -3.064 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.851 -1.769 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 40 3.895 -1.356 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.506 -0.712 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.796 -2.408 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.613 -1.168 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.250 0.958 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.411 0.612 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.839 0.536 -1.886 1.00 0.00 H new ATOM 635 N TRP A 41 6.939 -0.144 -1.766 1.00 0.00 N ATOM 636 CA TRP A 41 7.617 1.109 -1.578 1.00 0.00 C ATOM 637 C TRP A 41 7.166 2.084 -2.651 1.00 0.00 C ATOM 638 O TRP A 41 7.552 1.923 -3.809 1.00 0.00 O ATOM 639 CB TRP A 41 9.151 0.949 -1.723 1.00 0.00 C ATOM 640 CG TRP A 41 9.751 -0.261 -1.068 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.200 -1.492 -1.005 1.00 0.00 C ATOM 642 CD2 TRP A 41 11.033 -0.370 -0.440 1.00 0.00 C ATOM 643 NE1 TRP A 41 10.006 -2.350 -0.331 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.148 -1.693 0.022 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.085 0.517 -0.203 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.265 -2.145 0.701 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.202 0.061 0.470 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.283 -1.261 0.918 1.00 0.00 C ATOM 0 H TRP A 41 7.003 -0.530 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 41 7.379 1.467 -0.576 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.395 0.921 -2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.630 1.837 -1.309 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.245 -1.758 -1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.793 -3.326 -0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.027 1.541 -0.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.330 -3.165 1.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 14.025 0.736 0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 41 14.167 -1.589 1.445 1.00 0.00 H new ATOM 659 N VAL A 42 6.324 3.055 -2.322 1.00 0.00 N ATOM 660 CA VAL A 42 6.041 4.089 -3.316 1.00 0.00 C ATOM 661 C VAL A 42 5.619 5.493 -2.766 1.00 0.00 C ATOM 662 O VAL A 42 4.930 6.236 -3.469 1.00 0.00 O ATOM 663 CB VAL A 42 4.992 3.557 -4.320 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.574 3.632 -3.772 1.00 0.00 C ATOM 665 CG2 VAL A 42 5.108 4.256 -5.662 1.00 0.00 C ATOM 0 H VAL A 42 5.846 3.152 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 42 6.998 4.285 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 42 5.211 2.500 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.876 3.247 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.503 3.034 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.326 4.669 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.357 3.859 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.949 5.326 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.102 4.085 -6.076 1.00 0.00 H new ATOM 675 N PRO A 43 6.014 5.926 -1.540 1.00 0.00 N ATOM 676 CA PRO A 43 5.718 7.277 -1.074 1.00 0.00 C ATOM 677 C PRO A 43 6.916 8.227 -1.155 1.00 0.00 C ATOM 678 O PRO A 43 7.724 8.165 -2.083 1.00 0.00 O ATOM 679 CB PRO A 43 5.426 6.971 0.373 1.00 0.00 C ATOM 680 CG PRO A 43 6.561 6.095 0.727 1.00 0.00 C ATOM 681 CD PRO A 43 6.692 5.181 -0.457 1.00 0.00 C ATOM 0 HA PRO A 43 4.940 7.776 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.398 7.873 0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.466 6.470 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.473 6.669 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.365 5.537 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.736 4.983 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.218 4.216 -0.275 1.00 0.00 H new ATOM 689 N ASP A 44 7.008 9.096 -0.152 1.00 0.00 N ATOM 690 CA ASP A 44 8.155 9.979 0.038 1.00 0.00 C ATOM 691 C ASP A 44 8.674 9.827 1.461 1.00 0.00 C ATOM 692 O ASP A 44 9.575 9.041 1.729 1.00 0.00 O ATOM 693 CB ASP A 44 7.784 11.448 -0.202 1.00 0.00 C ATOM 694 CG ASP A 44 7.634 11.801 -1.663 1.00 0.00 C ATOM 695 OD1 ASP A 44 8.645 12.179 -2.293 1.00 0.00 O ATOM 696 OD2 ASP A 44 6.504 11.730 -2.180 1.00 0.00 O ATOM 0 H ASP A 44 6.283 9.208 0.557 1.00 0.00 H new ATOM 0 HA ASP A 44 8.921 9.697 -0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.849 11.667 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.550 12.085 0.241 1.00 0.00 H new ATOM 701 N GLU A 45 8.072 10.574 2.374 1.00 0.00 N ATOM 702 CA GLU A 45 8.403 10.477 3.787 1.00 0.00 C ATOM 703 C GLU A 45 7.166 10.786 4.627 1.00 0.00 C ATOM 704 O GLU A 45 6.658 9.919 5.331 1.00 0.00 O ATOM 705 CB GLU A 45 9.580 11.410 4.109 1.00 0.00 C ATOM 706 CG GLU A 45 9.967 11.466 5.579 1.00 0.00 C ATOM 707 CD GLU A 45 9.270 12.587 6.322 1.00 0.00 C ATOM 708 OE1 GLU A 45 9.471 13.761 5.947 1.00 0.00 O ATOM 709 OE2 GLU A 45 8.517 12.299 7.273 1.00 0.00 O ATOM 0 H GLU A 45 7.347 11.258 2.159 1.00 0.00 H new ATOM 0 HA GLU A 45 8.717 9.462 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.447 11.090 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.329 12.417 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.723 10.515 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.046 11.596 5.662 1.00 0.00 H new ATOM 716 N ARG A 46 6.656 12.010 4.523 1.00 0.00 N ATOM 717 CA ARG A 46 5.393 12.364 5.167 1.00 0.00 C ATOM 718 C ARG A 46 4.269 11.627 4.459 1.00 0.00 C ATOM 719 O ARG A 46 3.246 11.272 5.047 1.00 0.00 O ATOM 720 CB ARG A 46 5.156 13.886 5.099 1.00 0.00 C ATOM 721 CG ARG A 46 4.791 14.406 3.706 1.00 0.00 C ATOM 722 CD ARG A 46 3.280 14.448 3.490 1.00 0.00 C ATOM 723 NE ARG A 46 2.925 14.586 2.077 1.00 0.00 N ATOM 724 CZ ARG A 46 1.676 14.750 1.630 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.669 14.865 2.488 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.435 14.819 0.325 1.00 0.00 N ATOM 0 H ARG A 46 7.094 12.770 4.002 1.00 0.00 H new ATOM 0 HA ARG A 46 5.425 12.077 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.357 14.149 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.056 14.398 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.204 15.406 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.248 13.768 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.833 13.537 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.858 15.281 4.052 1.00 0.00 H new ATOM 0 HE ARG A 46 3.678 14.555 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.847 14.828 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.283 14.990 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.205 14.747 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.480 14.944 -0.011 1.00 0.00 H new ATOM 740 N LEU A 47 4.508 11.385 3.179 1.00 0.00 N ATOM 741 CA LEU A 47 3.531 10.783 2.300 1.00 0.00 C ATOM 742 C LEU A 47 3.394 9.307 2.627 1.00 0.00 C ATOM 743 O LEU A 47 2.320 8.746 2.528 1.00 0.00 O ATOM 744 CB LEU A 47 3.965 10.985 0.842 1.00 0.00 C ATOM 745 CG LEU A 47 2.842 10.922 -0.192 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.326 11.444 -1.534 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.344 9.501 -0.329 1.00 0.00 C ATOM 0 H LEU A 47 5.394 11.604 2.723 1.00 0.00 H new ATOM 0 HA LEU A 47 2.560 11.257 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.458 11.953 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.707 10.227 0.594 1.00 0.00 H new ATOM 0 HG LEU A 47 2.019 11.552 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.514 11.392 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.651 12.479 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.161 10.836 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.544 9.466 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.163 8.858 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.966 9.154 0.632 1.00 0.00 H new ATOM 759 N ALA A 48 4.496 8.715 3.057 1.00 0.00 N ATOM 760 CA ALA A 48 4.562 7.302 3.417 1.00 0.00 C ATOM 761 C ALA A 48 3.341 6.855 4.215 1.00 0.00 C ATOM 762 O ALA A 48 2.655 5.877 3.867 1.00 0.00 O ATOM 763 CB ALA A 48 5.829 7.092 4.227 1.00 0.00 C ATOM 0 H ALA A 48 5.383 9.206 3.168 1.00 0.00 H new ATOM 0 HA ALA A 48 4.574 6.700 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.909 6.043 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.695 7.371 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.794 7.711 5.124 1.00 0.00 H new ATOM 769 N GLU A 49 3.029 7.623 5.232 1.00 0.00 N ATOM 770 CA GLU A 49 1.961 7.268 6.139 1.00 0.00 C ATOM 771 C GLU A 49 0.648 7.317 5.403 1.00 0.00 C ATOM 772 O GLU A 49 -0.128 6.368 5.411 1.00 0.00 O ATOM 773 CB GLU A 49 1.916 8.223 7.325 1.00 0.00 C ATOM 774 CG GLU A 49 3.222 8.320 8.082 1.00 0.00 C ATOM 775 CD GLU A 49 3.096 9.151 9.337 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.018 10.393 9.225 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.068 8.567 10.440 1.00 0.00 O ATOM 0 H GLU A 49 3.500 8.500 5.453 1.00 0.00 H new ATOM 0 HA GLU A 49 2.142 6.261 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.638 9.215 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.133 7.899 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.563 7.318 8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.983 8.756 7.435 1.00 0.00 H new ATOM 784 N GLN A 50 0.455 8.403 4.685 1.00 0.00 N ATOM 785 CA GLN A 50 -0.793 8.652 4.020 1.00 0.00 C ATOM 786 C GLN A 50 -0.922 7.745 2.801 1.00 0.00 C ATOM 787 O GLN A 50 -2.004 7.582 2.245 1.00 0.00 O ATOM 788 CB GLN A 50 -0.893 10.143 3.648 1.00 0.00 C ATOM 789 CG GLN A 50 -0.308 10.509 2.296 1.00 0.00 C ATOM 790 CD GLN A 50 -1.302 10.293 1.175 1.00 0.00 C ATOM 791 OE1 GLN A 50 -0.933 10.018 0.033 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.573 10.400 1.516 1.00 0.00 N ATOM 0 H GLN A 50 1.158 9.130 4.550 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.624 8.421 4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.943 10.436 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.387 10.728 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.006 11.553 2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.583 9.909 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.826 10.630 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.302 10.252 0.818 1.00 0.00 H new ATOM 801 N VAL A 51 0.170 7.095 2.432 1.00 0.00 N ATOM 802 CA VAL A 51 0.196 6.341 1.204 1.00 0.00 C ATOM 803 C VAL A 51 -0.489 5.026 1.458 1.00 0.00 C ATOM 804 O VAL A 51 -1.406 4.655 0.758 1.00 0.00 O ATOM 805 CB VAL A 51 1.634 6.149 0.629 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.304 4.862 1.089 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.616 6.216 -0.888 1.00 0.00 C ATOM 0 H VAL A 51 1.040 7.078 2.965 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.333 6.901 0.433 1.00 0.00 H new ATOM 0 HB VAL A 51 2.231 6.970 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.300 4.794 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.385 4.862 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.708 4.007 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.628 6.080 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.971 5.429 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.236 7.187 -1.205 1.00 0.00 H new ATOM 817 N ARG A 52 -0.113 4.357 2.526 1.00 0.00 N ATOM 818 CA ARG A 52 -0.794 3.112 2.845 1.00 0.00 C ATOM 819 C ARG A 52 -2.140 3.429 3.465 1.00 0.00 C ATOM 820 O ARG A 52 -3.164 2.863 3.083 1.00 0.00 O ATOM 821 CB ARG A 52 0.011 2.252 3.810 1.00 0.00 C ATOM 822 CG ARG A 52 1.494 2.577 3.887 1.00 0.00 C ATOM 823 CD ARG A 52 2.032 2.214 5.258 1.00 0.00 C ATOM 824 NE ARG A 52 1.769 3.251 6.255 1.00 0.00 N ATOM 825 CZ ARG A 52 2.641 3.612 7.194 1.00 0.00 C ATOM 826 NH1 ARG A 52 3.838 3.036 7.247 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.311 4.538 8.084 1.00 0.00 N ATOM 0 H ARG A 52 0.629 4.635 3.168 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.916 2.550 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.419 2.354 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.101 1.207 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.036 2.028 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.653 3.638 3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.581 1.277 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.107 2.044 5.190 1.00 0.00 H new ATOM 0 HE ARG A 52 0.866 3.725 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.089 2.317 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.506 3.313 7.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.389 4.973 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.979 4.815 8.804 1.00 0.00 H new ATOM 841 N GLU A 53 -2.132 4.384 4.382 1.00 0.00 N ATOM 842 CA GLU A 53 -3.290 4.656 5.212 1.00 0.00 C ATOM 843 C GLU A 53 -4.415 5.317 4.449 1.00 0.00 C ATOM 844 O GLU A 53 -5.571 5.093 4.773 1.00 0.00 O ATOM 845 CB GLU A 53 -2.889 5.509 6.405 1.00 0.00 C ATOM 846 CG GLU A 53 -1.834 4.840 7.257 1.00 0.00 C ATOM 847 CD GLU A 53 -1.254 5.750 8.321 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.031 6.440 9.016 1.00 0.00 O ATOM 849 OE2 GLU A 53 -0.012 5.789 8.459 1.00 0.00 O ATOM 0 H GLU A 53 -1.330 4.986 4.569 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.667 3.694 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.513 6.470 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.769 5.715 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.268 3.963 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.029 4.486 6.614 1.00 0.00 H new ATOM 856 N LEU A 54 -4.112 6.115 3.439 1.00 0.00 N ATOM 857 CA LEU A 54 -5.188 6.716 2.677 1.00 0.00 C ATOM 858 C LEU A 54 -5.545 5.881 1.485 1.00 0.00 C ATOM 859 O LEU A 54 -6.693 5.848 1.104 1.00 0.00 O ATOM 860 CB LEU A 54 -4.943 8.162 2.258 1.00 0.00 C ATOM 861 CG LEU A 54 -5.209 9.170 3.366 1.00 0.00 C ATOM 862 CD1 LEU A 54 -4.064 9.124 4.341 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.414 10.569 2.808 1.00 0.00 C ATOM 0 H LEU A 54 -3.167 6.354 3.137 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.031 6.746 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.910 8.265 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.579 8.397 1.404 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.133 8.908 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.239 9.842 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.985 8.122 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.137 9.375 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.602 11.263 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.520 10.879 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.267 10.569 2.130 1.00 0.00 H new ATOM 875 N TYR A 55 -4.598 5.174 0.904 1.00 0.00 N ATOM 876 CA TYR A 55 -4.944 4.306 -0.210 1.00 0.00 C ATOM 877 C TYR A 55 -6.026 3.331 0.220 1.00 0.00 C ATOM 878 O TYR A 55 -6.886 2.959 -0.565 1.00 0.00 O ATOM 879 CB TYR A 55 -3.730 3.550 -0.742 1.00 0.00 C ATOM 880 CG TYR A 55 -2.813 4.401 -1.600 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.159 5.701 -1.929 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.593 3.913 -2.060 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.328 6.495 -2.686 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.753 4.703 -2.825 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.129 5.996 -3.133 1.00 0.00 C ATOM 886 OH TYR A 55 -0.299 6.799 -3.882 1.00 0.00 O ATOM 0 H TYR A 55 -3.613 5.178 1.170 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.316 4.932 -1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.162 3.153 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.072 2.696 -1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.101 6.100 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.298 2.903 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.618 7.507 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.189 4.312 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 55 0.510 6.301 -4.121 1.00 0.00 H new ATOM 896 N ARG A 56 -6.001 2.962 1.492 1.00 0.00 N ATOM 897 CA ARG A 56 -6.991 2.036 2.027 1.00 0.00 C ATOM 898 C ARG A 56 -8.315 2.718 2.401 1.00 0.00 C ATOM 899 O ARG A 56 -9.258 2.042 2.801 1.00 0.00 O ATOM 900 CB ARG A 56 -6.425 1.277 3.225 1.00 0.00 C ATOM 901 CG ARG A 56 -5.781 2.166 4.231 1.00 0.00 C ATOM 902 CD ARG A 56 -5.190 1.388 5.399 1.00 0.00 C ATOM 903 NE ARG A 56 -6.122 0.402 5.945 1.00 0.00 N ATOM 904 CZ ARG A 56 -6.897 0.609 7.010 1.00 0.00 C ATOM 905 NH1 ARG A 56 -6.916 1.794 7.610 1.00 0.00 N ATOM 906 NH2 ARG A 56 -7.655 -0.373 7.473 1.00 0.00 N ATOM 0 H ARG A 56 -5.311 3.286 2.170 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.218 1.331 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.228 0.718 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.695 0.548 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.994 2.746 3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.516 2.878 4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.282 0.882 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.901 2.085 6.186 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.183 -0.504 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.335 2.554 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.512 1.944 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.645 -1.284 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.249 -0.218 8.288 1.00 0.00 H new ATOM 920 N ARG A 57 -8.408 4.045 2.272 1.00 0.00 N ATOM 921 CA ARG A 57 -9.616 4.746 2.706 1.00 0.00 C ATOM 922 C ARG A 57 -10.115 5.777 1.687 1.00 0.00 C ATOM 923 O ARG A 57 -11.312 5.890 1.461 1.00 0.00 O ATOM 924 CB ARG A 57 -9.380 5.426 4.059 1.00 0.00 C ATOM 925 CG ARG A 57 -8.079 6.204 4.125 1.00 0.00 C ATOM 926 CD ARG A 57 -7.993 7.088 5.358 1.00 0.00 C ATOM 927 NE ARG A 57 -7.929 6.312 6.595 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.350 6.758 7.776 1.00 0.00 C ATOM 929 NH1 ARG A 57 -8.830 7.990 7.893 1.00 0.00 N ATOM 930 NH2 ARG A 57 -8.262 5.980 8.846 1.00 0.00 N ATOM 0 H ARG A 57 -7.680 4.642 1.880 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.394 3.989 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.210 6.102 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.382 4.669 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.241 5.506 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.982 6.821 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.111 7.724 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.860 7.748 5.390 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.538 5.371 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.877 8.599 7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.152 8.328 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.872 5.041 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.584 6.320 9.752 1.00 0.00 H new ATOM 944 N TYR A 58 -9.209 6.538 1.091 1.00 0.00 N ATOM 945 CA TYR A 58 -9.603 7.625 0.199 1.00 0.00 C ATOM 946 C TYR A 58 -9.284 7.344 -1.276 1.00 0.00 C ATOM 947 O TYR A 58 -10.201 7.169 -2.050 1.00 0.00 O ATOM 948 CB TYR A 58 -9.006 8.947 0.682 1.00 0.00 C ATOM 949 CG TYR A 58 -9.788 9.533 1.829 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.825 8.869 3.028 1.00 0.00 C ATOM 951 CD2 TYR A 58 -10.512 10.712 1.708 1.00 0.00 C ATOM 952 CE1 TYR A 58 -10.542 9.340 4.093 1.00 0.00 C ATOM 953 CE2 TYR A 58 -11.238 11.208 2.778 1.00 0.00 C ATOM 954 CZ TYR A 58 -11.252 10.512 3.971 1.00 0.00 C ATOM 955 OH TYR A 58 -11.987 10.985 5.035 1.00 0.00 O ATOM 0 H TYR A 58 -8.202 6.426 1.206 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.689 7.703 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.973 8.787 0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.985 9.658 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.272 7.947 3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.509 11.247 0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.551 8.795 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.789 12.132 2.680 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.427 11.823 4.782 1.00 0.00 H new ATOM 965 N PRO A 59 -8.009 7.339 -1.710 1.00 0.00 N ATOM 966 CA PRO A 59 -7.631 6.974 -3.089 1.00 0.00 C ATOM 967 C PRO A 59 -8.304 5.713 -3.650 1.00 0.00 C ATOM 968 O PRO A 59 -8.654 5.687 -4.825 1.00 0.00 O ATOM 969 CB PRO A 59 -6.130 6.765 -2.954 1.00 0.00 C ATOM 970 CG PRO A 59 -5.734 7.795 -1.972 1.00 0.00 C ATOM 971 CD PRO A 59 -6.822 7.783 -0.949 1.00 0.00 C ATOM 0 HA PRO A 59 -7.946 7.740 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.893 5.761 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.617 6.898 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.767 7.564 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.642 8.775 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.594 7.102 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.972 8.770 -0.512 1.00 0.00 H new ATOM 979 N GLU A 60 -8.483 4.674 -2.837 1.00 0.00 N ATOM 980 CA GLU A 60 -9.142 3.465 -3.326 1.00 0.00 C ATOM 981 C GLU A 60 -10.537 3.385 -2.739 1.00 0.00 C ATOM 982 O GLU A 60 -11.454 2.830 -3.340 1.00 0.00 O ATOM 983 CB GLU A 60 -8.323 2.213 -3.013 1.00 0.00 C ATOM 984 CG GLU A 60 -8.887 0.941 -3.619 1.00 0.00 C ATOM 985 CD GLU A 60 -9.147 1.050 -5.115 1.00 0.00 C ATOM 986 OE1 GLU A 60 -8.490 1.876 -5.784 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.010 0.300 -5.624 1.00 0.00 O ATOM 0 H GLU A 60 -8.189 4.643 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.220 3.517 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.305 2.356 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.261 2.092 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.192 0.121 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.819 0.688 -3.113 1.00 0.00 H new ATOM 994 N GLY A 61 -10.685 3.991 -1.569 1.00 0.00 N ATOM 995 CA GLY A 61 -11.997 4.277 -1.005 1.00 0.00 C ATOM 996 C GLY A 61 -12.729 5.336 -1.812 1.00 0.00 C ATOM 997 O GLY A 61 -13.781 5.847 -1.426 1.00 0.00 O ATOM 0 H GLY A 61 -9.905 4.296 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.590 3.363 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.886 4.615 0.025 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.144 5.636 -2.944 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.651 6.610 -3.889 1.00 0.00 C ATOM 1003 C ASP A 62 -13.803 5.968 -4.657 1.00 0.00 C ATOM 1004 O ASP A 62 -14.091 4.790 -4.431 1.00 0.00 O ATOM 1005 CB ASP A 62 -11.484 6.983 -4.830 1.00 0.00 C ATOM 1006 CG ASP A 62 -11.667 8.269 -5.607 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -11.642 9.355 -4.991 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -11.813 8.199 -6.843 1.00 0.00 O ATOM 0 H ASP A 62 -11.274 5.198 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.022 7.512 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.572 7.062 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.335 6.168 -5.538 1.00 0.00 H new ATOM 1013 N PRO A 63 -14.516 6.705 -5.527 1.00 0.00 N ATOM 1014 CA PRO A 63 -15.369 6.104 -6.562 1.00 0.00 C ATOM 1015 C PRO A 63 -14.733 4.866 -7.229 1.00 0.00 C ATOM 1016 O PRO A 63 -15.417 4.088 -7.897 1.00 0.00 O ATOM 1017 CB PRO A 63 -15.504 7.242 -7.569 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.443 8.491 -6.751 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.646 8.172 -5.507 1.00 0.00 C ATOM 0 HA PRO A 63 -16.312 5.736 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.702 7.214 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.444 7.175 -8.117 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.972 9.297 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.446 8.829 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.671 8.658 -5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.158 8.514 -4.608 1.00 0.00 H new ATOM 1027 N GLN A 64 -13.420 4.712 -7.038 1.00 0.00 N ATOM 1028 CA GLN A 64 -12.674 3.539 -7.457 1.00 0.00 C ATOM 1029 C GLN A 64 -13.390 2.258 -7.061 1.00 0.00 C ATOM 1030 O GLN A 64 -13.899 1.528 -7.916 1.00 0.00 O ATOM 1031 CB GLN A 64 -11.299 3.546 -6.788 1.00 0.00 C ATOM 1032 CG GLN A 64 -10.205 4.256 -7.568 1.00 0.00 C ATOM 1033 CD GLN A 64 -9.710 3.437 -8.739 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -10.164 3.601 -9.870 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -8.802 2.515 -8.465 1.00 0.00 N ATOM 0 H GLN A 64 -12.842 5.416 -6.579 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.580 3.572 -8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.391 4.018 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.990 2.515 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.582 5.212 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.370 4.474 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.451 2.412 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.453 1.907 -9.206 1.00 0.00 H new ATOM 1044 N ALA A 65 -13.447 1.996 -5.758 1.00 0.00 N ATOM 1045 CA ALA A 65 -13.945 0.707 -5.281 1.00 0.00 C ATOM 1046 C ALA A 65 -14.148 0.671 -3.777 1.00 0.00 C ATOM 1047 O ALA A 65 -15.275 0.685 -3.278 1.00 0.00 O ATOM 1048 CB ALA A 65 -12.953 -0.378 -5.651 1.00 0.00 C ATOM 0 H ALA A 65 -13.161 2.645 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.914 0.547 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.319 -1.342 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.835 -0.409 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.990 -0.164 -5.188 1.00 0.00 H new ATOM 1054 N THR A 66 -13.026 0.600 -3.083 1.00 0.00 N ATOM 1055 CA THR A 66 -12.965 0.425 -1.648 1.00 0.00 C ATOM 1056 C THR A 66 -13.669 1.575 -0.901 1.00 0.00 C ATOM 1057 O THR A 66 -14.095 2.550 -1.517 1.00 0.00 O ATOM 1058 CB THR A 66 -11.459 0.290 -1.267 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.037 -1.066 -1.438 1.00 0.00 O ATOM 1060 CG2 THR A 66 -11.130 0.752 0.141 1.00 0.00 C ATOM 0 H THR A 66 -12.106 0.665 -3.518 1.00 0.00 H new ATOM 0 HA THR A 66 -13.503 -0.474 -1.345 1.00 0.00 H new ATOM 0 HB THR A 66 -10.917 0.955 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.090 -1.146 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.063 0.625 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.394 1.804 0.250 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.696 0.160 0.860 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.853 1.400 0.410 1.00 0.00 N ATOM 1069 CA LEU A 67 -14.323 2.442 1.308 1.00 0.00 C ATOM 1070 C LEU A 67 -14.537 1.851 2.687 1.00 0.00 C ATOM 1071 O LEU A 67 -13.617 1.751 3.491 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.611 3.091 0.822 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.796 4.521 1.313 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -16.558 4.569 2.633 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -14.434 5.183 1.467 1.00 0.00 C ATOM 0 H LEU A 67 -13.675 0.512 0.879 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.562 3.222 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.622 3.086 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -16.458 2.490 1.152 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.388 5.062 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.670 5.606 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.543 4.121 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.006 4.014 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.565 6.207 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -13.838 4.625 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.923 5.192 0.504 1.00 0.00 H new ATOM 1087 N GLU A 68 -15.758 1.418 2.926 1.00 0.00 N ATOM 1088 CA GLU A 68 -16.114 0.775 4.183 1.00 0.00 C ATOM 1089 C GLU A 68 -15.931 -0.728 4.057 1.00 0.00 C ATOM 1090 O GLU A 68 -16.187 -1.498 4.982 1.00 0.00 O ATOM 1091 CB GLU A 68 -17.555 1.122 4.558 1.00 0.00 C ATOM 1092 CG GLU A 68 -18.581 0.555 3.593 1.00 0.00 C ATOM 1093 CD GLU A 68 -19.951 1.168 3.772 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -20.229 2.195 3.117 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -20.757 0.628 4.557 1.00 0.00 O ATOM 0 H GLU A 68 -16.529 1.499 2.263 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.460 1.138 4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -17.763 0.746 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.662 2.206 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -18.243 0.722 2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -18.649 -0.524 3.734 1.00 0.00 H new ATOM 1102 N ALA A 69 -15.459 -1.119 2.892 1.00 0.00 N ATOM 1103 CA ALA A 69 -15.216 -2.514 2.577 1.00 0.00 C ATOM 1104 C ALA A 69 -13.734 -2.824 2.603 1.00 0.00 C ATOM 1105 O ALA A 69 -13.331 -3.940 2.279 1.00 0.00 O ATOM 1106 CB ALA A 69 -15.765 -2.846 1.210 1.00 0.00 C ATOM 0 H ALA A 69 -15.232 -0.477 2.133 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.719 -3.118 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.575 -3.896 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.839 -2.660 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.277 -2.222 0.461 1.00 0.00 H new ATOM 1112 N ALA A 70 -12.934 -1.815 2.956 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.477 -1.959 3.019 1.00 0.00 C ATOM 1114 C ALA A 70 -11.116 -3.240 3.752 1.00 0.00 C ATOM 1115 O ALA A 70 -11.328 -3.364 4.959 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.836 -0.761 3.704 1.00 0.00 C ATOM 0 H ALA A 70 -13.272 -0.885 3.204 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.093 -2.008 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.755 -0.896 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.072 0.146 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.221 -0.674 4.720 1.00 0.00 H new TER 1122 ALA A 70