USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 899 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 89 GLN : amide:sc= -5.25 K(o=-6.5,f=-1.8!) USER MOD Set 1.2: A 91 SER OG : rot -133:sc= -1.26 USER MOD Set 2.1: A 9 ASN : amide:sc= -0.0468 K(o=-0.047,f=-0.59) USER MOD Set 2.2: A 25 GLN : amide:sc= 0 X(o=-0.047,f=-0.52) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.082 (180deg=-0.651) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 43:sc= 0.249 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -1.17 (180deg=-2.57!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.462 K(o=0.46,f=-4.5!) USER MOD Single : A 35 MET CE :methyl 153:sc= -0.0803 (180deg=-0.573) USER MOD Single : A 40 TYR OH : rot -44:sc= 0.305 USER MOD Single : A 42 SER OG : rot -29:sc= 1.44 USER MOD Single : A 46 MET CE :methyl -115:sc= -0.0359 (180deg=-0.426) USER MOD Single : A 50 MET CE :methyl -175:sc= -2.73 (180deg=-2.83!) USER MOD Single : A 51 TYR OH : rot -51:sc= 0.967 USER MOD Single : A 58 THR OG1 : rot 47:sc= 0.175 USER MOD Single : A 62 MET CE :methyl -128:sc= -0.102 (180deg=-0.797) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -4.41 K(o=-4.4,f=-11!) USER MOD Single : A 95 GLN : amide:sc= -4.6 K(o=-4.6,f=-9.7!) USER MOD Single : A 96 TYR OH : rot -6:sc= -1.63 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 105 TYR OH : rot 123:sc= 0.0478 USER MOD Single : A 109 THR OG1 : rot 110:sc= 0.381 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -1.05 K(o=-1,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.317 -1.156 19.587 1.00 0.00 N ATOM 2 CA MET A 1 3.662 -0.927 18.150 1.00 0.00 C ATOM 3 C MET A 1 3.511 -2.250 17.378 1.00 0.00 C ATOM 4 O MET A 1 4.504 -2.913 17.042 1.00 0.00 O ATOM 5 CB MET A 1 5.113 -0.390 18.040 1.00 0.00 C ATOM 6 CG MET A 1 5.276 0.903 18.861 1.00 0.00 C ATOM 7 SD MET A 1 4.220 2.206 18.177 1.00 0.00 S ATOM 8 CE MET A 1 4.610 3.479 19.402 1.00 0.00 C ATOM 0 H1 MET A 1 3.069 -0.250 20.033 1.00 0.00 H new ATOM 0 H2 MET A 1 2.507 -1.806 19.650 1.00 0.00 H new ATOM 0 H3 MET A 1 4.134 -1.572 20.078 1.00 0.00 H new ATOM 0 HA MET A 1 2.988 -0.187 17.719 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.814 -1.145 18.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.357 -0.197 16.995 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.012 0.718 19.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.318 1.223 18.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.057 4.389 19.170 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.329 3.127 20.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.679 3.689 19.381 1.00 0.00 H new ATOM 20 N ASP A 2 2.252 -2.640 17.123 1.00 0.00 N ATOM 21 CA ASP A 2 1.960 -3.891 16.413 1.00 0.00 C ATOM 22 C ASP A 2 2.542 -3.873 15.001 1.00 0.00 C ATOM 23 O ASP A 2 3.103 -4.872 14.540 1.00 0.00 O ATOM 24 CB ASP A 2 0.438 -4.121 16.345 1.00 0.00 C ATOM 25 CG ASP A 2 -0.144 -4.485 17.730 1.00 0.00 C ATOM 26 OD1 ASP A 2 0.623 -4.841 18.620 1.00 0.00 O ATOM 27 OD2 ASP A 2 -1.354 -4.404 17.875 1.00 0.00 O ATOM 0 H ASP A 2 1.425 -2.109 17.397 1.00 0.00 H new ATOM 0 HA ASP A 2 2.425 -4.707 16.966 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.050 -3.222 15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.221 -4.921 15.637 1.00 0.00 H new ATOM 32 N PHE A 3 2.413 -2.727 14.324 1.00 0.00 N ATOM 33 CA PHE A 3 2.936 -2.566 12.967 1.00 0.00 C ATOM 34 C PHE A 3 3.675 -1.247 12.834 1.00 0.00 C ATOM 35 O PHE A 3 3.304 -0.255 13.473 1.00 0.00 O ATOM 36 CB PHE A 3 1.800 -2.636 11.936 1.00 0.00 C ATOM 37 CG PHE A 3 1.140 -3.995 11.991 1.00 0.00 C ATOM 38 CD1 PHE A 3 0.011 -4.195 12.794 1.00 0.00 C ATOM 39 CD2 PHE A 3 1.660 -5.056 11.238 1.00 0.00 C ATOM 40 CE1 PHE A 3 -0.598 -5.454 12.843 1.00 0.00 C ATOM 41 CE2 PHE A 3 1.052 -6.315 11.288 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.079 -6.514 12.091 1.00 0.00 C ATOM 0 H PHE A 3 1.950 -1.898 14.696 1.00 0.00 H new ATOM 0 HA PHE A 3 3.633 -3.381 12.775 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.065 -1.857 12.138 1.00 0.00 H new ATOM 0 HB3 PHE A 3 2.193 -2.453 10.936 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.390 -3.378 13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 3 2.531 -4.902 10.618 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.470 -5.608 13.462 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.454 -7.133 10.708 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.550 -7.485 12.130 1.00 0.00 H new ATOM 52 N ARG A 4 4.711 -1.234 11.991 1.00 0.00 N ATOM 53 CA ARG A 4 5.494 -0.023 11.763 1.00 0.00 C ATOM 54 C ARG A 4 5.991 0.038 10.328 1.00 0.00 C ATOM 55 O ARG A 4 6.246 -0.994 9.700 1.00 0.00 O ATOM 56 CB ARG A 4 6.697 0.046 12.716 1.00 0.00 C ATOM 57 CG ARG A 4 7.159 1.516 12.869 1.00 0.00 C ATOM 58 CD ARG A 4 8.589 1.562 13.391 1.00 0.00 C ATOM 59 NE ARG A 4 8.943 2.937 13.803 1.00 0.00 N ATOM 60 CZ ARG A 4 9.310 3.906 12.924 1.00 0.00 C ATOM 61 NH1 ARG A 4 9.361 3.675 11.630 1.00 0.00 N ATOM 62 NH2 ARG A 4 9.621 5.091 13.373 1.00 0.00 N ATOM 0 H ARG A 4 5.024 -2.046 11.459 1.00 0.00 H new ATOM 0 HA ARG A 4 4.839 0.827 11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.426 -0.363 13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.514 -0.564 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.098 2.027 11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.496 2.045 13.554 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.696 0.883 14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.276 1.219 12.618 1.00 0.00 H new ATOM 0 HE ARG A 4 8.910 3.170 14.796 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.122 2.752 11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.639 4.419 10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.587 5.282 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.898 5.826 12.723 1.00 0.00 H new ATOM 76 N VAL A 5 6.134 1.257 9.826 1.00 0.00 N ATOM 77 CA VAL A 5 6.618 1.496 8.468 1.00 0.00 C ATOM 78 C VAL A 5 7.880 2.368 8.545 1.00 0.00 C ATOM 79 O VAL A 5 7.911 3.352 9.294 1.00 0.00 O ATOM 80 CB VAL A 5 5.527 2.199 7.638 1.00 0.00 C ATOM 81 CG1 VAL A 5 6.008 2.411 6.195 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.241 1.356 7.618 1.00 0.00 C ATOM 0 H VAL A 5 5.919 2.108 10.345 1.00 0.00 H new ATOM 0 HA VAL A 5 6.857 0.550 7.983 1.00 0.00 H new ATOM 0 HB VAL A 5 5.321 3.165 8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.227 2.909 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.906 3.029 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.233 1.446 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.480 1.867 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.451 0.382 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.879 1.221 8.637 1.00 0.00 H new ATOM 92 N VAL A 6 8.930 1.971 7.815 1.00 0.00 N ATOM 93 CA VAL A 6 10.214 2.693 7.860 1.00 0.00 C ATOM 94 C VAL A 6 10.669 3.065 6.443 1.00 0.00 C ATOM 95 O VAL A 6 10.657 2.226 5.538 1.00 0.00 O ATOM 96 CB VAL A 6 11.305 1.827 8.562 1.00 0.00 C ATOM 97 CG1 VAL A 6 12.642 2.618 8.682 1.00 0.00 C ATOM 98 CG2 VAL A 6 10.826 1.393 9.971 1.00 0.00 C ATOM 0 H VAL A 6 8.920 1.164 7.192 1.00 0.00 H new ATOM 0 HA VAL A 6 10.072 3.608 8.435 1.00 0.00 H new ATOM 0 HB VAL A 6 11.476 0.939 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.390 1.996 9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.994 2.890 7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.479 3.522 9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.598 0.789 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.631 2.277 10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.912 0.806 9.880 1.00 0.00 H new ATOM 108 N GLY A 7 11.079 4.327 6.271 1.00 0.00 N ATOM 109 CA GLY A 7 11.555 4.823 4.974 1.00 0.00 C ATOM 110 C GLY A 7 13.046 5.237 5.034 1.00 0.00 C ATOM 111 O GLY A 7 13.353 6.429 4.942 1.00 0.00 O ATOM 0 H GLY A 7 11.091 5.025 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.422 4.050 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.952 5.677 4.667 1.00 0.00 H new ATOM 115 N PRO A 8 13.994 4.275 5.152 1.00 0.00 N ATOM 116 CA PRO A 8 15.456 4.584 5.178 1.00 0.00 C ATOM 117 C PRO A 8 16.084 4.527 3.768 1.00 0.00 C ATOM 118 O PRO A 8 17.301 4.675 3.618 1.00 0.00 O ATOM 119 CB PRO A 8 16.002 3.465 6.044 1.00 0.00 C ATOM 120 CG PRO A 8 15.188 2.270 5.652 1.00 0.00 C ATOM 121 CD PRO A 8 13.790 2.799 5.263 1.00 0.00 C ATOM 0 HA PRO A 8 15.672 5.587 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.064 3.301 5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.892 3.692 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.650 1.743 4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.119 1.561 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.446 2.370 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.043 2.553 6.018 1.00 0.00 H new ATOM 129 N ASN A 9 15.248 4.240 2.755 1.00 0.00 N ATOM 130 CA ASN A 9 15.703 4.078 1.387 1.00 0.00 C ATOM 131 C ASN A 9 16.383 5.335 0.865 1.00 0.00 C ATOM 132 O ASN A 9 15.939 6.456 1.128 1.00 0.00 O ATOM 133 CB ASN A 9 14.515 3.724 0.492 1.00 0.00 C ATOM 134 CG ASN A 9 13.873 2.423 0.968 1.00 0.00 C ATOM 135 OD1 ASN A 9 14.557 1.409 1.111 1.00 0.00 O ATOM 136 ND2 ASN A 9 12.595 2.396 1.238 1.00 0.00 N ATOM 0 H ASN A 9 14.243 4.117 2.874 1.00 0.00 H new ATOM 0 HA ASN A 9 16.437 3.272 1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.781 4.530 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.846 3.619 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.162 1.534 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.031 3.237 1.119 1.00 0.00 H new ATOM 143 N LEU A 10 17.444 5.125 0.093 1.00 0.00 N ATOM 144 CA LEU A 10 18.196 6.209 -0.525 1.00 0.00 C ATOM 145 C LEU A 10 17.357 6.846 -1.646 1.00 0.00 C ATOM 146 O LEU A 10 16.428 6.202 -2.147 1.00 0.00 O ATOM 147 CB LEU A 10 19.521 5.670 -1.101 1.00 0.00 C ATOM 148 CG LEU A 10 20.463 5.237 0.042 1.00 0.00 C ATOM 149 CD1 LEU A 10 21.648 4.466 -0.543 1.00 0.00 C ATOM 150 CD2 LEU A 10 20.996 6.478 0.780 1.00 0.00 C ATOM 0 H LEU A 10 17.807 4.196 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 10 18.421 6.964 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 10 19.322 4.824 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 10 20.002 6.438 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 10 19.911 4.606 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.315 4.159 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.284 3.584 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 10 22.190 5.106 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 10 21.660 6.165 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.545 7.109 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.160 7.040 1.197 1.00 0.00 H new ATOM 162 N PRO A 11 17.629 8.111 -2.042 1.00 0.00 N ATOM 163 CA PRO A 11 16.822 8.789 -3.103 1.00 0.00 C ATOM 164 C PRO A 11 16.865 8.018 -4.420 1.00 0.00 C ATOM 165 O PRO A 11 17.925 7.540 -4.836 1.00 0.00 O ATOM 166 CB PRO A 11 17.486 10.172 -3.251 1.00 0.00 C ATOM 167 CG PRO A 11 18.849 10.017 -2.666 1.00 0.00 C ATOM 168 CD PRO A 11 18.706 9.004 -1.540 1.00 0.00 C ATOM 0 HA PRO A 11 15.766 8.854 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.539 10.473 -4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.917 10.940 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.559 9.669 -3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.223 10.969 -2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.634 8.460 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.432 9.480 -0.599 1.00 0.00 H new ATOM 176 N ILE A 12 15.699 7.905 -5.073 1.00 0.00 N ATOM 177 CA ILE A 12 15.595 7.192 -6.352 1.00 0.00 C ATOM 178 C ILE A 12 15.492 8.210 -7.485 1.00 0.00 C ATOM 179 O ILE A 12 14.634 9.095 -7.456 1.00 0.00 O ATOM 180 CB ILE A 12 14.367 6.236 -6.347 1.00 0.00 C ATOM 181 CG1 ILE A 12 14.526 5.215 -5.191 1.00 0.00 C ATOM 182 CG2 ILE A 12 14.295 5.473 -7.690 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.207 4.451 -4.963 1.00 0.00 C ATOM 0 H ILE A 12 14.819 8.297 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 12 16.486 6.582 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 12 13.455 6.817 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.325 4.512 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.816 5.733 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.434 4.805 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.194 6.186 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 15.206 4.890 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.335 3.738 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.417 5.157 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.934 3.917 -5.873 1.00 0.00 H new ATOM 195 N LEU A 13 16.426 8.121 -8.442 1.00 0.00 N ATOM 196 CA LEU A 13 16.500 9.081 -9.541 1.00 0.00 C ATOM 197 C LEU A 13 16.005 8.480 -10.857 1.00 0.00 C ATOM 198 O LEU A 13 16.598 7.535 -11.383 1.00 0.00 O ATOM 199 CB LEU A 13 17.952 9.579 -9.699 1.00 0.00 C ATOM 200 CG LEU A 13 17.967 11.055 -10.141 1.00 0.00 C ATOM 201 CD1 LEU A 13 19.359 11.649 -9.908 1.00 0.00 C ATOM 202 CD2 LEU A 13 17.611 11.156 -11.626 1.00 0.00 C ATOM 0 H LEU A 13 17.139 7.392 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 13 15.847 9.919 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.486 9.470 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.475 8.967 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 13 17.233 11.610 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.366 12.693 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.609 11.587 -8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.094 11.091 -10.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 17.623 12.202 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.339 10.597 -12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.617 10.741 -11.791 1.00 0.00 H new ATOM 214 N ALA A 14 14.927 9.067 -11.396 1.00 0.00 N ATOM 215 CA ALA A 14 14.356 8.629 -12.669 1.00 0.00 C ATOM 216 C ALA A 14 14.063 9.835 -13.566 1.00 0.00 C ATOM 217 O ALA A 14 13.567 10.861 -13.094 1.00 0.00 O ATOM 218 CB ALA A 14 13.071 7.836 -12.427 1.00 0.00 C ATOM 0 H ALA A 14 14.434 9.849 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 14 15.080 7.987 -13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.656 7.516 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.293 6.961 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.347 8.465 -11.910 1.00 0.00 H new ATOM 224 N LYS A 15 14.385 9.704 -14.858 1.00 0.00 N ATOM 225 CA LYS A 15 14.175 10.789 -15.826 1.00 0.00 C ATOM 226 C LYS A 15 12.692 10.966 -16.149 1.00 0.00 C ATOM 227 O LYS A 15 11.943 9.987 -16.214 1.00 0.00 O ATOM 228 CB LYS A 15 14.945 10.498 -17.116 1.00 0.00 C ATOM 229 CG LYS A 15 16.457 10.517 -16.835 1.00 0.00 C ATOM 230 CD LYS A 15 17.244 10.344 -18.149 1.00 0.00 C ATOM 231 CE LYS A 15 17.110 8.901 -18.661 1.00 0.00 C ATOM 232 NZ LYS A 15 17.919 8.734 -19.901 1.00 0.00 N ATOM 0 H LYS A 15 14.792 8.858 -15.258 1.00 0.00 H new ATOM 0 HA LYS A 15 14.543 11.712 -15.377 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.652 9.527 -17.514 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.697 11.241 -17.874 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.734 11.457 -16.358 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.715 9.718 -16.140 1.00 0.00 H new ATOM 0 HD2 LYS A 15 16.870 11.040 -18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.295 10.584 -17.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.448 8.200 -17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.064 8.672 -18.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.827 7.757 -20.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.577 9.392 -20.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.918 8.936 -19.694 1.00 0.00 H new ATOM 246 N VAL A 16 12.285 12.225 -16.387 1.00 0.00 N ATOM 247 CA VAL A 16 10.896 12.529 -16.748 1.00 0.00 C ATOM 248 C VAL A 16 10.536 11.843 -18.073 1.00 0.00 C ATOM 249 O VAL A 16 11.359 11.772 -18.991 1.00 0.00 O ATOM 250 CB VAL A 16 10.677 14.066 -16.826 1.00 0.00 C ATOM 251 CG1 VAL A 16 11.609 14.682 -17.876 1.00 0.00 C ATOM 252 CG2 VAL A 16 9.213 14.381 -17.195 1.00 0.00 C ATOM 0 H VAL A 16 12.896 13.041 -16.336 1.00 0.00 H new ATOM 0 HA VAL A 16 10.233 12.141 -15.974 1.00 0.00 H new ATOM 0 HB VAL A 16 10.901 14.494 -15.849 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.446 15.759 -17.921 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.646 14.483 -17.604 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.399 14.242 -18.851 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.075 15.461 -17.246 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.979 13.939 -18.164 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.549 13.966 -16.437 1.00 0.00 H new ATOM 262 N GLY A 17 9.323 11.298 -18.129 1.00 0.00 N ATOM 263 CA GLY A 17 8.853 10.554 -19.305 1.00 0.00 C ATOM 264 C GLY A 17 9.052 9.039 -19.111 1.00 0.00 C ATOM 265 O GLY A 17 8.346 8.229 -19.718 1.00 0.00 O ATOM 0 H GLY A 17 8.642 11.356 -17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.798 10.767 -19.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.395 10.886 -20.191 1.00 0.00 H new ATOM 269 N GLU A 18 9.977 8.675 -18.206 1.00 0.00 N ATOM 270 CA GLU A 18 10.227 7.282 -17.855 1.00 0.00 C ATOM 271 C GLU A 18 9.506 6.959 -16.557 1.00 0.00 C ATOM 272 O GLU A 18 9.039 7.866 -15.865 1.00 0.00 O ATOM 273 CB GLU A 18 11.738 7.036 -17.690 1.00 0.00 C ATOM 274 CG GLU A 18 12.386 6.773 -19.058 1.00 0.00 C ATOM 275 CD GLU A 18 12.363 8.042 -19.904 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.406 8.224 -20.639 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.301 8.814 -19.804 1.00 0.00 O ATOM 0 H GLU A 18 10.565 9.340 -17.704 1.00 0.00 H new ATOM 0 HA GLU A 18 9.856 6.637 -18.652 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.205 7.901 -17.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.905 6.184 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.414 6.436 -18.923 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.853 5.974 -19.573 1.00 0.00 H new ATOM 284 N ASP A 19 9.406 5.672 -16.231 1.00 0.00 N ATOM 285 CA ASP A 19 8.726 5.251 -15.008 1.00 0.00 C ATOM 286 C ASP A 19 9.604 5.496 -13.770 1.00 0.00 C ATOM 287 O ASP A 19 10.830 5.589 -13.870 1.00 0.00 O ATOM 288 CB ASP A 19 8.333 3.765 -15.114 1.00 0.00 C ATOM 289 CG ASP A 19 9.568 2.858 -15.321 1.00 0.00 C ATOM 290 OD1 ASP A 19 10.689 3.353 -15.244 1.00 0.00 O ATOM 291 OD2 ASP A 19 9.367 1.678 -15.557 1.00 0.00 O ATOM 0 H ASP A 19 9.784 4.908 -16.791 1.00 0.00 H new ATOM 0 HA ASP A 19 7.822 5.849 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.808 3.462 -14.208 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.640 3.631 -15.945 1.00 0.00 H new ATOM 296 N ALA A 20 8.951 5.604 -12.610 1.00 0.00 N ATOM 297 CA ALA A 20 9.627 5.846 -11.333 1.00 0.00 C ATOM 298 C ALA A 20 9.194 4.792 -10.325 1.00 0.00 C ATOM 299 O ALA A 20 8.206 4.085 -10.556 1.00 0.00 O ATOM 300 CB ALA A 20 9.286 7.241 -10.805 1.00 0.00 C ATOM 0 H ALA A 20 7.937 5.526 -12.530 1.00 0.00 H new ATOM 0 HA ALA A 20 10.705 5.786 -11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.796 7.405 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.610 7.992 -11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.209 7.321 -10.657 1.00 0.00 H new ATOM 306 N LEU A 21 9.963 4.640 -9.230 1.00 0.00 N ATOM 307 CA LEU A 21 9.655 3.602 -8.233 1.00 0.00 C ATOM 308 C LEU A 21 9.483 4.167 -6.820 1.00 0.00 C ATOM 309 O LEU A 21 10.390 4.792 -6.267 1.00 0.00 O ATOM 310 CB LEU A 21 10.746 2.520 -8.246 1.00 0.00 C ATOM 311 CG LEU A 21 10.218 1.213 -7.558 1.00 0.00 C ATOM 312 CD1 LEU A 21 10.776 -0.027 -8.276 1.00 0.00 C ATOM 313 CD2 LEU A 21 10.656 1.183 -6.083 1.00 0.00 C ATOM 0 H LEU A 21 10.783 5.209 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 21 8.698 3.163 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.044 2.305 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.633 2.881 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 21 9.130 1.205 -7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.403 -0.928 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.457 -0.018 -9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.865 -0.015 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.286 0.273 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.744 1.204 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.249 2.051 -5.565 1.00 0.00 H new ATOM 325 N LEU A 22 8.311 3.899 -6.239 1.00 0.00 N ATOM 326 CA LEU A 22 7.977 4.326 -4.868 1.00 0.00 C ATOM 327 C LEU A 22 8.056 3.094 -3.954 1.00 0.00 C ATOM 328 O LEU A 22 7.308 2.145 -4.161 1.00 0.00 O ATOM 329 CB LEU A 22 6.505 4.879 -4.799 1.00 0.00 C ATOM 330 CG LEU A 22 6.108 5.718 -6.055 1.00 0.00 C ATOM 331 CD1 LEU A 22 4.655 6.176 -5.924 1.00 0.00 C ATOM 332 CD2 LEU A 22 7.003 6.947 -6.196 1.00 0.00 C ATOM 0 H LEU A 22 7.564 3.381 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 22 8.671 5.108 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.813 4.043 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.396 5.496 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 22 6.230 5.090 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.378 6.762 -6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.004 5.305 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.546 6.789 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.706 7.514 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.902 7.574 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.041 6.631 -6.300 1.00 0.00 H new ATOM 344 N THR A 23 8.975 3.086 -2.965 1.00 0.00 N ATOM 345 CA THR A 23 9.118 1.891 -2.091 1.00 0.00 C ATOM 346 C THR A 23 9.335 2.223 -0.614 1.00 0.00 C ATOM 347 O THR A 23 9.988 3.206 -0.264 1.00 0.00 O ATOM 348 CB THR A 23 10.260 0.989 -2.595 1.00 0.00 C ATOM 349 OG1 THR A 23 10.372 -0.148 -1.748 1.00 0.00 O ATOM 350 CG2 THR A 23 11.586 1.763 -2.600 1.00 0.00 C ATOM 0 H THR A 23 9.608 3.857 -2.753 1.00 0.00 H new ATOM 0 HA THR A 23 8.165 1.365 -2.153 1.00 0.00 H new ATOM 0 HB THR A 23 10.038 0.668 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.478 -0.495 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.385 1.114 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.500 2.629 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.816 2.097 -1.588 1.00 0.00 H new ATOM 358 N CYS A 24 8.804 1.340 0.239 1.00 0.00 N ATOM 359 CA CYS A 24 8.942 1.444 1.693 1.00 0.00 C ATOM 360 C CYS A 24 8.954 0.047 2.310 1.00 0.00 C ATOM 361 O CYS A 24 8.615 -0.933 1.637 1.00 0.00 O ATOM 362 CB CYS A 24 7.797 2.271 2.289 1.00 0.00 C ATOM 363 SG CYS A 24 6.206 1.456 1.958 1.00 0.00 S ATOM 0 H CYS A 24 8.264 0.529 -0.063 1.00 0.00 H new ATOM 0 HA CYS A 24 9.882 1.947 1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.940 2.385 3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.799 3.273 1.859 1.00 0.00 H new ATOM 368 N GLN A 25 9.381 -0.048 3.580 1.00 0.00 N ATOM 369 CA GLN A 25 9.474 -1.346 4.261 1.00 0.00 C ATOM 370 C GLN A 25 8.464 -1.464 5.402 1.00 0.00 C ATOM 371 O GLN A 25 8.493 -0.686 6.359 1.00 0.00 O ATOM 372 CB GLN A 25 10.891 -1.554 4.802 1.00 0.00 C ATOM 373 CG GLN A 25 11.875 -1.658 3.633 1.00 0.00 C ATOM 374 CD GLN A 25 13.294 -1.859 4.157 1.00 0.00 C ATOM 375 OE1 GLN A 25 13.506 -2.621 5.101 1.00 0.00 O ATOM 376 NE2 GLN A 25 14.283 -1.218 3.597 1.00 0.00 N ATOM 0 H GLN A 25 9.664 0.750 4.149 1.00 0.00 H new ATOM 0 HA GLN A 25 9.242 -2.119 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.169 -0.724 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.931 -2.460 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.597 -2.490 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.828 -0.754 3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.105 -0.588 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.235 -1.347 3.941 1.00 0.00 H new ATOM 385 N LEU A 26 7.597 -2.474 5.300 1.00 0.00 N ATOM 386 CA LEU A 26 6.592 -2.757 6.328 1.00 0.00 C ATOM 387 C LEU A 26 6.577 -4.251 6.659 1.00 0.00 C ATOM 388 O LEU A 26 6.974 -5.074 5.829 1.00 0.00 O ATOM 389 CB LEU A 26 5.192 -2.273 5.881 1.00 0.00 C ATOM 390 CG LEU A 26 4.788 -2.915 4.521 1.00 0.00 C ATOM 391 CD1 LEU A 26 4.102 -4.270 4.758 1.00 0.00 C ATOM 392 CD2 LEU A 26 3.814 -1.980 3.775 1.00 0.00 C ATOM 0 H LEU A 26 7.571 -3.116 4.507 1.00 0.00 H new ATOM 0 HA LEU A 26 6.859 -2.208 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.455 -2.529 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.191 -1.187 5.789 1.00 0.00 H new ATOM 0 HG LEU A 26 5.687 -3.065 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.824 -4.710 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.787 -4.939 5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.207 -4.124 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.533 -2.432 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.921 -1.826 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.299 -1.021 3.592 1.00 0.00 H new ATOM 404 N LEU A 27 6.157 -4.595 7.886 1.00 0.00 N ATOM 405 CA LEU A 27 6.130 -5.999 8.320 1.00 0.00 C ATOM 406 C LEU A 27 4.665 -6.524 8.383 1.00 0.00 C ATOM 407 O LEU A 27 3.944 -6.201 9.332 1.00 0.00 O ATOM 408 CB LEU A 27 6.791 -6.121 9.717 1.00 0.00 C ATOM 409 CG LEU A 27 6.843 -7.599 10.184 1.00 0.00 C ATOM 410 CD1 LEU A 27 7.794 -8.415 9.291 1.00 0.00 C ATOM 411 CD2 LEU A 27 7.333 -7.657 11.633 1.00 0.00 C ATOM 0 H LEU A 27 5.835 -3.928 8.588 1.00 0.00 H new ATOM 0 HA LEU A 27 6.683 -6.601 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.801 -5.712 9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.232 -5.527 10.440 1.00 0.00 H new ATOM 0 HG LEU A 27 5.842 -8.025 10.112 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.817 -9.449 9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.442 -8.383 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.797 -7.992 9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.370 -8.695 11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.329 -7.220 11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.649 -7.098 12.271 1.00 0.00 H new ATOM 423 N PRO A 28 4.208 -7.346 7.399 1.00 0.00 N ATOM 424 CA PRO A 28 2.817 -7.903 7.409 1.00 0.00 C ATOM 425 C PRO A 28 2.685 -9.091 8.360 1.00 0.00 C ATOM 426 O PRO A 28 3.611 -9.898 8.486 1.00 0.00 O ATOM 427 CB PRO A 28 2.606 -8.341 5.964 1.00 0.00 C ATOM 428 CG PRO A 28 3.961 -8.752 5.496 1.00 0.00 C ATOM 429 CD PRO A 28 4.956 -7.822 6.195 1.00 0.00 C ATOM 0 HA PRO A 28 2.081 -7.178 7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.897 -9.166 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.206 -7.528 5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.160 -9.794 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.042 -8.664 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.869 -8.348 6.473 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.249 -6.992 5.552 1.00 0.00 H new ATOM 437 N LYS A 29 1.508 -9.220 8.983 1.00 0.00 N ATOM 438 CA LYS A 29 1.233 -10.361 9.886 1.00 0.00 C ATOM 439 C LYS A 29 0.677 -11.572 9.111 1.00 0.00 C ATOM 440 O LYS A 29 0.775 -12.715 9.563 1.00 0.00 O ATOM 441 CB LYS A 29 0.244 -9.954 10.998 1.00 0.00 C ATOM 442 CG LYS A 29 -1.097 -9.438 10.387 1.00 0.00 C ATOM 443 CD LYS A 29 -2.297 -9.974 11.200 1.00 0.00 C ATOM 444 CE LYS A 29 -2.455 -9.170 12.494 1.00 0.00 C ATOM 445 NZ LYS A 29 -1.373 -9.544 13.450 1.00 0.00 N ATOM 0 H LYS A 29 0.735 -8.562 8.886 1.00 0.00 H new ATOM 0 HA LYS A 29 2.180 -10.650 10.341 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.048 -10.808 11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.689 -9.177 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.108 -8.348 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.179 -9.760 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.209 -9.906 10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.147 -11.028 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.411 -8.102 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.431 -9.365 12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.707 -9.403 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.118 -10.543 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.538 -8.947 13.281 1.00 0.00 H new ATOM 459 N ARG A 30 0.061 -11.287 7.970 1.00 0.00 N ATOM 460 CA ARG A 30 -0.574 -12.289 7.121 1.00 0.00 C ATOM 461 C ARG A 30 -0.901 -11.629 5.777 1.00 0.00 C ATOM 462 O ARG A 30 -0.546 -10.460 5.561 1.00 0.00 O ATOM 463 CB ARG A 30 -1.871 -12.809 7.792 1.00 0.00 C ATOM 464 CG ARG A 30 -2.098 -14.306 7.464 1.00 0.00 C ATOM 465 CD ARG A 30 -1.260 -15.180 8.405 1.00 0.00 C ATOM 466 NE ARG A 30 -1.873 -15.221 9.747 1.00 0.00 N ATOM 467 CZ ARG A 30 -1.314 -15.871 10.801 1.00 0.00 C ATOM 468 NH1 ARG A 30 -0.168 -16.514 10.682 1.00 0.00 N ATOM 469 NH2 ARG A 30 -1.925 -15.861 11.954 1.00 0.00 N ATOM 0 H ARG A 30 -0.013 -10.338 7.602 1.00 0.00 H new ATOM 0 HA ARG A 30 0.093 -13.138 6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.806 -12.674 8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.724 -12.223 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.154 -14.554 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.824 -14.506 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.183 -16.190 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.246 -14.785 8.473 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.760 -14.738 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.317 -16.530 9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.233 -16.995 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.812 -15.369 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.515 -16.345 12.753 1.00 0.00 H new ATOM 483 N THR A 31 -1.592 -12.356 4.879 1.00 0.00 N ATOM 484 CA THR A 31 -1.977 -11.795 3.578 1.00 0.00 C ATOM 485 C THR A 31 -2.608 -10.416 3.781 1.00 0.00 C ATOM 486 O THR A 31 -3.122 -10.123 4.868 1.00 0.00 O ATOM 487 CB THR A 31 -2.974 -12.727 2.881 1.00 0.00 C ATOM 488 OG1 THR A 31 -4.098 -12.933 3.724 1.00 0.00 O ATOM 489 CG2 THR A 31 -2.305 -14.069 2.575 1.00 0.00 C ATOM 0 H THR A 31 -1.890 -13.320 5.030 1.00 0.00 H new ATOM 0 HA THR A 31 -1.090 -11.696 2.953 1.00 0.00 H new ATOM 0 HB THR A 31 -3.300 -12.271 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.737 -13.528 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.019 -14.727 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.447 -13.907 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.972 -14.530 3.505 1.00 0.00 H new ATOM 497 N THR A 32 -2.480 -9.548 2.779 1.00 0.00 N ATOM 498 CA THR A 32 -2.947 -8.160 2.907 1.00 0.00 C ATOM 499 C THR A 32 -4.422 -8.010 2.491 1.00 0.00 C ATOM 500 O THR A 32 -4.831 -6.978 1.926 1.00 0.00 O ATOM 501 CB THR A 32 -2.044 -7.195 2.111 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.154 -7.469 0.723 1.00 0.00 O ATOM 503 CG2 THR A 32 -0.577 -7.353 2.553 1.00 0.00 C ATOM 0 H THR A 32 -2.062 -9.773 1.876 1.00 0.00 H new ATOM 0 HA THR A 32 -2.881 -7.893 3.962 1.00 0.00 H new ATOM 0 HB THR A 32 -2.366 -6.172 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.580 -6.853 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.050 -6.667 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.491 -7.127 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.251 -8.377 2.372 1.00 0.00 H new ATOM 511 N ALA A 33 -5.218 -9.039 2.813 1.00 0.00 N ATOM 512 CA ALA A 33 -6.654 -9.030 2.547 1.00 0.00 C ATOM 513 C ALA A 33 -7.341 -7.909 3.341 1.00 0.00 C ATOM 514 O ALA A 33 -8.272 -7.263 2.851 1.00 0.00 O ATOM 515 CB ALA A 33 -7.269 -10.380 2.923 1.00 0.00 C ATOM 0 H ALA A 33 -4.884 -9.892 3.261 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.805 -8.851 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.340 -10.361 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.802 -11.169 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.104 -10.572 3.983 1.00 0.00 H new ATOM 521 N HIS A 34 -6.887 -7.711 4.588 1.00 0.00 N ATOM 522 CA HIS A 34 -7.456 -6.684 5.475 1.00 0.00 C ATOM 523 C HIS A 34 -6.414 -5.581 5.776 1.00 0.00 C ATOM 524 O HIS A 34 -6.402 -4.998 6.865 1.00 0.00 O ATOM 525 CB HIS A 34 -7.942 -7.343 6.787 1.00 0.00 C ATOM 526 CG HIS A 34 -8.989 -6.480 7.459 1.00 0.00 C ATOM 527 ND1 HIS A 34 -8.668 -5.318 8.146 1.00 0.00 N ATOM 528 CD2 HIS A 34 -10.353 -6.606 7.557 1.00 0.00 C ATOM 529 CE1 HIS A 34 -9.815 -4.798 8.621 1.00 0.00 C ATOM 530 NE2 HIS A 34 -10.872 -5.544 8.290 1.00 0.00 N ATOM 0 H HIS A 34 -6.127 -8.249 5.005 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.304 -6.217 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.357 -8.328 6.574 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.098 -7.491 7.461 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.733 -4.929 8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.935 -7.409 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.873 -3.888 9.200 1.00 0.00 H new ATOM 538 N MET A 35 -5.534 -5.314 4.797 1.00 0.00 N ATOM 539 CA MET A 35 -4.485 -4.297 4.950 1.00 0.00 C ATOM 540 C MET A 35 -4.535 -3.291 3.803 1.00 0.00 C ATOM 541 O MET A 35 -4.935 -3.634 2.683 1.00 0.00 O ATOM 542 CB MET A 35 -3.101 -4.961 4.994 1.00 0.00 C ATOM 543 CG MET A 35 -2.850 -5.574 6.379 1.00 0.00 C ATOM 544 SD MET A 35 -3.753 -7.140 6.518 1.00 0.00 S ATOM 545 CE MET A 35 -2.574 -7.996 7.595 1.00 0.00 C ATOM 0 H MET A 35 -5.529 -5.788 3.894 1.00 0.00 H new ATOM 0 HA MET A 35 -4.660 -3.769 5.887 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.036 -5.735 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.329 -4.225 4.769 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.783 -5.742 6.526 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.174 -4.884 7.158 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.099 -8.746 8.186 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.812 -8.482 6.986 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.100 -7.275 8.262 1.00 0.00 H new ATOM 555 N GLU A 36 -4.133 -2.045 4.094 1.00 0.00 N ATOM 556 CA GLU A 36 -4.136 -0.977 3.087 1.00 0.00 C ATOM 557 C GLU A 36 -2.804 -0.222 3.079 1.00 0.00 C ATOM 558 O GLU A 36 -2.275 0.131 4.137 1.00 0.00 O ATOM 559 CB GLU A 36 -5.289 0.007 3.361 1.00 0.00 C ATOM 560 CG GLU A 36 -5.436 1.032 2.198 1.00 0.00 C ATOM 561 CD GLU A 36 -5.407 2.461 2.746 1.00 0.00 C ATOM 562 OE1 GLU A 36 -4.553 2.740 3.570 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.238 3.252 2.334 1.00 0.00 O ATOM 0 H GLU A 36 -3.803 -1.754 5.014 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.277 -1.437 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.221 -0.545 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.106 0.536 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.629 0.894 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.371 0.858 1.666 1.00 0.00 H new ATOM 570 N VAL A 37 -2.281 0.036 1.874 1.00 0.00 N ATOM 571 CA VAL A 37 -1.016 0.770 1.710 1.00 0.00 C ATOM 572 C VAL A 37 -1.257 2.030 0.855 1.00 0.00 C ATOM 573 O VAL A 37 -1.875 1.949 -0.211 1.00 0.00 O ATOM 574 CB VAL A 37 0.058 -0.140 1.053 1.00 0.00 C ATOM 575 CG1 VAL A 37 1.385 0.624 0.897 1.00 0.00 C ATOM 576 CG2 VAL A 37 0.293 -1.380 1.931 1.00 0.00 C ATOM 0 H VAL A 37 -2.713 -0.252 0.996 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.649 1.073 2.691 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.299 -0.444 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.127 -0.027 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.229 1.500 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.740 0.941 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.047 -2.016 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.638 -1.068 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.639 -1.936 2.032 1.00 0.00 H new ATOM 586 N ARG A 38 -0.803 3.196 1.355 1.00 0.00 N ATOM 587 CA ARG A 38 -1.022 4.473 0.650 1.00 0.00 C ATOM 588 C ARG A 38 0.298 5.156 0.252 1.00 0.00 C ATOM 589 O ARG A 38 1.265 5.183 1.032 1.00 0.00 O ATOM 590 CB ARG A 38 -1.854 5.414 1.528 1.00 0.00 C ATOM 591 CG ARG A 38 -3.262 4.834 1.701 1.00 0.00 C ATOM 592 CD ARG A 38 -4.025 5.629 2.766 1.00 0.00 C ATOM 593 NE ARG A 38 -4.213 7.028 2.339 1.00 0.00 N ATOM 594 CZ ARG A 38 -4.762 7.980 3.144 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.179 7.691 4.363 1.00 0.00 N ATOM 596 NH2 ARG A 38 -4.862 9.204 2.707 1.00 0.00 N ATOM 0 H ARG A 38 -0.289 3.280 2.232 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.561 4.250 -0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.378 5.538 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.909 6.402 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.799 4.870 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.200 3.785 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.995 5.166 2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.478 5.602 3.708 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.919 7.295 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.093 6.739 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.587 8.420 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.531 9.440 1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.271 9.926 3.300 1.00 0.00 H new ATOM 610 N TRP A 39 0.298 5.739 -0.971 1.00 0.00 N ATOM 611 CA TRP A 39 1.455 6.472 -1.520 1.00 0.00 C ATOM 612 C TRP A 39 1.066 7.935 -1.807 1.00 0.00 C ATOM 613 O TRP A 39 -0.100 8.225 -2.111 1.00 0.00 O ATOM 614 CB TRP A 39 1.938 5.815 -2.825 1.00 0.00 C ATOM 615 CG TRP A 39 2.505 4.456 -2.544 1.00 0.00 C ATOM 616 CD1 TRP A 39 3.812 4.192 -2.302 1.00 0.00 C ATOM 617 CD2 TRP A 39 1.815 3.176 -2.488 1.00 0.00 C ATOM 618 NE1 TRP A 39 3.962 2.835 -2.091 1.00 0.00 N ATOM 619 CE2 TRP A 39 2.761 2.166 -2.198 1.00 0.00 C ATOM 620 CE3 TRP A 39 0.470 2.794 -2.656 1.00 0.00 C ATOM 621 CZ2 TRP A 39 2.393 0.830 -2.078 1.00 0.00 C ATOM 622 CZ3 TRP A 39 0.095 1.445 -2.536 1.00 0.00 C ATOM 623 CH2 TRP A 39 1.056 0.465 -2.248 1.00 0.00 C ATOM 0 H TRP A 39 -0.504 5.712 -1.600 1.00 0.00 H new ATOM 0 HA TRP A 39 2.258 6.443 -0.784 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.109 5.732 -3.527 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.694 6.442 -3.297 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.607 4.923 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 39 4.852 2.383 -1.882 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.277 3.542 -2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.137 0.080 -1.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.939 1.161 -2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.762 -0.570 -2.158 1.00 0.00 H new ATOM 634 N TYR A 40 2.036 8.859 -1.660 1.00 0.00 N ATOM 635 CA TYR A 40 1.762 10.306 -1.852 1.00 0.00 C ATOM 636 C TYR A 40 2.800 10.965 -2.778 1.00 0.00 C ATOM 637 O TYR A 40 3.939 10.525 -2.857 1.00 0.00 O ATOM 638 CB TYR A 40 1.781 11.032 -0.492 1.00 0.00 C ATOM 639 CG TYR A 40 0.758 10.413 0.435 1.00 0.00 C ATOM 640 CD1 TYR A 40 1.150 9.396 1.312 1.00 0.00 C ATOM 641 CD2 TYR A 40 -0.571 10.843 0.412 1.00 0.00 C ATOM 642 CE1 TYR A 40 0.218 8.808 2.164 1.00 0.00 C ATOM 643 CE2 TYR A 40 -1.508 10.254 1.268 1.00 0.00 C ATOM 644 CZ TYR A 40 -1.110 9.236 2.144 1.00 0.00 C ATOM 645 OH TYR A 40 -2.026 8.651 2.982 1.00 0.00 O ATOM 0 H TYR A 40 3.001 8.640 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 40 0.779 10.391 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.774 10.966 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.564 12.091 -0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.178 9.066 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.874 11.628 -0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.523 8.022 2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.536 10.584 1.253 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.904 7.679 2.973 1.00 0.00 H new ATOM 655 N ARG A 41 2.403 12.061 -3.438 1.00 0.00 N ATOM 656 CA ARG A 41 3.324 12.821 -4.298 1.00 0.00 C ATOM 657 C ARG A 41 3.507 14.243 -3.748 1.00 0.00 C ATOM 658 O ARG A 41 2.877 15.196 -4.225 1.00 0.00 O ATOM 659 CB ARG A 41 2.811 12.865 -5.747 1.00 0.00 C ATOM 660 CG ARG A 41 2.926 11.475 -6.374 1.00 0.00 C ATOM 661 CD ARG A 41 2.637 11.564 -7.875 1.00 0.00 C ATOM 662 NE ARG A 41 1.247 11.999 -8.113 1.00 0.00 N ATOM 663 CZ ARG A 41 0.770 12.327 -9.343 1.00 0.00 C ATOM 664 NH1 ARG A 41 1.541 12.278 -10.414 1.00 0.00 N ATOM 665 NH2 ARG A 41 -0.474 12.699 -9.468 1.00 0.00 N ATOM 0 H ARG A 41 1.457 12.440 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 41 4.290 12.317 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.774 13.199 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.389 13.585 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.925 11.072 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.224 10.791 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.328 12.265 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.804 10.593 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 41 0.613 12.056 -7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.516 11.990 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.162 12.529 -11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.078 12.742 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.842 12.947 -10.386 1.00 0.00 H new ATOM 679 N SER A 42 4.345 14.366 -2.702 1.00 0.00 N ATOM 680 CA SER A 42 4.585 15.665 -2.043 1.00 0.00 C ATOM 681 C SER A 42 3.293 16.253 -1.419 1.00 0.00 C ATOM 682 O SER A 42 3.296 17.390 -0.939 1.00 0.00 O ATOM 683 CB SER A 42 5.199 16.669 -3.034 1.00 0.00 C ATOM 684 OG SER A 42 4.163 17.310 -3.772 1.00 0.00 O ATOM 0 H SER A 42 4.865 13.588 -2.296 1.00 0.00 H new ATOM 0 HA SER A 42 5.289 15.486 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.788 17.412 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.878 16.155 -3.714 1.00 0.00 H new ATOM 0 HG SER A 42 3.394 16.707 -3.848 1.00 0.00 H new ATOM 690 N ASP A 43 2.198 15.464 -1.422 1.00 0.00 N ATOM 691 CA ASP A 43 0.923 15.895 -0.853 1.00 0.00 C ATOM 692 C ASP A 43 0.354 14.805 0.103 1.00 0.00 C ATOM 693 O ASP A 43 -0.589 14.085 -0.259 1.00 0.00 O ATOM 694 CB ASP A 43 -0.079 16.219 -1.973 1.00 0.00 C ATOM 695 CG ASP A 43 0.458 17.353 -2.840 1.00 0.00 C ATOM 696 OD1 ASP A 43 1.451 17.139 -3.513 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.132 18.421 -2.814 1.00 0.00 O ATOM 0 H ASP A 43 2.181 14.523 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 43 1.090 16.801 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.253 15.333 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.039 16.503 -1.542 1.00 0.00 H new ATOM 702 N PRO A 44 0.931 14.642 1.315 1.00 0.00 N ATOM 703 CA PRO A 44 0.472 13.592 2.292 1.00 0.00 C ATOM 704 C PRO A 44 -1.031 13.674 2.561 1.00 0.00 C ATOM 705 O PRO A 44 -1.688 12.647 2.766 1.00 0.00 O ATOM 706 CB PRO A 44 1.266 13.919 3.561 1.00 0.00 C ATOM 707 CG PRO A 44 2.507 14.575 3.065 1.00 0.00 C ATOM 708 CD PRO A 44 2.070 15.426 1.882 1.00 0.00 C ATOM 0 HA PRO A 44 0.640 12.581 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.704 14.580 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.494 13.018 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.965 15.188 3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.249 13.835 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.759 16.423 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.874 15.554 1.157 1.00 0.00 H new ATOM 716 N ASP A 45 -1.560 14.899 2.582 1.00 0.00 N ATOM 717 CA ASP A 45 -2.984 15.122 2.849 1.00 0.00 C ATOM 718 C ASP A 45 -3.866 14.468 1.779 1.00 0.00 C ATOM 719 O ASP A 45 -4.971 14.003 2.079 1.00 0.00 O ATOM 720 CB ASP A 45 -3.277 16.623 2.912 1.00 0.00 C ATOM 721 CG ASP A 45 -4.711 16.858 3.374 1.00 0.00 C ATOM 722 OD1 ASP A 45 -5.016 16.500 4.499 1.00 0.00 O ATOM 723 OD2 ASP A 45 -5.484 17.391 2.594 1.00 0.00 O ATOM 0 H ASP A 45 -1.025 15.752 2.418 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.218 14.662 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.582 17.109 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.124 17.073 1.931 1.00 0.00 H new ATOM 728 N MET A 46 -3.377 14.451 0.528 1.00 0.00 N ATOM 729 CA MET A 46 -4.130 13.868 -0.592 1.00 0.00 C ATOM 730 C MET A 46 -3.421 12.604 -1.170 1.00 0.00 C ATOM 731 O MET A 46 -2.389 12.739 -1.835 1.00 0.00 O ATOM 732 CB MET A 46 -4.321 14.928 -1.704 1.00 0.00 C ATOM 733 CG MET A 46 -5.098 14.318 -2.889 1.00 0.00 C ATOM 734 SD MET A 46 -5.721 15.636 -3.961 1.00 0.00 S ATOM 735 CE MET A 46 -7.126 16.123 -2.930 1.00 0.00 C ATOM 0 H MET A 46 -2.467 14.833 0.269 1.00 0.00 H new ATOM 0 HA MET A 46 -5.103 13.555 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.861 15.788 -1.309 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.350 15.290 -2.043 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.448 13.652 -3.457 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.928 13.715 -2.519 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.056 15.909 -3.457 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.102 15.564 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.068 17.190 -2.716 1.00 0.00 H new ATOM 745 N PRO A 47 -3.983 11.380 -0.984 1.00 0.00 N ATOM 746 CA PRO A 47 -3.389 10.143 -1.576 1.00 0.00 C ATOM 747 C PRO A 47 -3.650 10.052 -3.080 1.00 0.00 C ATOM 748 O PRO A 47 -4.665 10.554 -3.572 1.00 0.00 O ATOM 749 CB PRO A 47 -4.092 9.014 -0.830 1.00 0.00 C ATOM 750 CG PRO A 47 -5.435 9.569 -0.502 1.00 0.00 C ATOM 751 CD PRO A 47 -5.216 11.052 -0.206 1.00 0.00 C ATOM 0 HA PRO A 47 -2.304 10.114 -1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.171 8.119 -1.447 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.547 8.733 0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.127 9.435 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.869 9.059 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.066 11.656 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.079 11.233 0.860 1.00 0.00 H new ATOM 759 N VAL A 48 -2.728 9.400 -3.803 1.00 0.00 N ATOM 760 CA VAL A 48 -2.867 9.235 -5.259 1.00 0.00 C ATOM 761 C VAL A 48 -3.448 7.852 -5.586 1.00 0.00 C ATOM 762 O VAL A 48 -4.462 7.742 -6.282 1.00 0.00 O ATOM 763 CB VAL A 48 -1.491 9.426 -5.957 1.00 0.00 C ATOM 764 CG1 VAL A 48 -1.639 9.301 -7.484 1.00 0.00 C ATOM 765 CG2 VAL A 48 -0.928 10.816 -5.624 1.00 0.00 C ATOM 0 H VAL A 48 -1.885 8.982 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.553 9.995 -5.633 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.813 8.653 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.666 9.437 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.028 8.313 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.328 10.064 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.036 10.945 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.619 11.582 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.801 10.908 -4.545 1.00 0.00 H new ATOM 775 N ILE A 49 -2.793 6.809 -5.070 1.00 0.00 N ATOM 776 CA ILE A 49 -3.228 5.431 -5.289 1.00 0.00 C ATOM 777 C ILE A 49 -2.935 4.581 -4.045 1.00 0.00 C ATOM 778 O ILE A 49 -1.962 4.836 -3.329 1.00 0.00 O ATOM 779 CB ILE A 49 -2.539 4.849 -6.554 1.00 0.00 C ATOM 780 CG1 ILE A 49 -3.088 3.441 -6.873 1.00 0.00 C ATOM 781 CG2 ILE A 49 -1.018 4.781 -6.358 1.00 0.00 C ATOM 782 CD1 ILE A 49 -4.515 3.551 -7.425 1.00 0.00 C ATOM 0 H ILE A 49 -1.955 6.896 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.305 5.414 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.758 5.511 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.444 2.946 -7.600 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.083 2.826 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.554 4.371 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.630 5.783 -6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.789 4.141 -5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.897 2.555 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.156 4.028 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.508 4.149 -8.336 1.00 0.00 H new ATOM 794 N MET A 50 -3.803 3.598 -3.779 1.00 0.00 N ATOM 795 CA MET A 50 -3.655 2.741 -2.595 1.00 0.00 C ATOM 796 C MET A 50 -3.888 1.275 -2.935 1.00 0.00 C ATOM 797 O MET A 50 -4.626 0.947 -3.874 1.00 0.00 O ATOM 798 CB MET A 50 -4.631 3.184 -1.477 1.00 0.00 C ATOM 799 CG MET A 50 -6.087 3.157 -1.987 1.00 0.00 C ATOM 800 SD MET A 50 -6.787 1.494 -1.760 1.00 0.00 S ATOM 801 CE MET A 50 -7.782 1.846 -0.287 1.00 0.00 C ATOM 0 H MET A 50 -4.610 3.376 -4.362 1.00 0.00 H new ATOM 0 HA MET A 50 -2.631 2.849 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 50 -4.529 2.524 -0.615 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.376 4.189 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.685 3.890 -1.446 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.118 3.434 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.233 0.923 0.076 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.145 2.269 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.567 2.559 -0.540 1.00 0.00 H new ATOM 811 N TYR A 51 -3.243 0.404 -2.161 1.00 0.00 N ATOM 812 CA TYR A 51 -3.345 -1.037 -2.350 1.00 0.00 C ATOM 813 C TYR A 51 -4.057 -1.655 -1.146 1.00 0.00 C ATOM 814 O TYR A 51 -3.508 -1.682 -0.041 1.00 0.00 O ATOM 815 CB TYR A 51 -1.930 -1.616 -2.488 1.00 0.00 C ATOM 816 CG TYR A 51 -1.971 -3.001 -3.095 1.00 0.00 C ATOM 817 CD1 TYR A 51 -2.278 -3.157 -4.452 1.00 0.00 C ATOM 818 CD2 TYR A 51 -1.680 -4.126 -2.310 1.00 0.00 C ATOM 819 CE1 TYR A 51 -2.292 -4.433 -5.025 1.00 0.00 C ATOM 820 CE2 TYR A 51 -1.699 -5.402 -2.885 1.00 0.00 C ATOM 821 CZ TYR A 51 -2.003 -5.555 -4.242 1.00 0.00 C ATOM 822 OH TYR A 51 -2.014 -6.813 -4.808 1.00 0.00 O ATOM 0 H TYR A 51 -2.637 0.679 -1.388 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.917 -1.263 -3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.323 -0.959 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.452 -1.657 -1.509 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.504 -2.291 -5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.442 -4.008 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.526 -4.552 -6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.479 -6.269 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.857 -6.948 -5.290 1.00 0.00 H new ATOM 832 N ARG A 52 -5.303 -2.102 -1.359 1.00 0.00 N ATOM 833 CA ARG A 52 -6.121 -2.663 -0.277 1.00 0.00 C ATOM 834 C ARG A 52 -6.702 -4.022 -0.674 1.00 0.00 C ATOM 835 O ARG A 52 -7.122 -4.220 -1.819 1.00 0.00 O ATOM 836 CB ARG A 52 -7.255 -1.683 0.087 1.00 0.00 C ATOM 837 CG ARG A 52 -8.040 -2.202 1.305 1.00 0.00 C ATOM 838 CD ARG A 52 -9.172 -1.230 1.638 1.00 0.00 C ATOM 839 NE ARG A 52 -10.161 -1.197 0.543 1.00 0.00 N ATOM 840 CZ ARG A 52 -11.142 -2.127 0.399 1.00 0.00 C ATOM 841 NH1 ARG A 52 -11.270 -3.129 1.248 1.00 0.00 N ATOM 842 NH2 ARG A 52 -11.975 -2.027 -0.601 1.00 0.00 N ATOM 0 H ARG A 52 -5.764 -2.086 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.483 -2.811 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.839 -0.700 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.927 -1.562 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.447 -3.191 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.374 -2.308 2.161 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.658 -1.532 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.766 -0.231 1.800 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.106 -0.440 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.625 -3.218 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.014 -3.815 1.119 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.886 -1.257 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.715 -2.719 -0.719 1.00 0.00 H new ATOM 856 N ASP A 53 -6.727 -4.946 0.291 1.00 0.00 N ATOM 857 CA ASP A 53 -7.258 -6.290 0.065 1.00 0.00 C ATOM 858 C ASP A 53 -6.541 -6.973 -1.104 1.00 0.00 C ATOM 859 O ASP A 53 -7.157 -7.701 -1.898 1.00 0.00 O ATOM 860 CB ASP A 53 -8.780 -6.217 -0.194 1.00 0.00 C ATOM 861 CG ASP A 53 -9.433 -7.603 -0.057 1.00 0.00 C ATOM 862 OD1 ASP A 53 -8.940 -8.411 0.717 1.00 0.00 O ATOM 863 OD2 ASP A 53 -10.422 -7.832 -0.734 1.00 0.00 O ATOM 0 H ASP A 53 -6.384 -4.785 1.238 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.081 -6.889 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.239 -5.524 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.963 -5.823 -1.193 1.00 0.00 H new ATOM 868 N GLY A 54 -5.226 -6.762 -1.175 1.00 0.00 N ATOM 869 CA GLY A 54 -4.400 -7.379 -2.216 1.00 0.00 C ATOM 870 C GLY A 54 -4.718 -6.823 -3.619 1.00 0.00 C ATOM 871 O GLY A 54 -4.417 -7.476 -4.623 1.00 0.00 O ATOM 0 H GLY A 54 -4.710 -6.169 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.347 -7.209 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.557 -8.458 -2.210 1.00 0.00 H new ATOM 875 N ALA A 55 -5.358 -5.635 -3.683 1.00 0.00 N ATOM 876 CA ALA A 55 -5.731 -5.036 -4.977 1.00 0.00 C ATOM 877 C ALA A 55 -5.689 -3.505 -4.936 1.00 0.00 C ATOM 878 O ALA A 55 -5.961 -2.893 -3.901 1.00 0.00 O ATOM 879 CB ALA A 55 -7.128 -5.503 -5.385 1.00 0.00 C ATOM 0 H ALA A 55 -5.622 -5.082 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.999 -5.368 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.396 -5.056 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.136 -6.589 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.849 -5.198 -4.627 1.00 0.00 H new ATOM 885 N GLU A 56 -5.387 -2.898 -6.093 1.00 0.00 N ATOM 886 CA GLU A 56 -5.352 -1.435 -6.229 1.00 0.00 C ATOM 887 C GLU A 56 -6.763 -0.876 -6.451 1.00 0.00 C ATOM 888 O GLU A 56 -7.638 -1.575 -6.972 1.00 0.00 O ATOM 889 CB GLU A 56 -4.420 -1.024 -7.390 1.00 0.00 C ATOM 890 CG GLU A 56 -4.945 -1.595 -8.734 1.00 0.00 C ATOM 891 CD GLU A 56 -3.998 -1.254 -9.908 1.00 0.00 C ATOM 892 OE1 GLU A 56 -2.967 -0.626 -9.679 1.00 0.00 O ATOM 893 OE2 GLU A 56 -4.325 -1.628 -11.023 1.00 0.00 O ATOM 0 H GLU A 56 -5.163 -3.401 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.960 -1.015 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.359 0.063 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.411 -1.390 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.050 -2.677 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.937 -1.192 -8.938 1.00 0.00 H new ATOM 900 N VAL A 57 -6.977 0.383 -6.043 1.00 0.00 N ATOM 901 CA VAL A 57 -8.293 1.024 -6.190 1.00 0.00 C ATOM 902 C VAL A 57 -8.430 1.743 -7.551 1.00 0.00 C ATOM 903 O VAL A 57 -7.432 2.128 -8.166 1.00 0.00 O ATOM 904 CB VAL A 57 -8.556 2.000 -5.015 1.00 0.00 C ATOM 905 CG1 VAL A 57 -7.636 3.229 -5.107 1.00 0.00 C ATOM 906 CG2 VAL A 57 -10.020 2.454 -5.047 1.00 0.00 C ATOM 0 H VAL A 57 -6.265 0.973 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.050 0.240 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.347 1.481 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.839 3.899 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.595 2.908 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.821 3.752 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.206 3.140 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.224 2.959 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.672 1.586 -4.951 1.00 0.00 H new ATOM 916 N THR A 58 -9.682 1.927 -7.987 1.00 0.00 N ATOM 917 CA THR A 58 -9.987 2.615 -9.248 1.00 0.00 C ATOM 918 C THR A 58 -9.171 2.045 -10.421 1.00 0.00 C ATOM 919 O THR A 58 -8.200 2.659 -10.886 1.00 0.00 O ATOM 920 CB THR A 58 -9.750 4.137 -9.106 1.00 0.00 C ATOM 921 OG1 THR A 58 -8.526 4.367 -8.425 1.00 0.00 O ATOM 922 CG2 THR A 58 -10.901 4.778 -8.321 1.00 0.00 C ATOM 0 H THR A 58 -10.507 1.606 -7.480 1.00 0.00 H new ATOM 0 HA THR A 58 -11.040 2.444 -9.470 1.00 0.00 H new ATOM 0 HB THR A 58 -9.704 4.583 -10.100 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.825 3.801 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.725 5.849 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.840 4.610 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.958 4.331 -7.329 1.00 0.00 H new ATOM 930 N GLY A 59 -9.598 0.876 -10.905 1.00 0.00 N ATOM 931 CA GLY A 59 -8.948 0.218 -12.049 1.00 0.00 C ATOM 932 C GLY A 59 -9.965 -0.153 -13.150 1.00 0.00 C ATOM 933 O GLY A 59 -9.588 -0.390 -14.299 1.00 0.00 O ATOM 0 H GLY A 59 -10.392 0.362 -10.524 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.187 0.879 -12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.437 -0.682 -11.708 1.00 0.00 H new ATOM 937 N LEU A 60 -11.252 -0.215 -12.775 1.00 0.00 N ATOM 938 CA LEU A 60 -12.327 -0.573 -13.702 1.00 0.00 C ATOM 939 C LEU A 60 -12.404 0.412 -14.914 1.00 0.00 C ATOM 940 O LEU A 60 -12.501 -0.048 -16.057 1.00 0.00 O ATOM 941 CB LEU A 60 -13.688 -0.600 -12.937 1.00 0.00 C ATOM 942 CG LEU A 60 -14.783 -1.454 -13.669 1.00 0.00 C ATOM 943 CD1 LEU A 60 -15.124 -0.874 -15.054 1.00 0.00 C ATOM 944 CD2 LEU A 60 -14.330 -2.928 -13.804 1.00 0.00 C ATOM 0 H LEU A 60 -11.571 -0.019 -11.826 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.112 -1.563 -14.104 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.529 -1.003 -11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.051 0.421 -12.816 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.685 -1.417 -13.058 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.885 -1.492 -15.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.501 0.142 -14.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.228 -0.861 -15.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.104 -3.501 -14.314 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.406 -2.973 -14.380 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.161 -3.349 -12.813 1.00 0.00 H new ATOM 956 N PRO A 61 -12.399 1.757 -14.699 1.00 0.00 N ATOM 957 CA PRO A 61 -12.519 2.740 -15.830 1.00 0.00 C ATOM 958 C PRO A 61 -11.250 2.806 -16.701 1.00 0.00 C ATOM 959 O PRO A 61 -10.457 3.754 -16.612 1.00 0.00 O ATOM 960 CB PRO A 61 -12.795 4.074 -15.125 1.00 0.00 C ATOM 961 CG PRO A 61 -12.158 3.941 -13.785 1.00 0.00 C ATOM 962 CD PRO A 61 -12.283 2.470 -13.389 1.00 0.00 C ATOM 0 HA PRO A 61 -13.304 2.459 -16.532 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.372 4.910 -15.682 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.865 4.260 -15.036 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.112 4.246 -13.821 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.652 4.583 -13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.413 2.132 -12.825 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.157 2.298 -12.761 1.00 0.00 H new ATOM 970 N MET A 62 -11.079 1.786 -17.551 1.00 0.00 N ATOM 971 CA MET A 62 -9.926 1.713 -18.460 1.00 0.00 C ATOM 972 C MET A 62 -8.594 1.787 -17.692 1.00 0.00 C ATOM 973 O MET A 62 -7.573 2.224 -18.238 1.00 0.00 O ATOM 974 CB MET A 62 -9.998 2.852 -19.500 1.00 0.00 C ATOM 975 CG MET A 62 -11.276 2.720 -20.343 1.00 0.00 C ATOM 976 SD MET A 62 -11.215 1.196 -21.322 1.00 0.00 S ATOM 977 CE MET A 62 -9.968 1.743 -22.515 1.00 0.00 C ATOM 0 H MET A 62 -11.724 0.999 -17.629 1.00 0.00 H new ATOM 0 HA MET A 62 -9.966 0.751 -18.971 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.985 3.818 -18.994 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.122 2.819 -20.147 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.151 2.710 -19.693 1.00 0.00 H new ATOM 0 HG3 MET A 62 -11.378 3.582 -21.002 1.00 0.00 H new ATOM 0 HE1 MET A 62 -10.336 1.578 -23.528 1.00 0.00 H new ATOM 0 HE2 MET A 62 -9.767 2.804 -22.370 1.00 0.00 H new ATOM 0 HE3 MET A 62 -9.049 1.176 -22.367 1.00 0.00 H new ATOM 987 N GLU A 63 -8.608 1.342 -16.422 1.00 0.00 N ATOM 988 CA GLU A 63 -7.398 1.345 -15.578 1.00 0.00 C ATOM 989 C GLU A 63 -6.646 2.692 -15.699 1.00 0.00 C ATOM 990 O GLU A 63 -5.414 2.731 -15.837 1.00 0.00 O ATOM 991 CB GLU A 63 -6.471 0.153 -15.969 1.00 0.00 C ATOM 992 CG GLU A 63 -6.168 -0.739 -14.749 1.00 0.00 C ATOM 993 CD GLU A 63 -7.256 -1.794 -14.586 1.00 0.00 C ATOM 994 OE1 GLU A 63 -7.605 -2.415 -15.577 1.00 0.00 O ATOM 995 OE2 GLU A 63 -7.724 -1.966 -13.474 1.00 0.00 O ATOM 0 H GLU A 63 -9.440 0.977 -15.959 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.698 1.225 -14.537 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.948 -0.442 -16.748 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.538 0.535 -16.385 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.199 -1.222 -14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.106 -0.128 -13.849 1.00 0.00 H new ATOM 1002 N GLY A 64 -7.407 3.786 -15.652 1.00 0.00 N ATOM 1003 CA GLY A 64 -6.828 5.127 -15.762 1.00 0.00 C ATOM 1004 C GLY A 64 -5.843 5.389 -14.631 1.00 0.00 C ATOM 1005 O GLY A 64 -4.745 5.907 -14.860 1.00 0.00 O ATOM 0 H GLY A 64 -8.421 3.771 -15.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.322 5.231 -16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.622 5.873 -15.738 1.00 0.00 H new ATOM 1009 N TYR A 65 -6.235 5.008 -13.408 1.00 0.00 N ATOM 1010 CA TYR A 65 -5.377 5.182 -12.234 1.00 0.00 C ATOM 1011 C TYR A 65 -4.582 3.911 -11.940 1.00 0.00 C ATOM 1012 O TYR A 65 -3.383 3.974 -11.647 1.00 0.00 O ATOM 1013 CB TYR A 65 -6.220 5.561 -11.015 1.00 0.00 C ATOM 1014 CG TYR A 65 -6.844 6.922 -11.230 1.00 0.00 C ATOM 1015 CD1 TYR A 65 -8.112 7.030 -11.814 1.00 0.00 C ATOM 1016 CD2 TYR A 65 -6.153 8.077 -10.840 1.00 0.00 C ATOM 1017 CE1 TYR A 65 -8.689 8.292 -12.009 1.00 0.00 C ATOM 1018 CE2 TYR A 65 -6.729 9.338 -11.036 1.00 0.00 C ATOM 1019 CZ TYR A 65 -7.998 9.446 -11.620 1.00 0.00 C ATOM 1020 OH TYR A 65 -8.566 10.689 -11.811 1.00 0.00 O ATOM 0 H TYR A 65 -7.139 4.579 -13.209 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.672 5.985 -12.448 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.998 4.815 -10.853 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.598 5.573 -10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.646 6.140 -12.114 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.176 7.994 -10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.667 8.375 -12.460 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.195 10.228 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.954 11.382 -11.485 1.00 0.00 H new ATOM 1030 N GLY A 66 -5.266 2.761 -12.003 1.00 0.00 N ATOM 1031 CA GLY A 66 -4.636 1.468 -11.725 1.00 0.00 C ATOM 1032 C GLY A 66 -3.512 1.170 -12.709 1.00 0.00 C ATOM 1033 O GLY A 66 -2.448 0.687 -12.317 1.00 0.00 O ATOM 0 H GLY A 66 -6.255 2.702 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.241 1.466 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.386 0.678 -11.778 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.757 1.465 -13.987 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.766 1.232 -15.039 1.00 0.00 C ATOM 1039 C GLY A 67 -1.505 2.052 -14.794 1.00 0.00 C ATOM 1040 O GLY A 67 -0.387 1.571 -15.007 1.00 0.00 O ATOM 0 H GLY A 67 -4.634 1.866 -14.319 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.513 0.172 -15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.191 1.493 -16.008 1.00 0.00 H new ATOM 1044 N ARG A 68 -1.699 3.298 -14.353 1.00 0.00 N ATOM 1045 CA ARG A 68 -0.590 4.208 -14.081 1.00 0.00 C ATOM 1046 C ARG A 68 0.328 3.646 -12.985 1.00 0.00 C ATOM 1047 O ARG A 68 1.556 3.674 -13.125 1.00 0.00 O ATOM 1048 CB ARG A 68 -1.148 5.605 -13.707 1.00 0.00 C ATOM 1049 CG ARG A 68 -0.010 6.612 -13.364 1.00 0.00 C ATOM 1050 CD ARG A 68 0.149 6.739 -11.842 1.00 0.00 C ATOM 1051 NE ARG A 68 -1.102 7.244 -11.238 1.00 0.00 N ATOM 1052 CZ ARG A 68 -1.431 8.564 -11.200 1.00 0.00 C ATOM 1053 NH1 ARG A 68 -0.628 9.485 -11.703 1.00 0.00 N ATOM 1054 NH2 ARG A 68 -2.564 8.927 -10.662 1.00 0.00 N ATOM 0 H ARG A 68 -2.620 3.699 -14.177 1.00 0.00 H new ATOM 0 HA ARG A 68 0.020 4.311 -14.979 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.739 5.994 -14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.819 5.511 -12.853 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.927 6.277 -13.808 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.236 7.587 -13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.403 5.769 -11.413 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.972 7.415 -11.610 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.750 6.570 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.257 9.212 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.893 10.469 -11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.193 8.224 -10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.820 9.914 -10.629 1.00 0.00 H new ATOM 1068 N ALA A 69 -0.274 3.123 -11.903 1.00 0.00 N ATOM 1069 CA ALA A 69 0.497 2.542 -10.803 1.00 0.00 C ATOM 1070 C ALA A 69 0.236 1.039 -10.675 1.00 0.00 C ATOM 1071 O ALA A 69 -0.879 0.617 -10.360 1.00 0.00 O ATOM 1072 CB ALA A 69 0.151 3.244 -9.488 1.00 0.00 C ATOM 0 H ALA A 69 -1.285 3.093 -11.772 1.00 0.00 H new ATOM 0 HA ALA A 69 1.555 2.686 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.731 2.803 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.388 4.305 -9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.912 3.124 -9.281 1.00 0.00 H new ATOM 1078 N GLU A 70 1.290 0.245 -10.879 1.00 0.00 N ATOM 1079 CA GLU A 70 1.211 -1.214 -10.752 1.00 0.00 C ATOM 1080 C GLU A 70 2.143 -1.690 -9.650 1.00 0.00 C ATOM 1081 O GLU A 70 3.286 -1.232 -9.560 1.00 0.00 O ATOM 1082 CB GLU A 70 1.591 -1.890 -12.082 1.00 0.00 C ATOM 1083 CG GLU A 70 0.492 -1.662 -13.137 1.00 0.00 C ATOM 1084 CD GLU A 70 -0.819 -2.322 -12.701 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -0.765 -3.456 -12.252 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -1.851 -1.689 -12.829 1.00 0.00 O ATOM 0 H GLU A 70 2.215 0.590 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 70 0.186 -1.486 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.538 -1.489 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.736 -2.959 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.336 -0.593 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.810 -2.071 -14.096 1.00 0.00 H new ATOM 1093 N TRP A 71 1.646 -2.597 -8.799 1.00 0.00 N ATOM 1094 CA TRP A 71 2.445 -3.110 -7.683 1.00 0.00 C ATOM 1095 C TRP A 71 3.516 -4.081 -8.170 1.00 0.00 C ATOM 1096 O TRP A 71 3.222 -5.020 -8.919 1.00 0.00 O ATOM 1097 CB TRP A 71 1.543 -3.788 -6.624 1.00 0.00 C ATOM 1098 CG TRP A 71 0.785 -4.941 -7.231 1.00 0.00 C ATOM 1099 CD1 TRP A 71 1.210 -6.225 -7.244 1.00 0.00 C ATOM 1100 CD2 TRP A 71 -0.502 -4.930 -7.912 1.00 0.00 C ATOM 1101 NE1 TRP A 71 0.262 -7.003 -7.886 1.00 0.00 N ATOM 1102 CE2 TRP A 71 -0.811 -6.249 -8.316 1.00 0.00 C ATOM 1103 CE3 TRP A 71 -1.424 -3.911 -8.214 1.00 0.00 C ATOM 1104 CZ2 TRP A 71 -1.989 -6.550 -8.996 1.00 0.00 C ATOM 1105 CZ3 TRP A 71 -2.614 -4.212 -8.900 1.00 0.00 C ATOM 1106 CH2 TRP A 71 -2.894 -5.530 -9.289 1.00 0.00 C ATOM 0 H TRP A 71 0.705 -2.986 -8.862 1.00 0.00 H new ATOM 0 HA TRP A 71 2.945 -2.260 -7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.153 -4.144 -5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.842 -3.060 -6.216 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.137 -6.584 -6.823 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.346 -8.010 -8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.217 -2.893 -7.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.200 -7.566 -9.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.316 -3.424 -9.129 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.810 -5.755 -9.815 1.00 0.00 H new ATOM 1117 N MET A 72 4.753 -3.855 -7.721 1.00 0.00 N ATOM 1118 CA MET A 72 5.875 -4.716 -8.082 1.00 0.00 C ATOM 1119 C MET A 72 6.704 -5.053 -6.846 1.00 0.00 C ATOM 1120 O MET A 72 7.540 -4.253 -6.412 1.00 0.00 O ATOM 1121 CB MET A 72 6.753 -4.021 -9.130 1.00 0.00 C ATOM 1122 CG MET A 72 7.755 -5.022 -9.715 1.00 0.00 C ATOM 1123 SD MET A 72 6.870 -6.264 -10.691 1.00 0.00 S ATOM 1124 CE MET A 72 8.297 -7.300 -11.089 1.00 0.00 C ATOM 0 H MET A 72 5.000 -3.080 -7.105 1.00 0.00 H new ATOM 0 HA MET A 72 5.484 -5.642 -8.503 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.130 -3.610 -9.924 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.284 -3.184 -8.676 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.481 -4.502 -10.340 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.313 -5.505 -8.913 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.975 -8.144 -11.699 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.030 -6.712 -11.641 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.747 -7.669 -10.167 1.00 0.00 H new ATOM 1134 N GLU A 73 6.464 -6.241 -6.286 1.00 0.00 N ATOM 1135 CA GLU A 73 7.184 -6.697 -5.097 1.00 0.00 C ATOM 1136 C GLU A 73 8.630 -7.043 -5.446 1.00 0.00 C ATOM 1137 O GLU A 73 8.902 -7.605 -6.513 1.00 0.00 O ATOM 1138 CB GLU A 73 6.478 -7.914 -4.484 1.00 0.00 C ATOM 1139 CG GLU A 73 7.106 -8.256 -3.125 1.00 0.00 C ATOM 1140 CD GLU A 73 6.374 -9.436 -2.498 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.355 -10.489 -3.114 1.00 0.00 O ATOM 1142 OE2 GLU A 73 5.844 -9.270 -1.412 1.00 0.00 O ATOM 0 H GLU A 73 5.775 -6.905 -6.639 1.00 0.00 H new ATOM 0 HA GLU A 73 7.190 -5.890 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.416 -7.704 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.558 -8.768 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.161 -8.498 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.055 -7.392 -2.463 1.00 0.00 H new ATOM 1149 N ASP A 74 9.554 -6.692 -4.545 1.00 0.00 N ATOM 1150 CA ASP A 74 10.978 -6.952 -4.758 1.00 0.00 C ATOM 1151 C ASP A 74 11.324 -8.408 -4.440 1.00 0.00 C ATOM 1152 O ASP A 74 10.451 -9.191 -4.051 1.00 0.00 O ATOM 1153 CB ASP A 74 11.826 -6.000 -3.886 1.00 0.00 C ATOM 1154 CG ASP A 74 11.661 -6.300 -2.375 1.00 0.00 C ATOM 1155 OD1 ASP A 74 10.907 -7.204 -2.024 1.00 0.00 O ATOM 1156 OD2 ASP A 74 12.297 -5.614 -1.592 1.00 0.00 O ATOM 0 H ASP A 74 9.339 -6.228 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 74 11.205 -6.772 -5.809 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.876 -6.094 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.535 -4.969 -4.085 1.00 0.00 H new ATOM 1161 N SER A 75 12.602 -8.764 -4.620 1.00 0.00 N ATOM 1162 CA SER A 75 13.072 -10.135 -4.367 1.00 0.00 C ATOM 1163 C SER A 75 13.416 -10.373 -2.884 1.00 0.00 C ATOM 1164 O SER A 75 13.632 -11.520 -2.474 1.00 0.00 O ATOM 1165 CB SER A 75 14.293 -10.441 -5.233 1.00 0.00 C ATOM 1166 OG SER A 75 13.919 -10.399 -6.604 1.00 0.00 O ATOM 0 H SER A 75 13.329 -8.124 -4.939 1.00 0.00 H new ATOM 0 HA SER A 75 12.254 -10.807 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.083 -9.716 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.693 -11.424 -4.983 1.00 0.00 H new ATOM 0 HG SER A 75 14.701 -10.593 -7.162 1.00 0.00 H new ATOM 1172 N THR A 76 13.463 -9.291 -2.086 1.00 0.00 N ATOM 1173 CA THR A 76 13.779 -9.401 -0.660 1.00 0.00 C ATOM 1174 C THR A 76 12.691 -10.215 0.060 1.00 0.00 C ATOM 1175 O THR A 76 12.991 -11.029 0.941 1.00 0.00 O ATOM 1176 CB THR A 76 13.898 -7.987 -0.043 1.00 0.00 C ATOM 1177 OG1 THR A 76 14.907 -7.265 -0.735 1.00 0.00 O ATOM 1178 CG2 THR A 76 14.288 -8.078 1.442 1.00 0.00 C ATOM 0 H THR A 76 13.287 -8.339 -2.406 1.00 0.00 H new ATOM 0 HA THR A 76 14.731 -9.918 -0.540 1.00 0.00 H new ATOM 0 HB THR A 76 12.936 -7.483 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.988 -6.367 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.367 -7.074 1.860 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.526 -8.638 1.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 15.247 -8.587 1.536 1.00 0.00 H new ATOM 1186 N GLU A 77 11.434 -9.999 -0.340 1.00 0.00 N ATOM 1187 CA GLU A 77 10.295 -10.717 0.243 1.00 0.00 C ATOM 1188 C GLU A 77 10.303 -10.612 1.781 1.00 0.00 C ATOM 1189 O GLU A 77 9.918 -11.556 2.486 1.00 0.00 O ATOM 1190 CB GLU A 77 10.325 -12.201 -0.195 1.00 0.00 C ATOM 1191 CG GLU A 77 10.260 -12.309 -1.735 1.00 0.00 C ATOM 1192 CD GLU A 77 8.945 -11.724 -2.277 1.00 0.00 C ATOM 1193 OE1 GLU A 77 7.929 -11.871 -1.614 1.00 0.00 O ATOM 1194 OE2 GLU A 77 8.980 -11.142 -3.349 1.00 0.00 O ATOM 0 H GLU A 77 11.179 -9.331 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 77 9.376 -10.257 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.235 -12.677 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.485 -12.735 0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.105 -11.780 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.347 -13.354 -2.033 1.00 0.00 H new ATOM 1201 N GLU A 78 10.727 -9.447 2.288 1.00 0.00 N ATOM 1202 CA GLU A 78 10.777 -9.202 3.738 1.00 0.00 C ATOM 1203 C GLU A 78 9.706 -8.176 4.163 1.00 0.00 C ATOM 1204 O GLU A 78 9.897 -7.423 5.129 1.00 0.00 O ATOM 1205 CB GLU A 78 12.177 -8.704 4.146 1.00 0.00 C ATOM 1206 CG GLU A 78 13.147 -9.890 4.271 1.00 0.00 C ATOM 1207 CD GLU A 78 12.758 -10.769 5.458 1.00 0.00 C ATOM 1208 OE1 GLU A 78 11.994 -11.700 5.257 1.00 0.00 O ATOM 1209 OE2 GLU A 78 13.230 -10.497 6.550 1.00 0.00 O ATOM 0 H GLU A 78 11.040 -8.661 1.719 1.00 0.00 H new ATOM 0 HA GLU A 78 10.570 -10.143 4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.550 -7.997 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.119 -8.171 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.133 -10.479 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.166 -9.524 4.399 1.00 0.00 H new ATOM 1216 N GLY A 79 8.583 -8.157 3.432 1.00 0.00 N ATOM 1217 CA GLY A 79 7.486 -7.225 3.724 1.00 0.00 C ATOM 1218 C GLY A 79 7.687 -5.854 3.046 1.00 0.00 C ATOM 1219 O GLY A 79 6.949 -4.906 3.333 1.00 0.00 O ATOM 0 H GLY A 79 8.411 -8.773 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.544 -7.659 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.407 -7.087 4.802 1.00 0.00 H new ATOM 1223 N SER A 80 8.672 -5.764 2.133 1.00 0.00 N ATOM 1224 CA SER A 80 8.941 -4.519 1.415 1.00 0.00 C ATOM 1225 C SER A 80 7.962 -4.368 0.259 1.00 0.00 C ATOM 1226 O SER A 80 7.661 -5.341 -0.440 1.00 0.00 O ATOM 1227 CB SER A 80 10.373 -4.513 0.883 1.00 0.00 C ATOM 1228 OG SER A 80 10.589 -3.331 0.122 1.00 0.00 O ATOM 0 H SER A 80 9.288 -6.537 1.881 1.00 0.00 H new ATOM 0 HA SER A 80 8.818 -3.683 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.080 -4.560 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.547 -5.394 0.265 1.00 0.00 H new ATOM 0 HG SER A 80 11.508 -3.325 -0.219 1.00 0.00 H new ATOM 1234 N VAL A 81 7.431 -3.154 0.095 1.00 0.00 N ATOM 1235 CA VAL A 81 6.435 -2.879 -0.945 1.00 0.00 C ATOM 1236 C VAL A 81 6.961 -1.821 -1.920 1.00 0.00 C ATOM 1237 O VAL A 81 7.361 -0.728 -1.508 1.00 0.00 O ATOM 1238 CB VAL A 81 5.104 -2.397 -0.299 1.00 0.00 C ATOM 1239 CG1 VAL A 81 4.038 -2.154 -1.382 1.00 0.00 C ATOM 1240 CG2 VAL A 81 4.588 -3.450 0.696 1.00 0.00 C ATOM 0 H VAL A 81 7.673 -2.346 0.668 1.00 0.00 H new ATOM 0 HA VAL A 81 6.246 -3.799 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 81 5.297 -1.463 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.113 -1.817 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.392 -1.391 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.853 -3.081 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.656 -3.103 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.412 -4.390 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.330 -3.605 1.479 1.00 0.00 H new ATOM 1250 N ALA A 82 6.925 -2.151 -3.213 1.00 0.00 N ATOM 1251 CA ALA A 82 7.362 -1.233 -4.263 1.00 0.00 C ATOM 1252 C ALA A 82 6.239 -1.020 -5.275 1.00 0.00 C ATOM 1253 O ALA A 82 5.606 -1.980 -5.726 1.00 0.00 O ATOM 1254 CB ALA A 82 8.607 -1.788 -4.966 1.00 0.00 C ATOM 0 H ALA A 82 6.595 -3.053 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 82 7.613 -0.274 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.923 -1.096 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.411 -1.909 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.373 -2.755 -5.412 1.00 0.00 H new ATOM 1260 N LEU A 83 5.997 0.243 -5.620 1.00 0.00 N ATOM 1261 CA LEU A 83 4.955 0.610 -6.571 1.00 0.00 C ATOM 1262 C LEU A 83 5.580 1.228 -7.815 1.00 0.00 C ATOM 1263 O LEU A 83 6.329 2.207 -7.723 1.00 0.00 O ATOM 1264 CB LEU A 83 3.963 1.607 -5.912 1.00 0.00 C ATOM 1265 CG LEU A 83 2.821 2.006 -6.890 1.00 0.00 C ATOM 1266 CD1 LEU A 83 1.948 0.783 -7.232 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.951 3.086 -6.233 1.00 0.00 C ATOM 0 H LEU A 83 6.517 1.038 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 83 4.407 -0.286 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.535 1.157 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.501 2.501 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 83 3.261 2.388 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.155 1.082 -7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.564 0.017 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.507 0.384 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.148 3.370 -6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.523 2.696 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.563 3.960 -6.009 1.00 0.00 H new ATOM 1279 N LYS A 84 5.269 0.647 -8.969 1.00 0.00 N ATOM 1280 CA LYS A 84 5.794 1.125 -10.237 1.00 0.00 C ATOM 1281 C LYS A 84 4.825 2.127 -10.877 1.00 0.00 C ATOM 1282 O LYS A 84 3.666 1.804 -11.143 1.00 0.00 O ATOM 1283 CB LYS A 84 6.042 -0.070 -11.172 1.00 0.00 C ATOM 1284 CG LYS A 84 6.724 0.400 -12.471 1.00 0.00 C ATOM 1285 CD LYS A 84 7.076 -0.811 -13.352 1.00 0.00 C ATOM 1286 CE LYS A 84 5.799 -1.402 -13.972 1.00 0.00 C ATOM 1287 NZ LYS A 84 6.162 -2.533 -14.872 1.00 0.00 N ATOM 0 H LYS A 84 4.651 -0.161 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 84 6.739 1.640 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.668 -0.808 -10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.097 -0.560 -11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.063 1.075 -13.014 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.627 0.962 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.766 -0.509 -14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.585 -1.569 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.128 -1.749 -13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.265 -0.634 -14.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.299 -2.933 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.787 -2.188 -15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.654 -3.268 -14.325 1.00 0.00 H new ATOM 1301 N ILE A 85 5.325 3.341 -11.124 1.00 0.00 N ATOM 1302 CA ILE A 85 4.534 4.413 -11.735 1.00 0.00 C ATOM 1303 C ILE A 85 5.147 4.800 -13.089 1.00 0.00 C ATOM 1304 O ILE A 85 6.364 4.887 -13.213 1.00 0.00 O ATOM 1305 CB ILE A 85 4.473 5.636 -10.776 1.00 0.00 C ATOM 1306 CG1 ILE A 85 3.601 6.749 -11.388 1.00 0.00 C ATOM 1307 CG2 ILE A 85 5.890 6.176 -10.502 1.00 0.00 C ATOM 1308 CD1 ILE A 85 3.185 7.746 -10.298 1.00 0.00 C ATOM 0 H ILE A 85 6.285 3.608 -10.907 1.00 0.00 H new ATOM 0 HA ILE A 85 3.515 4.065 -11.907 1.00 0.00 H new ATOM 0 HB ILE A 85 4.030 5.313 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.153 7.265 -12.173 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.716 6.315 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.830 7.032 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.494 5.394 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.350 6.485 -11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.569 8.530 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.615 7.226 -9.528 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.075 8.191 -9.853 1.00 0.00 H new ATOM 1320 N ARG A 86 4.294 4.973 -14.108 1.00 0.00 N ATOM 1321 CA ARG A 86 4.771 5.279 -15.462 1.00 0.00 C ATOM 1322 C ARG A 86 4.711 6.779 -15.780 1.00 0.00 C ATOM 1323 O ARG A 86 3.830 7.496 -15.300 1.00 0.00 O ATOM 1324 CB ARG A 86 3.967 4.471 -16.502 1.00 0.00 C ATOM 1325 CG ARG A 86 2.477 4.843 -16.429 1.00 0.00 C ATOM 1326 CD ARG A 86 1.697 4.052 -17.482 1.00 0.00 C ATOM 1327 NE ARG A 86 1.746 2.608 -17.183 1.00 0.00 N ATOM 1328 CZ ARG A 86 1.267 1.658 -18.030 1.00 0.00 C ATOM 1329 NH1 ARG A 86 0.725 1.982 -19.188 1.00 0.00 N ATOM 1330 NH2 ARG A 86 1.348 0.401 -17.692 1.00 0.00 N ATOM 0 H ARG A 86 3.280 4.907 -14.021 1.00 0.00 H new ATOM 0 HA ARG A 86 5.820 4.988 -15.511 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.350 4.670 -17.503 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.092 3.404 -16.319 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.086 4.627 -15.435 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.350 5.913 -16.596 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.661 4.390 -17.506 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.116 4.239 -18.471 1.00 0.00 H new ATOM 0 HE ARG A 86 2.158 2.308 -16.300 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.659 2.962 -19.464 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.372 1.253 -19.808 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.767 0.139 -16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.992 -0.320 -18.320 1.00 0.00 H new ATOM 1344 N GLN A 87 5.633 7.220 -16.646 1.00 0.00 N ATOM 1345 CA GLN A 87 5.683 8.612 -17.105 1.00 0.00 C ATOM 1346 C GLN A 87 5.786 9.610 -15.936 1.00 0.00 C ATOM 1347 O GLN A 87 4.963 10.529 -15.799 1.00 0.00 O ATOM 1348 CB GLN A 87 4.465 8.918 -17.999 1.00 0.00 C ATOM 1349 CG GLN A 87 4.620 8.184 -19.337 1.00 0.00 C ATOM 1350 CD GLN A 87 4.366 6.691 -19.148 1.00 0.00 C ATOM 1351 OE1 GLN A 87 3.277 6.297 -18.731 1.00 0.00 O ATOM 1352 NE2 GLN A 87 5.323 5.833 -19.396 1.00 0.00 N ATOM 0 H GLN A 87 6.360 6.626 -17.045 1.00 0.00 H new ATOM 0 HA GLN A 87 6.591 8.735 -17.695 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.547 8.603 -17.503 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.384 9.992 -18.168 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.920 8.590 -20.067 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.623 8.343 -19.734 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.225 6.161 -19.742 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.167 4.837 -19.244 1.00 0.00 H new ATOM 1361 N VAL A 88 6.827 9.434 -15.115 1.00 0.00 N ATOM 1362 CA VAL A 88 7.078 10.322 -13.978 1.00 0.00 C ATOM 1363 C VAL A 88 7.212 11.782 -14.443 1.00 0.00 C ATOM 1364 O VAL A 88 7.497 12.042 -15.615 1.00 0.00 O ATOM 1365 CB VAL A 88 8.349 9.865 -13.215 1.00 0.00 C ATOM 1366 CG1 VAL A 88 9.629 10.058 -14.082 1.00 0.00 C ATOM 1367 CG2 VAL A 88 8.473 10.661 -11.908 1.00 0.00 C ATOM 0 H VAL A 88 7.509 8.683 -15.218 1.00 0.00 H new ATOM 0 HA VAL A 88 6.227 10.266 -13.299 1.00 0.00 H new ATOM 0 HB VAL A 88 8.255 8.802 -12.991 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.503 9.729 -13.519 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.542 9.469 -14.995 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.739 11.112 -14.339 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.366 10.341 -11.370 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.548 11.724 -12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.594 10.483 -11.289 1.00 0.00 H new ATOM 1377 N GLN A 89 6.987 12.718 -13.517 1.00 0.00 N ATOM 1378 CA GLN A 89 7.065 14.162 -13.832 1.00 0.00 C ATOM 1379 C GLN A 89 7.492 15.023 -12.599 1.00 0.00 C ATOM 1380 O GLN A 89 7.568 14.507 -11.467 1.00 0.00 O ATOM 1381 CB GLN A 89 5.748 14.732 -14.505 1.00 0.00 C ATOM 1382 CG GLN A 89 4.501 13.828 -14.292 1.00 0.00 C ATOM 1383 CD GLN A 89 3.899 14.064 -12.921 1.00 0.00 C ATOM 1384 OE1 GLN A 89 2.751 14.495 -12.813 1.00 0.00 O ATOM 1385 NE2 GLN A 89 4.612 13.830 -11.864 1.00 0.00 N ATOM 0 H GLN A 89 6.750 12.512 -12.547 1.00 0.00 H new ATOM 0 HA GLN A 89 7.855 14.246 -14.578 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.542 15.723 -14.100 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.920 14.854 -15.574 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.758 14.036 -15.062 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.783 12.780 -14.396 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.563 13.473 -11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.222 14.003 -10.937 1.00 0.00 H new ATOM 1394 N PRO A 90 7.828 16.324 -12.803 1.00 0.00 N ATOM 1395 CA PRO A 90 8.307 17.217 -11.690 1.00 0.00 C ATOM 1396 C PRO A 90 7.385 17.195 -10.474 1.00 0.00 C ATOM 1397 O PRO A 90 7.865 17.231 -9.334 1.00 0.00 O ATOM 1398 CB PRO A 90 8.321 18.606 -12.332 1.00 0.00 C ATOM 1399 CG PRO A 90 8.577 18.342 -13.774 1.00 0.00 C ATOM 1400 CD PRO A 90 7.796 17.075 -14.098 1.00 0.00 C ATOM 0 HA PRO A 90 9.276 16.899 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.372 19.122 -12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.098 19.237 -11.899 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.245 19.177 -14.391 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.641 18.207 -13.966 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.776 17.298 -14.411 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.261 16.509 -14.905 1.00 0.00 H new ATOM 1408 N SER A 91 6.065 17.125 -10.712 1.00 0.00 N ATOM 1409 CA SER A 91 5.104 17.083 -9.605 1.00 0.00 C ATOM 1410 C SER A 91 5.339 15.839 -8.737 1.00 0.00 C ATOM 1411 O SER A 91 5.173 15.890 -7.515 1.00 0.00 O ATOM 1412 CB SER A 91 3.664 17.112 -10.127 1.00 0.00 C ATOM 1413 OG SER A 91 3.406 15.937 -10.872 1.00 0.00 O ATOM 0 H SER A 91 5.648 17.097 -11.642 1.00 0.00 H new ATOM 0 HA SER A 91 5.257 17.969 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.966 17.187 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.510 17.992 -10.752 1.00 0.00 H new ATOM 0 HG SER A 91 2.962 16.174 -11.713 1.00 0.00 H new ATOM 1419 N ASP A 92 5.809 14.743 -9.372 1.00 0.00 N ATOM 1420 CA ASP A 92 6.159 13.518 -8.641 1.00 0.00 C ATOM 1421 C ASP A 92 7.335 13.785 -7.710 1.00 0.00 C ATOM 1422 O ASP A 92 7.406 13.239 -6.606 1.00 0.00 O ATOM 1423 CB ASP A 92 6.533 12.384 -9.616 1.00 0.00 C ATOM 1424 CG ASP A 92 6.646 11.030 -8.879 1.00 0.00 C ATOM 1425 OD1 ASP A 92 6.914 11.031 -7.684 1.00 0.00 O ATOM 1426 OD2 ASP A 92 6.455 10.014 -9.527 1.00 0.00 O ATOM 0 H ASP A 92 5.952 14.687 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 92 5.289 13.211 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.780 12.312 -10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.480 12.617 -10.103 1.00 0.00 H new ATOM 1431 N ASP A 93 8.269 14.636 -8.175 1.00 0.00 N ATOM 1432 CA ASP A 93 9.466 14.981 -7.394 1.00 0.00 C ATOM 1433 C ASP A 93 9.088 15.383 -5.975 1.00 0.00 C ATOM 1434 O ASP A 93 8.241 16.262 -5.775 1.00 0.00 O ATOM 1435 CB ASP A 93 10.200 16.144 -8.057 1.00 0.00 C ATOM 1436 CG ASP A 93 11.599 16.284 -7.466 1.00 0.00 C ATOM 1437 OD1 ASP A 93 11.742 17.014 -6.499 1.00 0.00 O ATOM 1438 OD2 ASP A 93 12.506 15.655 -7.986 1.00 0.00 O ATOM 0 H ASP A 93 8.216 15.094 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 93 10.111 14.103 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.266 15.978 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.641 17.068 -7.911 1.00 0.00 H new ATOM 1443 N GLY A 94 9.721 14.733 -4.990 1.00 0.00 N ATOM 1444 CA GLY A 94 9.448 15.022 -3.588 1.00 0.00 C ATOM 1445 C GLY A 94 9.548 13.768 -2.725 1.00 0.00 C ATOM 1446 O GLY A 94 10.298 12.828 -3.042 1.00 0.00 O ATOM 0 H GLY A 94 10.422 14.008 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.153 15.770 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.451 15.451 -3.492 1.00 0.00 H new ATOM 1450 N GLN A 95 8.811 13.783 -1.614 1.00 0.00 N ATOM 1451 CA GLN A 95 8.812 12.671 -0.664 1.00 0.00 C ATOM 1452 C GLN A 95 7.439 11.997 -0.638 1.00 0.00 C ATOM 1453 O GLN A 95 6.411 12.677 -0.785 1.00 0.00 O ATOM 1454 CB GLN A 95 9.127 13.193 0.760 1.00 0.00 C ATOM 1455 CG GLN A 95 10.471 13.953 0.792 1.00 0.00 C ATOM 1456 CD GLN A 95 11.616 13.048 0.360 1.00 0.00 C ATOM 1457 OE1 GLN A 95 11.847 12.010 0.976 1.00 0.00 O ATOM 1458 NE2 GLN A 95 12.343 13.385 -0.673 1.00 0.00 N ATOM 0 H GLN A 95 8.203 14.558 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 95 9.571 11.954 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.326 13.852 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.163 12.356 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.419 14.820 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.658 14.328 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.143 14.249 -1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.110 12.784 -0.975 1.00 0.00 H new ATOM 1467 N TYR A 96 7.415 10.675 -0.360 1.00 0.00 N ATOM 1468 CA TYR A 96 6.140 9.961 -0.200 1.00 0.00 C ATOM 1469 C TYR A 96 6.087 9.271 1.155 1.00 0.00 C ATOM 1470 O TYR A 96 7.000 8.512 1.508 1.00 0.00 O ATOM 1471 CB TYR A 96 5.850 8.957 -1.397 1.00 0.00 C ATOM 1472 CG TYR A 96 6.176 7.486 -1.085 1.00 0.00 C ATOM 1473 CD1 TYR A 96 5.294 6.738 -0.290 1.00 0.00 C ATOM 1474 CD2 TYR A 96 7.317 6.886 -1.606 1.00 0.00 C ATOM 1475 CE1 TYR A 96 5.559 5.398 -0.019 1.00 0.00 C ATOM 1476 CE2 TYR A 96 7.587 5.538 -1.331 1.00 0.00 C ATOM 1477 CZ TYR A 96 6.703 4.796 -0.537 1.00 0.00 C ATOM 1478 OH TYR A 96 6.956 3.472 -0.273 1.00 0.00 O ATOM 0 H TYR A 96 8.247 10.096 -0.245 1.00 0.00 H new ATOM 0 HA TYR A 96 5.339 10.700 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.798 9.033 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.430 9.269 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.407 7.203 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.995 7.458 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.877 4.826 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.476 5.072 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 96 6.298 3.135 0.370 1.00 0.00 H new ATOM 1488 N TRP A 97 4.999 9.498 1.885 1.00 0.00 N ATOM 1489 CA TRP A 97 4.809 8.864 3.162 1.00 0.00 C ATOM 1490 C TRP A 97 4.137 7.520 2.978 1.00 0.00 C ATOM 1491 O TRP A 97 3.017 7.438 2.461 1.00 0.00 O ATOM 1492 CB TRP A 97 3.969 9.761 4.108 1.00 0.00 C ATOM 1493 CG TRP A 97 4.743 11.000 4.590 1.00 0.00 C ATOM 1494 CD1 TRP A 97 5.888 11.523 4.041 1.00 0.00 C ATOM 1495 CD2 TRP A 97 4.418 11.867 5.718 1.00 0.00 C ATOM 1496 NE1 TRP A 97 6.265 12.635 4.765 1.00 0.00 N ATOM 1497 CE2 TRP A 97 5.394 12.890 5.807 1.00 0.00 C ATOM 1498 CE3 TRP A 97 3.378 11.862 6.667 1.00 0.00 C ATOM 1499 CZ2 TRP A 97 5.341 13.869 6.797 1.00 0.00 C ATOM 1500 CZ3 TRP A 97 3.322 12.849 7.667 1.00 0.00 C ATOM 1501 CH2 TRP A 97 4.303 13.850 7.730 1.00 0.00 C ATOM 0 H TRP A 97 4.241 10.119 1.603 1.00 0.00 H new ATOM 0 HA TRP A 97 5.787 8.713 3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.064 10.081 3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.653 9.176 4.972 1.00 0.00 H new ATOM 0 HD1 TRP A 97 6.409 11.128 3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 97 7.088 13.201 4.556 1.00 0.00 H new ATOM 0 HE3 TRP A 97 2.618 11.095 6.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 6.098 14.638 6.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.520 12.836 8.390 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.255 14.606 8.500 1.00 0.00 H new ATOM 1512 N CYS A 98 4.828 6.472 3.415 1.00 0.00 N ATOM 1513 CA CYS A 98 4.315 5.120 3.316 1.00 0.00 C ATOM 1514 C CYS A 98 3.441 4.833 4.517 1.00 0.00 C ATOM 1515 O CYS A 98 3.908 4.916 5.665 1.00 0.00 O ATOM 1516 CB CYS A 98 5.484 4.127 3.250 1.00 0.00 C ATOM 1517 SG CYS A 98 4.858 2.429 3.131 1.00 0.00 S ATOM 0 H CYS A 98 5.751 6.540 3.843 1.00 0.00 H new ATOM 0 HA CYS A 98 3.720 5.013 2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 98 6.113 4.352 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 98 6.109 4.231 4.137 1.00 0.00 H new ATOM 1522 N ARG A 99 2.150 4.555 4.263 1.00 0.00 N ATOM 1523 CA ARG A 99 1.202 4.308 5.355 1.00 0.00 C ATOM 1524 C ARG A 99 0.693 2.881 5.347 1.00 0.00 C ATOM 1525 O ARG A 99 0.212 2.385 4.329 1.00 0.00 O ATOM 1526 CB ARG A 99 0.005 5.292 5.288 1.00 0.00 C ATOM 1527 CG ARG A 99 0.403 6.656 5.911 1.00 0.00 C ATOM 1528 CD ARG A 99 -0.794 7.317 6.624 1.00 0.00 C ATOM 1529 NE ARG A 99 -1.633 8.078 5.675 1.00 0.00 N ATOM 1530 CZ ARG A 99 -2.625 8.924 6.085 1.00 0.00 C ATOM 1531 NH1 ARG A 99 -2.891 9.098 7.367 1.00 0.00 N ATOM 1532 NH2 ARG A 99 -3.318 9.584 5.199 1.00 0.00 N ATOM 0 H ARG A 99 1.748 4.497 3.327 1.00 0.00 H new ATOM 0 HA ARG A 99 1.744 4.471 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.303 5.432 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.849 4.875 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.217 6.510 6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.776 7.320 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.397 6.551 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.431 7.983 7.406 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.465 7.968 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.352 8.596 8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.636 9.734 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.119 9.467 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.059 10.217 5.500 1.00 0.00 H new ATOM 1546 N PHE A 100 0.754 2.253 6.520 1.00 0.00 N ATOM 1547 CA PHE A 100 0.248 0.897 6.708 1.00 0.00 C ATOM 1548 C PHE A 100 -0.947 0.959 7.649 1.00 0.00 C ATOM 1549 O PHE A 100 -0.819 1.414 8.794 1.00 0.00 O ATOM 1550 CB PHE A 100 1.359 -0.004 7.292 1.00 0.00 C ATOM 1551 CG PHE A 100 0.867 -1.435 7.430 1.00 0.00 C ATOM 1552 CD1 PHE A 100 0.840 -2.275 6.310 1.00 0.00 C ATOM 1553 CD2 PHE A 100 0.445 -1.915 8.676 1.00 0.00 C ATOM 1554 CE1 PHE A 100 0.391 -3.596 6.438 1.00 0.00 C ATOM 1555 CE2 PHE A 100 -0.004 -3.234 8.802 1.00 0.00 C ATOM 1556 CZ PHE A 100 -0.031 -4.075 7.683 1.00 0.00 C ATOM 0 H PHE A 100 1.153 2.668 7.362 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.061 0.471 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.236 0.024 6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 100 1.669 0.376 8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.165 -1.905 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.466 -1.267 9.540 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.371 -4.245 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.330 -3.604 9.763 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.377 -5.093 7.781 1.00 0.00 H new ATOM 1566 N GLN A 101 -2.124 0.572 7.140 1.00 0.00 N ATOM 1567 CA GLN A 101 -3.357 0.666 7.917 1.00 0.00 C ATOM 1568 C GLN A 101 -3.925 -0.712 8.252 1.00 0.00 C ATOM 1569 O GLN A 101 -4.198 -1.528 7.361 1.00 0.00 O ATOM 1570 CB GLN A 101 -4.398 1.499 7.147 1.00 0.00 C ATOM 1571 CG GLN A 101 -5.645 1.737 8.015 1.00 0.00 C ATOM 1572 CD GLN A 101 -6.679 2.539 7.231 1.00 0.00 C ATOM 1573 OE1 GLN A 101 -7.104 2.120 6.155 1.00 0.00 O ATOM 1574 NE2 GLN A 101 -7.114 3.672 7.710 1.00 0.00 N ATOM 0 H GLN A 101 -2.244 0.194 6.200 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.121 1.159 8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.963 2.455 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.679 0.982 6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.071 0.782 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.369 2.272 8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.761 4.018 8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.807 4.212 7.192 1.00 0.00 H new ATOM 1583 N GLU A 102 -4.163 -0.917 9.544 1.00 0.00 N ATOM 1584 CA GLU A 102 -4.776 -2.129 10.055 1.00 0.00 C ATOM 1585 C GLU A 102 -5.751 -1.749 11.161 1.00 0.00 C ATOM 1586 O GLU A 102 -5.371 -1.051 12.111 1.00 0.00 O ATOM 1587 CB GLU A 102 -3.701 -3.079 10.602 1.00 0.00 C ATOM 1588 CG GLU A 102 -4.327 -4.440 10.954 1.00 0.00 C ATOM 1589 CD GLU A 102 -4.844 -5.136 9.694 1.00 0.00 C ATOM 1590 OE1 GLU A 102 -5.998 -4.926 9.356 1.00 0.00 O ATOM 1591 OE2 GLU A 102 -4.080 -5.866 9.089 1.00 0.00 O ATOM 0 H GLU A 102 -3.932 -0.237 10.269 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.306 -2.641 9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.913 -3.213 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.236 -2.644 11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.587 -5.070 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.145 -4.298 11.660 1.00 0.00 H new ATOM 1598 N GLY A 103 -7.013 -2.158 11.011 1.00 0.00 N ATOM 1599 CA GLY A 103 -8.046 -1.796 11.981 1.00 0.00 C ATOM 1600 C GLY A 103 -8.173 -0.273 12.066 1.00 0.00 C ATOM 1601 O GLY A 103 -8.273 0.406 11.038 1.00 0.00 O ATOM 0 H GLY A 103 -7.341 -2.734 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.001 -2.233 11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.796 -2.204 12.960 1.00 0.00 H new ATOM 1605 N ASP A 104 -8.154 0.257 13.293 1.00 0.00 N ATOM 1606 CA ASP A 104 -8.251 1.710 13.517 1.00 0.00 C ATOM 1607 C ASP A 104 -6.879 2.349 13.831 1.00 0.00 C ATOM 1608 O ASP A 104 -6.817 3.502 14.269 1.00 0.00 O ATOM 1609 CB ASP A 104 -9.231 2.004 14.656 1.00 0.00 C ATOM 1610 CG ASP A 104 -10.617 1.472 14.307 1.00 0.00 C ATOM 1611 OD1 ASP A 104 -11.062 1.714 13.195 1.00 0.00 O ATOM 1612 OD2 ASP A 104 -11.214 0.830 15.155 1.00 0.00 O ATOM 0 H ASP A 104 -8.073 -0.294 14.147 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.616 2.154 12.591 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.878 1.542 15.578 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.280 3.078 14.836 1.00 0.00 H new ATOM 1617 N TYR A 105 -5.789 1.582 13.638 1.00 0.00 N ATOM 1618 CA TYR A 105 -4.434 2.066 13.939 1.00 0.00 C ATOM 1619 C TYR A 105 -3.515 1.917 12.711 1.00 0.00 C ATOM 1620 O TYR A 105 -3.531 0.884 12.036 1.00 0.00 O ATOM 1621 CB TYR A 105 -3.861 1.280 15.144 1.00 0.00 C ATOM 1622 CG TYR A 105 -2.474 1.790 15.511 1.00 0.00 C ATOM 1623 CD1 TYR A 105 -2.335 2.968 16.255 1.00 0.00 C ATOM 1624 CD2 TYR A 105 -1.335 1.081 15.107 1.00 0.00 C ATOM 1625 CE1 TYR A 105 -1.060 3.436 16.594 1.00 0.00 C ATOM 1626 CE2 TYR A 105 -0.061 1.549 15.445 1.00 0.00 C ATOM 1627 CZ TYR A 105 0.076 2.728 16.189 1.00 0.00 C ATOM 1628 OH TYR A 105 1.333 3.190 16.523 1.00 0.00 O ATOM 0 H TYR A 105 -5.823 0.629 13.276 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.485 3.125 14.193 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.529 1.380 16.000 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.811 0.219 14.901 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.212 3.516 16.567 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.441 0.172 14.534 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.954 4.344 17.169 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.816 1.002 15.133 1.00 0.00 H new ATOM 0 HH TYR A 105 1.818 2.494 17.014 1.00 0.00 H new ATOM 1638 N TRP A 106 -2.703 2.959 12.448 1.00 0.00 N ATOM 1639 CA TRP A 106 -1.764 2.937 11.321 1.00 0.00 C ATOM 1640 C TRP A 106 -0.466 3.679 11.667 1.00 0.00 C ATOM 1641 O TRP A 106 -0.441 4.520 12.570 1.00 0.00 O ATOM 1642 CB TRP A 106 -2.418 3.551 10.055 1.00 0.00 C ATOM 1643 CG TRP A 106 -2.786 4.991 10.285 1.00 0.00 C ATOM 1644 CD1 TRP A 106 -2.009 6.051 9.958 1.00 0.00 C ATOM 1645 CD2 TRP A 106 -3.994 5.540 10.888 1.00 0.00 C ATOM 1646 NE1 TRP A 106 -2.667 7.215 10.313 1.00 0.00 N ATOM 1647 CE2 TRP A 106 -3.894 6.951 10.893 1.00 0.00 C ATOM 1648 CE3 TRP A 106 -5.157 4.956 11.423 1.00 0.00 C ATOM 1649 CZ2 TRP A 106 -4.910 7.754 11.410 1.00 0.00 C ATOM 1650 CZ3 TRP A 106 -6.183 5.764 11.946 1.00 0.00 C ATOM 1651 CH2 TRP A 106 -6.057 7.161 11.938 1.00 0.00 C ATOM 0 H TRP A 106 -2.681 3.818 12.998 1.00 0.00 H new ATOM 0 HA TRP A 106 -1.513 1.897 11.114 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -1.729 3.478 9.213 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.309 2.982 9.789 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -1.035 5.996 9.495 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -2.293 8.152 10.165 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -5.263 3.881 11.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -4.809 8.829 11.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -7.072 5.307 12.355 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.847 7.777 12.340 1.00 0.00 H new ATOM 1662 N ARG A 107 0.601 3.364 10.927 1.00 0.00 N ATOM 1663 CA ARG A 107 1.908 3.995 11.126 1.00 0.00 C ATOM 1664 C ARG A 107 2.420 4.559 9.799 1.00 0.00 C ATOM 1665 O ARG A 107 2.137 4.000 8.732 1.00 0.00 O ATOM 1666 CB ARG A 107 2.917 2.983 11.739 1.00 0.00 C ATOM 1667 CG ARG A 107 4.314 3.636 11.936 1.00 0.00 C ATOM 1668 CD ARG A 107 4.246 4.762 12.985 1.00 0.00 C ATOM 1669 NE ARG A 107 5.583 5.348 13.197 1.00 0.00 N ATOM 1670 CZ ARG A 107 5.794 6.468 13.936 1.00 0.00 C ATOM 1671 NH1 ARG A 107 4.794 7.106 14.516 1.00 0.00 N ATOM 1672 NH2 ARG A 107 7.010 6.922 14.073 1.00 0.00 N ATOM 0 H ARG A 107 0.584 2.670 10.179 1.00 0.00 H new ATOM 0 HA ARG A 107 1.802 4.820 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.541 2.625 12.697 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.007 2.114 11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.033 2.880 12.253 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.670 4.037 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.552 5.534 12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.861 4.369 13.926 1.00 0.00 H new ATOM 0 HE ARG A 107 6.387 4.890 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.840 6.760 14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.975 7.945 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.789 6.437 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.181 7.762 14.625 1.00 0.00 H new ATOM 1686 N GLU A 108 3.091 5.720 9.866 1.00 0.00 N ATOM 1687 CA GLU A 108 3.539 6.415 8.656 1.00 0.00 C ATOM 1688 C GLU A 108 5.026 6.812 8.708 1.00 0.00 C ATOM 1689 O GLU A 108 5.598 6.998 9.775 1.00 0.00 O ATOM 1690 CB GLU A 108 2.660 7.660 8.439 1.00 0.00 C ATOM 1691 CG GLU A 108 2.831 8.660 9.612 1.00 0.00 C ATOM 1692 CD GLU A 108 1.894 9.883 9.460 1.00 0.00 C ATOM 1693 OE1 GLU A 108 1.159 9.952 8.479 1.00 0.00 O ATOM 1694 OE2 GLU A 108 1.932 10.732 10.335 1.00 0.00 O ATOM 0 H GLU A 108 3.332 6.191 10.738 1.00 0.00 H new ATOM 0 HA GLU A 108 3.435 5.725 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.930 8.143 7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.614 7.364 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.621 8.155 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.867 8.998 9.655 1.00 0.00 H new ATOM 1701 N THR A 109 5.618 6.950 7.521 1.00 0.00 N ATOM 1702 CA THR A 109 7.026 7.341 7.367 1.00 0.00 C ATOM 1703 C THR A 109 7.176 8.257 6.124 1.00 0.00 C ATOM 1704 O THR A 109 6.196 8.832 5.682 1.00 0.00 O ATOM 1705 CB THR A 109 7.930 6.079 7.265 1.00 0.00 C ATOM 1706 OG1 THR A 109 9.294 6.473 7.253 1.00 0.00 O ATOM 1707 CG2 THR A 109 7.611 5.295 5.987 1.00 0.00 C ATOM 0 H THR A 109 5.136 6.794 6.635 1.00 0.00 H new ATOM 0 HA THR A 109 7.349 7.902 8.244 1.00 0.00 H new ATOM 0 HB THR A 109 7.740 5.439 8.126 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.718 6.209 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.252 4.415 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.567 4.983 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 109 7.787 5.929 5.118 1.00 0.00 H new ATOM 1715 N SER A 110 8.405 8.373 5.578 1.00 0.00 N ATOM 1716 CA SER A 110 8.664 9.163 4.368 1.00 0.00 C ATOM 1717 C SER A 110 9.796 8.515 3.561 1.00 0.00 C ATOM 1718 O SER A 110 10.651 7.838 4.126 1.00 0.00 O ATOM 1719 CB SER A 110 9.030 10.600 4.730 1.00 0.00 C ATOM 1720 OG SER A 110 10.282 10.612 5.405 1.00 0.00 O ATOM 0 H SER A 110 9.235 7.924 5.964 1.00 0.00 H new ATOM 0 HA SER A 110 7.758 9.185 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.084 11.211 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.258 11.035 5.365 1.00 0.00 H new ATOM 0 HG SER A 110 10.520 11.534 5.637 1.00 0.00 H new ATOM 1726 N VAL A 111 9.769 8.697 2.236 1.00 0.00 N ATOM 1727 CA VAL A 111 10.766 8.074 1.338 1.00 0.00 C ATOM 1728 C VAL A 111 11.356 9.112 0.377 1.00 0.00 C ATOM 1729 O VAL A 111 10.661 10.047 -0.043 1.00 0.00 O ATOM 1730 CB VAL A 111 10.127 6.901 0.554 1.00 0.00 C ATOM 1731 CG1 VAL A 111 11.166 6.226 -0.362 1.00 0.00 C ATOM 1732 CG2 VAL A 111 9.573 5.857 1.538 1.00 0.00 C ATOM 0 H VAL A 111 9.073 9.268 1.756 1.00 0.00 H new ATOM 0 HA VAL A 111 11.579 7.679 1.948 1.00 0.00 H new ATOM 0 HB VAL A 111 9.319 7.301 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.695 5.405 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 111 11.552 6.956 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.987 5.839 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.125 5.034 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.384 5.476 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.817 6.320 2.172 1.00 0.00 H new ATOM 1742 N LEU A 112 12.652 8.950 0.058 1.00 0.00 N ATOM 1743 CA LEU A 112 13.361 9.896 -0.821 1.00 0.00 C ATOM 1744 C LEU A 112 13.160 9.538 -2.301 1.00 0.00 C ATOM 1745 O LEU A 112 13.612 8.484 -2.756 1.00 0.00 O ATOM 1746 CB LEU A 112 14.868 9.848 -0.509 1.00 0.00 C ATOM 1747 CG LEU A 112 15.151 10.358 0.916 1.00 0.00 C ATOM 1748 CD1 LEU A 112 16.583 9.974 1.313 1.00 0.00 C ATOM 1749 CD2 LEU A 112 15.030 11.888 0.955 1.00 0.00 C ATOM 0 H LEU A 112 13.227 8.177 0.394 1.00 0.00 H new ATOM 0 HA LEU A 112 12.958 10.893 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.232 8.826 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 112 15.413 10.456 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 112 14.432 9.913 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 112 16.790 10.333 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.690 8.890 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 112 17.288 10.427 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 112 15.231 12.243 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 112 15.751 12.328 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.022 12.181 0.661 1.00 0.00 H new ATOM 1761 N LEU A 113 12.514 10.448 -3.062 1.00 0.00 N ATOM 1762 CA LEU A 113 12.337 10.249 -4.510 1.00 0.00 C ATOM 1763 C LEU A 113 12.678 11.529 -5.266 1.00 0.00 C ATOM 1764 O LEU A 113 12.135 12.597 -4.971 1.00 0.00 O ATOM 1765 CB LEU A 113 10.901 9.829 -4.838 1.00 0.00 C ATOM 1766 CG LEU A 113 10.534 8.528 -4.104 1.00 0.00 C ATOM 1767 CD1 LEU A 113 9.023 8.301 -4.229 1.00 0.00 C ATOM 1768 CD2 LEU A 113 11.282 7.336 -4.744 1.00 0.00 C ATOM 0 H LEU A 113 12.113 11.314 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 113 13.013 9.452 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.210 10.622 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.795 9.688 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 113 10.818 8.607 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.749 7.381 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.491 9.140 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.753 8.220 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.018 6.417 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.999 7.250 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.357 7.500 -4.671 1.00 0.00 H new ATOM 1780 N GLN A 114 13.554 11.405 -6.255 1.00 0.00 N ATOM 1781 CA GLN A 114 13.959 12.538 -7.092 1.00 0.00 C ATOM 1782 C GLN A 114 13.816 12.179 -8.560 1.00 0.00 C ATOM 1783 O GLN A 114 14.025 11.032 -8.931 1.00 0.00 O ATOM 1784 CB GLN A 114 15.415 12.943 -6.789 1.00 0.00 C ATOM 1785 CG GLN A 114 15.556 13.368 -5.313 1.00 0.00 C ATOM 1786 CD GLN A 114 14.690 14.600 -5.020 1.00 0.00 C ATOM 1787 OE1 GLN A 114 14.876 15.650 -5.634 1.00 0.00 O ATOM 1788 NE2 GLN A 114 13.747 14.524 -4.122 1.00 0.00 N ATOM 0 H GLN A 114 14.004 10.524 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 114 13.309 13.383 -6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 114 16.083 12.108 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 114 15.715 13.763 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 114 15.259 12.545 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 114 16.600 13.590 -5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.595 13.652 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.162 15.336 -3.927 1.00 0.00 H new ATOM 1797 N VAL A 115 13.427 13.153 -9.395 1.00 0.00 N ATOM 1798 CA VAL A 115 13.271 12.893 -10.836 1.00 0.00 C ATOM 1799 C VAL A 115 14.187 13.804 -11.655 1.00 0.00 C ATOM 1800 O VAL A 115 14.228 15.019 -11.435 1.00 0.00 O ATOM 1801 CB VAL A 115 11.798 13.085 -11.266 1.00 0.00 C ATOM 1802 CG1 VAL A 115 10.903 12.100 -10.492 1.00 0.00 C ATOM 1803 CG2 VAL A 115 11.348 14.533 -10.982 1.00 0.00 C ATOM 0 H VAL A 115 13.218 14.109 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 115 13.557 11.859 -11.027 1.00 0.00 H new ATOM 0 HB VAL A 115 11.710 12.891 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.865 12.236 -10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.214 11.078 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.996 12.288 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.309 14.658 -11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.439 14.740 -9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 115 11.977 15.226 -11.541 1.00 0.00 H new ATOM 1813 N ALA A 116 14.909 13.204 -12.608 1.00 0.00 N ATOM 1814 CA ALA A 116 15.815 13.958 -13.477 1.00 0.00 C ATOM 1815 C ALA A 116 15.025 14.846 -14.440 1.00 0.00 C ATOM 1816 O ALA A 116 13.958 14.454 -14.924 1.00 0.00 O ATOM 1817 CB ALA A 116 16.721 12.994 -14.262 1.00 0.00 C ATOM 0 H ALA A 116 14.883 12.202 -12.796 1.00 0.00 H new ATOM 0 HA ALA A 116 16.438 14.598 -12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.390 13.566 -14.905 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.309 12.398 -13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.106 12.334 -14.874 1.00 0.00 H new ATOM 1823 N ALA A 117 15.558 16.043 -14.711 1.00 0.00 N ATOM 1824 CA ALA A 117 14.907 16.993 -15.616 1.00 0.00 C ATOM 1825 C ALA A 117 15.467 16.866 -17.030 1.00 0.00 C ATOM 1826 O ALA A 117 14.863 17.413 -17.937 1.00 0.00 O ATOM 1827 CB ALA A 117 15.099 18.423 -15.108 1.00 0.00 C ATOM 1828 OXT ALA A 117 16.493 16.221 -17.185 1.00 0.00 O ATOM 0 H ALA A 117 16.438 16.375 -14.316 1.00 0.00 H new ATOM 0 HA ALA A 117 13.842 16.762 -15.643 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.611 19.120 -15.789 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.660 18.518 -14.115 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.164 18.651 -15.057 1.00 0.00 H new TER 1834 ALA A 117