USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0.269 K(o=0.27,f=-2.4!) USER MOD Single : A 1 HIS N :NH3+ 173:sc= -0.187 (180deg=-0.337!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -2.06! C(o=-2.1!,f=-4.6!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.37 K(o=-2.4,f=-6.5!) USER MOD Single : A 18 TYR OH : rot -99:sc= -8.01! USER MOD Single : A 19 THR OG1 : rot 160:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 37 TYR OH : rot 71:sc= 0.683 USER MOD Single : A 39 THR OG1 : rot 117:sc= -2.19! USER MOD Single : B 1 HIS : no HD1:sc= 0.27 K(o=0.27,f=-2.3!) USER MOD Single : B 1 HIS N :NH3+ 173:sc= -0.214 (180deg=-0.367!) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -1.95! C(o=-1.9!,f=-4.4!) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -2.67! C(o=-2.7!,f=-6.9!) USER MOD Single : B 18 TYR OH : rot -110:sc= -8.02! USER MOD Single : B 19 THR OG1 : rot 170:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 37 TYR OH : rot 73:sc= 0.646 USER MOD Single : B 39 THR OG1 : rot 113:sc= -2.11! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.849 -4.657 1.338 1.00 10.00 N ATOM 2 CA HIS A 1 -6.107 -5.393 1.657 1.00 10.00 C ATOM 3 C HIS A 1 -7.101 -4.460 2.358 1.00 10.00 C ATOM 4 O HIS A 1 -7.875 -3.775 1.720 1.00 10.00 O ATOM 5 CB HIS A 1 -5.689 -6.540 2.589 1.00 10.00 C ATOM 6 CG HIS A 1 -4.307 -6.289 3.136 1.00 10.00 C ATOM 7 ND1 HIS A 1 -4.052 -5.318 4.091 1.00 10.00 N ATOM 8 CD2 HIS A 1 -3.096 -6.877 2.866 1.00 10.00 C ATOM 9 CE1 HIS A 1 -2.734 -5.350 4.360 1.00 10.00 C ATOM 10 NE2 HIS A 1 -2.104 -6.282 3.641 1.00 10.00 N ATOM 0 H1 HIS A 1 -4.140 -5.324 0.972 1.00 10.00 H new ATOM 0 H2 HIS A 1 -5.044 -3.931 0.620 1.00 10.00 H new ATOM 0 H3 HIS A 1 -4.485 -4.203 2.200 1.00 10.00 H new ATOM 0 HA HIS A 1 -6.600 -5.768 0.760 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -6.402 -6.630 3.409 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -5.707 -7.485 2.046 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -2.937 -7.679 2.160 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -2.245 -4.701 5.071 1.00 10.00 H new ATOM 0 HE2 HIS A 1 -1.110 -6.509 3.656 1.00 10.00 H new ATOM 20 N MET A 2 -7.088 -4.425 3.662 1.00 10.00 N ATOM 21 CA MET A 2 -8.036 -3.534 4.392 1.00 10.00 C ATOM 22 C MET A 2 -7.285 -2.715 5.446 1.00 10.00 C ATOM 23 O MET A 2 -6.763 -3.248 6.405 1.00 10.00 O ATOM 24 CB MET A 2 -9.034 -4.481 5.058 1.00 10.00 C ATOM 25 CG MET A 2 -10.458 -3.980 4.813 1.00 10.00 C ATOM 26 SD MET A 2 -11.608 -5.376 4.891 1.00 10.00 S ATOM 27 CE MET A 2 -11.899 -5.538 3.113 1.00 10.00 C ATOM 0 H MET A 2 -6.464 -4.973 4.253 1.00 10.00 H new ATOM 0 HA MET A 2 -8.529 -2.822 3.730 1.00 10.00 H new ATOM 0 HB2 MET A 2 -8.918 -5.488 4.658 1.00 10.00 H new ATOM 0 HB3 MET A 2 -8.837 -4.539 6.129 1.00 10.00 H new ATOM 0 HG2 MET A 2 -10.726 -3.232 5.559 1.00 10.00 H new ATOM 0 HG3 MET A 2 -10.522 -3.496 3.839 1.00 10.00 H new ATOM 0 HE1 MET A 2 -12.594 -6.358 2.931 1.00 10.00 H new ATOM 0 HE2 MET A 2 -12.323 -4.611 2.728 1.00 10.00 H new ATOM 0 HE3 MET A 2 -10.956 -5.744 2.607 1.00 10.00 H new ATOM 37 N GLY A 3 -7.226 -1.422 5.274 1.00 10.00 N ATOM 38 CA GLY A 3 -6.508 -0.572 6.265 1.00 10.00 C ATOM 39 C GLY A 3 -6.255 0.811 5.664 1.00 10.00 C ATOM 40 O GLY A 3 -7.065 1.337 4.927 1.00 10.00 O ATOM 0 H GLY A 3 -7.643 -0.919 4.491 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -7.098 -0.481 7.177 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -5.562 -1.038 6.542 1.00 10.00 H new ATOM 44 N HIS A 4 -5.135 1.405 5.973 1.00 10.00 N ATOM 45 CA HIS A 4 -4.829 2.754 5.418 1.00 10.00 C ATOM 46 C HIS A 4 -3.317 2.992 5.414 1.00 10.00 C ATOM 47 O HIS A 4 -2.608 2.559 6.299 1.00 10.00 O ATOM 48 CB HIS A 4 -5.525 3.736 6.362 1.00 10.00 C ATOM 49 CG HIS A 4 -5.271 3.330 7.788 1.00 10.00 C ATOM 50 ND1 HIS A 4 -5.835 2.192 8.344 1.00 10.00 N ATOM 51 CD2 HIS A 4 -4.517 3.900 8.784 1.00 10.00 C ATOM 52 CE1 HIS A 4 -5.415 2.115 9.621 1.00 10.00 C ATOM 53 NE2 HIS A 4 -4.610 3.132 9.941 1.00 10.00 N ATOM 0 H HIS A 4 -4.419 1.015 6.586 1.00 10.00 H new ATOM 0 HA HIS A 4 -5.171 2.866 4.389 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -5.155 4.747 6.189 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -6.597 3.751 6.163 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -3.939 4.807 8.685 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -5.695 1.327 10.304 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -4.160 3.308 10.840 1.00 10.00 H new ATOM 61 N ILE A 5 -2.819 3.677 4.421 1.00 10.00 N ATOM 62 CA ILE A 5 -1.353 3.943 4.362 1.00 10.00 C ATOM 63 C ILE A 5 -1.096 5.393 3.938 1.00 10.00 C ATOM 64 O ILE A 5 -2.003 6.109 3.560 1.00 10.00 O ATOM 65 CB ILE A 5 -0.816 2.956 3.318 1.00 10.00 C ATOM 66 CG1 ILE A 5 0.465 2.306 3.847 1.00 10.00 C ATOM 67 CG2 ILE A 5 -0.510 3.687 2.007 1.00 10.00 C ATOM 68 CD1 ILE A 5 0.108 1.267 4.912 1.00 10.00 C ATOM 0 H ILE A 5 -3.362 4.063 3.649 1.00 10.00 H new ATOM 0 HA ILE A 5 -0.864 3.812 5.327 1.00 10.00 H new ATOM 0 HB ILE A 5 -1.570 2.191 3.131 1.00 10.00 H new ATOM 0 HG12 ILE A 5 1.009 1.833 3.030 1.00 10.00 H new ATOM 0 HG13 ILE A 5 1.123 3.065 4.270 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -0.130 2.976 1.274 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -1.421 4.148 1.626 1.00 10.00 H new ATOM 0 HG23 ILE A 5 0.239 4.458 2.187 1.00 10.00 H new ATOM 0 HD11 ILE A 5 1.020 0.804 5.289 1.00 10.00 H new ATOM 0 HD12 ILE A 5 -0.418 1.754 5.733 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -0.533 0.502 4.474 1.00 10.00 H new ATOM 80 N GLN A 6 0.132 5.832 3.998 1.00 10.00 N ATOM 81 CA GLN A 6 0.442 7.235 3.599 1.00 10.00 C ATOM 82 C GLN A 6 1.850 7.318 3.003 1.00 10.00 C ATOM 83 O GLN A 6 2.740 7.918 3.572 1.00 10.00 O ATOM 84 CB GLN A 6 0.359 8.045 4.893 1.00 10.00 C ATOM 85 CG GLN A 6 -0.591 9.228 4.694 1.00 10.00 C ATOM 86 CD GLN A 6 -0.744 9.991 6.010 1.00 10.00 C ATOM 87 OE1 GLN A 6 -1.005 9.404 7.041 1.00 10.00 O ATOM 88 NE2 GLN A 6 -0.593 11.288 6.018 1.00 10.00 N ATOM 0 H GLN A 6 0.933 5.281 4.306 1.00 10.00 H new ATOM 0 HA GLN A 6 -0.246 7.608 2.841 1.00 10.00 H new ATOM 0 HB2 GLN A 6 0.005 7.414 5.708 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.349 8.403 5.175 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -0.204 9.891 3.920 1.00 10.00 H new ATOM 0 HG3 GLN A 6 -1.563 8.873 4.353 1.00 10.00 H new ATOM 0 HE21 GLN A 6 -0.374 11.781 5.153 1.00 10.00 H new ATOM 0 HE22 GLN A 6 -0.694 11.808 6.890 1.00 10.00 H new ATOM 97 N ILE A 7 2.060 6.724 1.860 1.00 10.00 N ATOM 98 CA ILE A 7 3.412 6.773 1.232 1.00 10.00 C ATOM 99 C ILE A 7 3.593 8.095 0.478 1.00 10.00 C ATOM 100 O ILE A 7 2.721 8.518 -0.255 1.00 10.00 O ATOM 101 CB ILE A 7 3.439 5.583 0.267 1.00 10.00 C ATOM 102 CG1 ILE A 7 3.892 4.328 1.020 1.00 10.00 C ATOM 103 CG2 ILE A 7 4.417 5.864 -0.877 1.00 10.00 C ATOM 104 CD1 ILE A 7 3.172 4.247 2.367 1.00 10.00 C ATOM 0 H ILE A 7 1.355 6.207 1.334 1.00 10.00 H new ATOM 0 HA ILE A 7 4.217 6.717 1.964 1.00 10.00 H new ATOM 0 HB ILE A 7 2.440 5.429 -0.141 1.00 10.00 H new ATOM 0 HG12 ILE A 7 3.676 3.439 0.427 1.00 10.00 H new ATOM 0 HG13 ILE A 7 4.971 4.354 1.174 1.00 10.00 H new ATOM 0 HG21 ILE A 7 4.432 5.015 -1.560 1.00 10.00 H new ATOM 0 HG22 ILE A 7 4.100 6.757 -1.416 1.00 10.00 H new ATOM 0 HG23 ILE A 7 5.416 6.021 -0.471 1.00 10.00 H new ATOM 0 HD11 ILE A 7 3.497 3.353 2.900 1.00 10.00 H new ATOM 0 HD12 ILE A 7 3.410 5.130 2.960 1.00 10.00 H new ATOM 0 HD13 ILE A 7 2.096 4.200 2.202 1.00 10.00 H new ATOM 116 N PRO A 8 4.730 8.705 0.687 1.00 10.00 N ATOM 117 CA PRO A 8 5.040 9.995 0.023 1.00 10.00 C ATOM 118 C PRO A 8 5.290 9.788 -1.473 1.00 10.00 C ATOM 119 O PRO A 8 5.533 8.683 -1.916 1.00 10.00 O ATOM 120 CB PRO A 8 6.304 10.469 0.724 1.00 10.00 C ATOM 121 CG PRO A 8 6.935 9.225 1.244 1.00 10.00 C ATOM 122 CD PRO A 8 5.823 8.260 1.552 1.00 10.00 C ATOM 0 HA PRO A 8 4.225 10.715 0.095 1.00 10.00 H new ATOM 0 HB2 PRO A 8 6.967 10.991 0.035 1.00 10.00 H new ATOM 0 HB3 PRO A 8 6.073 11.163 1.532 1.00 10.00 H new ATOM 0 HG2 PRO A 8 7.618 8.803 0.507 1.00 10.00 H new ATOM 0 HG3 PRO A 8 7.521 9.435 2.139 1.00 10.00 H new ATOM 0 HD2 PRO A 8 6.113 7.232 1.335 1.00 10.00 H new ATOM 0 HD3 PRO A 8 5.541 8.296 2.604 1.00 10.00 H new ATOM 130 N PRO A 9 5.219 10.868 -2.201 1.00 10.00 N ATOM 131 CA PRO A 9 5.440 10.813 -3.666 1.00 10.00 C ATOM 132 C PRO A 9 6.928 10.629 -3.976 1.00 10.00 C ATOM 133 O PRO A 9 7.781 10.894 -3.151 1.00 10.00 O ATOM 134 CB PRO A 9 4.950 12.173 -4.152 1.00 10.00 C ATOM 135 CG PRO A 9 5.077 13.080 -2.968 1.00 10.00 C ATOM 136 CD PRO A 9 4.929 12.228 -1.734 1.00 10.00 C ATOM 0 HA PRO A 9 4.924 9.981 -4.146 1.00 10.00 H new ATOM 0 HB2 PRO A 9 5.549 12.532 -4.989 1.00 10.00 H new ATOM 0 HB3 PRO A 9 3.918 12.119 -4.498 1.00 10.00 H new ATOM 0 HG2 PRO A 9 6.043 13.585 -2.973 1.00 10.00 H new ATOM 0 HG3 PRO A 9 4.311 13.855 -2.994 1.00 10.00 H new ATOM 0 HD2 PRO A 9 5.622 12.537 -0.951 1.00 10.00 H new ATOM 0 HD3 PRO A 9 3.924 12.301 -1.318 1.00 10.00 H new ATOM 144 N GLY A 10 7.246 10.178 -5.159 1.00 10.00 N ATOM 145 CA GLY A 10 8.678 9.979 -5.519 1.00 10.00 C ATOM 146 C GLY A 10 9.131 8.587 -5.071 1.00 10.00 C ATOM 147 O GLY A 10 9.915 7.936 -5.734 1.00 10.00 O ATOM 0 H GLY A 10 6.577 9.939 -5.891 1.00 10.00 H new ATOM 0 HA2 GLY A 10 8.811 10.087 -6.595 1.00 10.00 H new ATOM 0 HA3 GLY A 10 9.293 10.743 -5.043 1.00 10.00 H new ATOM 151 N LEU A 11 8.645 8.125 -3.952 1.00 10.00 N ATOM 152 CA LEU A 11 9.051 6.775 -3.467 1.00 10.00 C ATOM 153 C LEU A 11 8.305 5.691 -4.248 1.00 10.00 C ATOM 154 O LEU A 11 8.847 4.646 -4.549 1.00 10.00 O ATOM 155 CB LEU A 11 8.651 6.743 -1.990 1.00 10.00 C ATOM 156 CG LEU A 11 9.390 7.840 -1.209 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.873 7.271 0.125 1.00 10.00 C ATOM 158 CD2 LEU A 11 10.600 8.343 -2.006 1.00 10.00 C ATOM 0 H LEU A 11 7.986 8.622 -3.353 1.00 10.00 H new ATOM 0 HA LEU A 11 10.117 6.591 -3.602 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.574 6.884 -1.896 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.883 5.766 -1.565 1.00 10.00 H new ATOM 0 HG LEU A 11 8.706 8.671 -1.039 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.398 8.047 0.683 1.00 10.00 H new ATOM 0 HD12 LEU A 11 9.017 6.924 0.704 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.549 6.436 -0.059 1.00 10.00 H new ATOM 0 HD21 LEU A 11 11.112 9.120 -1.438 1.00 10.00 H new ATOM 0 HD22 LEU A 11 11.285 7.515 -2.188 1.00 10.00 H new ATOM 0 HD23 LEU A 11 10.264 8.752 -2.959 1.00 10.00 H new ATOM 170 N THR A 12 7.065 5.932 -4.580 1.00 10.00 N ATOM 171 CA THR A 12 6.287 4.914 -5.342 1.00 10.00 C ATOM 172 C THR A 12 7.160 4.298 -6.437 1.00 10.00 C ATOM 173 O THR A 12 7.614 3.178 -6.325 1.00 10.00 O ATOM 174 CB THR A 12 5.120 5.687 -5.958 1.00 10.00 C ATOM 175 OG1 THR A 12 4.195 6.036 -4.937 1.00 10.00 O ATOM 176 CG2 THR A 12 4.424 4.816 -7.004 1.00 10.00 C ATOM 0 H THR A 12 6.558 6.789 -4.357 1.00 10.00 H new ATOM 0 HA THR A 12 5.944 4.095 -4.709 1.00 10.00 H new ATOM 0 HB THR A 12 5.494 6.593 -6.435 1.00 10.00 H new ATOM 0 HG1 THR A 12 3.447 6.533 -5.329 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.593 5.368 -7.442 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.135 4.549 -7.786 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.048 3.909 -6.530 1.00 10.00 H new ATOM 184 N GLU A 13 7.395 5.028 -7.489 1.00 10.00 N ATOM 185 CA GLU A 13 8.240 4.500 -8.602 1.00 10.00 C ATOM 186 C GLU A 13 9.364 3.620 -8.044 1.00 10.00 C ATOM 187 O GLU A 13 9.554 2.497 -8.467 1.00 10.00 O ATOM 188 CB GLU A 13 8.816 5.741 -9.284 1.00 10.00 C ATOM 189 CG GLU A 13 10.043 5.350 -10.111 1.00 10.00 C ATOM 190 CD GLU A 13 10.512 6.553 -10.930 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.722 7.058 -11.711 1.00 10.00 O ATOM 192 OE2 GLU A 13 11.654 6.950 -10.763 1.00 10.00 O ATOM 0 H GLU A 13 7.038 5.973 -7.630 1.00 10.00 H new ATOM 0 HA GLU A 13 7.670 3.882 -9.296 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.063 6.198 -9.926 1.00 10.00 H new ATOM 0 HB3 GLU A 13 9.091 6.485 -8.536 1.00 10.00 H new ATOM 0 HG2 GLU A 13 10.844 5.010 -9.454 1.00 10.00 H new ATOM 0 HG3 GLU A 13 9.799 4.519 -10.773 1.00 10.00 H new ATOM 199 N LEU A 14 10.110 4.120 -7.097 1.00 10.00 N ATOM 200 CA LEU A 14 11.216 3.308 -6.516 1.00 10.00 C ATOM 201 C LEU A 14 10.642 2.118 -5.740 1.00 10.00 C ATOM 202 O LEU A 14 10.842 0.976 -6.100 1.00 10.00 O ATOM 203 CB LEU A 14 11.955 4.257 -5.570 1.00 10.00 C ATOM 204 CG LEU A 14 13.038 5.017 -6.340 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.950 5.746 -5.352 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.871 4.031 -7.163 1.00 10.00 C ATOM 0 H LEU A 14 10.002 5.054 -6.701 1.00 10.00 H new ATOM 0 HA LEU A 14 11.877 2.903 -7.282 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.252 4.960 -5.123 1.00 10.00 H new ATOM 0 HB3 LEU A 14 12.405 3.693 -4.753 1.00 10.00 H new ATOM 0 HG LEU A 14 12.567 5.740 -7.006 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.721 6.287 -5.900 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.361 6.450 -4.764 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.419 5.021 -4.687 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.641 4.574 -7.710 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.341 3.307 -6.497 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.225 3.509 -7.868 1.00 10.00 H new ATOM 218 N LEU A 15 9.928 2.379 -4.678 1.00 10.00 N ATOM 219 CA LEU A 15 9.340 1.262 -3.883 1.00 10.00 C ATOM 220 C LEU A 15 8.577 0.307 -4.805 1.00 10.00 C ATOM 221 O LEU A 15 8.862 -0.872 -4.864 1.00 10.00 O ATOM 222 CB LEU A 15 8.389 1.937 -2.894 1.00 10.00 C ATOM 223 CG LEU A 15 9.179 2.894 -1.999 1.00 10.00 C ATOM 224 CD1 LEU A 15 8.306 3.330 -0.822 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.427 2.183 -1.470 1.00 10.00 C ATOM 0 H LEU A 15 9.727 3.315 -4.327 1.00 10.00 H new ATOM 0 HA LEU A 15 10.099 0.670 -3.372 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.614 2.482 -3.433 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.886 1.185 -2.286 1.00 10.00 H new ATOM 0 HG LEU A 15 9.475 3.770 -2.576 1.00 10.00 H new ATOM 0 HD11 LEU A 15 8.869 4.012 -0.184 1.00 10.00 H new ATOM 0 HD12 LEU A 15 7.416 3.835 -1.197 1.00 10.00 H new ATOM 0 HD13 LEU A 15 8.010 2.454 -0.244 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.991 2.864 -0.832 1.00 10.00 H new ATOM 0 HD22 LEU A 15 10.130 1.307 -0.893 1.00 10.00 H new ATOM 0 HD23 LEU A 15 11.050 1.871 -2.308 1.00 10.00 H new ATOM 237 N GLN A 16 7.613 0.807 -5.531 1.00 10.00 N ATOM 238 CA GLN A 16 6.841 -0.077 -6.451 1.00 10.00 C ATOM 239 C GLN A 16 7.798 -1.001 -7.204 1.00 10.00 C ATOM 240 O GLN A 16 7.691 -2.210 -7.137 1.00 10.00 O ATOM 241 CB GLN A 16 6.135 0.869 -7.421 1.00 10.00 C ATOM 242 CG GLN A 16 4.667 0.463 -7.553 1.00 10.00 C ATOM 243 CD GLN A 16 3.907 1.547 -8.317 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.434 2.612 -8.568 1.00 10.00 O ATOM 245 NE2 GLN A 16 2.680 1.321 -8.700 1.00 10.00 N ATOM 0 H GLN A 16 7.328 1.786 -5.527 1.00 10.00 H new ATOM 0 HA GLN A 16 6.131 -0.710 -5.919 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.208 1.896 -7.062 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.621 0.836 -8.396 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.587 -0.490 -8.076 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.227 0.322 -6.566 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.237 0.427 -8.490 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.164 2.039 -9.210 1.00 10.00 H new ATOM 254 N GLY A 17 8.742 -0.444 -7.912 1.00 10.00 N ATOM 255 CA GLY A 17 9.708 -1.298 -8.656 1.00 10.00 C ATOM 256 C GLY A 17 10.233 -2.380 -7.713 1.00 10.00 C ATOM 257 O GLY A 17 10.253 -3.549 -8.043 1.00 10.00 O ATOM 0 H GLY A 17 8.885 0.561 -8.007 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.223 -1.753 -9.520 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.533 -0.694 -9.035 1.00 10.00 H new ATOM 261 N TYR A 18 10.649 -1.996 -6.536 1.00 10.00 N ATOM 262 CA TYR A 18 11.163 -2.996 -5.559 1.00 10.00 C ATOM 263 C TYR A 18 10.322 -4.270 -5.619 1.00 10.00 C ATOM 264 O TYR A 18 10.815 -5.338 -5.924 1.00 10.00 O ATOM 265 CB TYR A 18 11.010 -2.323 -4.195 1.00 10.00 C ATOM 266 CG TYR A 18 12.190 -2.671 -3.326 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.482 -2.659 -3.864 1.00 10.00 C ATOM 268 CD2 TYR A 18 11.994 -3.003 -1.979 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.579 -2.981 -3.056 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.091 -3.324 -1.172 1.00 10.00 C ATOM 271 CZ TYR A 18 14.382 -3.313 -1.710 1.00 10.00 C ATOM 272 OH TYR A 18 15.462 -3.626 -0.914 1.00 10.00 O ATOM 0 H TYR A 18 10.655 -1.030 -6.209 1.00 10.00 H new ATOM 0 HA TYR A 18 12.194 -3.284 -5.763 1.00 10.00 H new ATOM 0 HB2 TYR A 18 10.941 -1.242 -4.317 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.086 -2.649 -3.719 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.633 -2.401 -4.902 1.00 10.00 H new ATOM 0 HD2 TYR A 18 10.997 -3.011 -1.564 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.576 -2.973 -3.470 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.941 -3.580 -0.134 1.00 10.00 H new ATOM 0 HH TYR A 18 15.543 -4.600 -0.841 1.00 10.00 H new ATOM 282 N THR A 19 9.054 -4.165 -5.331 1.00 10.00 N ATOM 283 CA THR A 19 8.181 -5.369 -5.373 1.00 10.00 C ATOM 284 C THR A 19 8.363 -6.093 -6.710 1.00 10.00 C ATOM 285 O THR A 19 8.495 -7.298 -6.759 1.00 10.00 O ATOM 286 CB THR A 19 6.753 -4.828 -5.216 1.00 10.00 C ATOM 287 OG1 THR A 19 6.172 -5.376 -4.041 1.00 10.00 O ATOM 288 CG2 THR A 19 5.897 -5.209 -6.428 1.00 10.00 C ATOM 0 H THR A 19 8.586 -3.298 -5.069 1.00 10.00 H new ATOM 0 HA THR A 19 8.417 -6.093 -4.593 1.00 10.00 H new ATOM 0 HB THR A 19 6.794 -3.741 -5.143 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.419 -4.817 -3.757 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.888 -4.817 -6.299 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.337 -4.787 -7.331 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.856 -6.295 -6.517 1.00 10.00 H new ATOM 296 N VAL A 20 8.372 -5.365 -7.791 1.00 10.00 N ATOM 297 CA VAL A 20 8.547 -6.011 -9.125 1.00 10.00 C ATOM 298 C VAL A 20 9.896 -6.733 -9.193 1.00 10.00 C ATOM 299 O VAL A 20 10.061 -7.692 -9.919 1.00 10.00 O ATOM 300 CB VAL A 20 8.504 -4.862 -10.131 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.332 -5.423 -11.543 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.327 -3.941 -9.802 1.00 10.00 C ATOM 0 H VAL A 20 8.266 -4.351 -7.810 1.00 10.00 H new ATOM 0 HA VAL A 20 7.778 -6.757 -9.325 1.00 10.00 H new ATOM 0 HB VAL A 20 9.435 -4.298 -10.076 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.301 -4.602 -12.259 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.170 -6.079 -11.778 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.402 -5.988 -11.599 1.00 10.00 H new ATOM 0 HG21 VAL A 20 7.295 -3.121 -10.519 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.397 -4.506 -9.856 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.450 -3.539 -8.796 1.00 10.00 H new ATOM 312 N GLU A 21 10.861 -6.277 -8.442 1.00 10.00 N ATOM 313 CA GLU A 21 12.200 -6.941 -8.468 1.00 10.00 C ATOM 314 C GLU A 21 12.230 -8.088 -7.460 1.00 10.00 C ATOM 315 O GLU A 21 12.514 -9.221 -7.793 1.00 10.00 O ATOM 316 CB GLU A 21 13.215 -5.868 -8.059 1.00 10.00 C ATOM 317 CG GLU A 21 12.633 -4.479 -8.302 1.00 10.00 C ATOM 318 CD GLU A 21 13.754 -3.514 -8.695 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.883 -3.960 -8.804 1.00 10.00 O ATOM 320 OE2 GLU A 21 13.462 -2.344 -8.882 1.00 10.00 O ATOM 0 H GLU A 21 10.783 -5.477 -7.814 1.00 10.00 H new ATOM 0 HA GLU A 21 12.423 -7.351 -9.453 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.474 -5.984 -7.007 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.136 -5.990 -8.630 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.882 -4.521 -9.091 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.131 -4.122 -7.403 1.00 10.00 H new ATOM 327 N VAL A 22 11.945 -7.789 -6.225 1.00 10.00 N ATOM 328 CA VAL A 22 11.958 -8.844 -5.174 1.00 10.00 C ATOM 329 C VAL A 22 10.996 -9.979 -5.542 1.00 10.00 C ATOM 330 O VAL A 22 11.110 -11.082 -5.048 1.00 10.00 O ATOM 331 CB VAL A 22 11.505 -8.138 -3.895 1.00 10.00 C ATOM 332 CG1 VAL A 22 11.928 -8.964 -2.686 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.158 -6.756 -3.808 1.00 10.00 C ATOM 0 H VAL A 22 11.702 -6.855 -5.896 1.00 10.00 H new ATOM 0 HA VAL A 22 12.942 -9.297 -5.058 1.00 10.00 H new ATOM 0 HB VAL A 22 10.421 -8.029 -3.910 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.607 -8.463 -1.773 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.468 -9.951 -2.740 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.013 -9.070 -2.679 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.833 -6.257 -2.895 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.242 -6.866 -3.794 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.865 -6.160 -4.672 1.00 10.00 H new ATOM 343 N LEU A 23A 10.055 -9.723 -6.409 1.00 10.00 N ATOM 344 CA LEU A 23A 9.100 -10.800 -6.806 1.00 10.00 C ATOM 345 C LEU A 23A 9.696 -11.628 -7.947 1.00 10.00 C ATOM 346 O LEU A 23A 9.673 -12.842 -7.923 1.00 10.00 O ATOM 347 CB LEU A 23A 7.841 -10.073 -7.279 1.00 10.00 C ATOM 348 CG LEU A 23A 6.806 -10.059 -6.154 1.00 10.00 C ATOM 349 CD1 LEU A 23A 7.361 -9.290 -4.954 1.00 10.00 C ATOM 350 CD2 LEU A 23A 5.527 -9.379 -6.648 1.00 10.00 C ATOM 0 H LEU A 23A 9.905 -8.820 -6.859 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.886 -11.483 -5.984 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 8.087 -9.053 -7.574 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.431 -10.569 -8.159 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.583 -11.083 -5.855 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 6.621 -9.282 -4.154 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 8.272 -9.774 -4.601 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 7.586 -8.266 -5.251 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 4.788 -9.368 -5.847 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.752 -8.356 -6.948 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 5.129 -9.928 -7.501 1.00 10.00 H new ATOM 362 N ARG A 24 10.231 -10.979 -8.944 1.00 10.00 N ATOM 363 CA ARG A 24 10.829 -11.729 -10.086 1.00 10.00 C ATOM 364 C ARG A 24 12.089 -12.468 -9.628 1.00 10.00 C ATOM 365 O ARG A 24 12.217 -13.663 -9.803 1.00 10.00 O ATOM 366 CB ARG A 24 11.182 -10.661 -11.120 1.00 10.00 C ATOM 367 CG ARG A 24 10.219 -10.760 -12.305 1.00 10.00 C ATOM 368 CD ARG A 24 8.802 -10.412 -11.841 1.00 10.00 C ATOM 369 NE ARG A 24 8.057 -10.093 -13.090 1.00 10.00 N ATOM 370 CZ ARG A 24 8.291 -8.976 -13.726 1.00 10.00 C ATOM 371 NH1 ARG A 24 8.955 -8.016 -13.142 1.00 10.00 N ATOM 372 NH2 ARG A 24 7.859 -8.820 -14.948 1.00 10.00 N ATOM 0 H ARG A 24 10.280 -9.963 -9.018 1.00 10.00 H new ATOM 0 HA ARG A 24 10.148 -12.478 -10.490 1.00 10.00 H new ATOM 0 HB2 ARG A 24 11.121 -9.670 -10.670 1.00 10.00 H new ATOM 0 HB3 ARG A 24 12.209 -10.794 -11.460 1.00 10.00 H new ATOM 0 HG2 ARG A 24 10.531 -10.081 -13.098 1.00 10.00 H new ATOM 0 HG3 ARG A 24 10.240 -11.767 -12.721 1.00 10.00 H new ATOM 0 HD2 ARG A 24 8.344 -11.247 -11.310 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.808 -9.564 -11.157 1.00 10.00 H new ATOM 0 HE ARG A 24 7.363 -10.748 -13.450 1.00 10.00 H new ATOM 0 HH11 ARG A 24 9.292 -8.137 -12.187 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.136 -7.145 -13.641 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.340 -9.570 -15.405 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.041 -7.949 -15.446 1.00 10.00 H new ATOM 386 N GLN A 25 13.021 -11.765 -9.044 1.00 10.00 N ATOM 387 CA GLN A 25 14.272 -12.428 -8.577 1.00 10.00 C ATOM 388 C GLN A 25 14.019 -13.174 -7.264 1.00 10.00 C ATOM 389 O GLN A 25 14.671 -14.154 -6.960 1.00 10.00 O ATOM 390 CB GLN A 25 15.272 -11.290 -8.360 1.00 10.00 C ATOM 391 CG GLN A 25 15.301 -10.385 -9.594 1.00 10.00 C ATOM 392 CD GLN A 25 16.449 -10.810 -10.512 1.00 10.00 C ATOM 393 OE1 GLN A 25 16.722 -11.985 -10.658 1.00 10.00 O ATOM 394 NE2 GLN A 25 17.136 -9.897 -11.142 1.00 10.00 N ATOM 0 H GLN A 25 12.970 -10.761 -8.870 1.00 10.00 H new ATOM 0 HA GLN A 25 14.639 -13.162 -9.295 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.993 -10.711 -7.479 1.00 10.00 H new ATOM 0 HB3 GLN A 25 16.266 -11.697 -8.172 1.00 10.00 H new ATOM 0 HG2 GLN A 25 14.352 -10.449 -10.127 1.00 10.00 H new ATOM 0 HG3 GLN A 25 15.428 -9.345 -9.293 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.907 -8.911 -11.019 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.902 -10.170 -11.757 1.00 10.00 H new ATOM 403 N GLN A 26 13.081 -12.713 -6.483 1.00 10.00 N ATOM 404 CA GLN A 26 12.783 -13.388 -5.186 1.00 10.00 C ATOM 405 C GLN A 26 14.078 -13.870 -4.528 1.00 10.00 C ATOM 406 O GLN A 26 14.341 -15.056 -4.462 1.00 10.00 O ATOM 407 CB GLN A 26 11.888 -14.574 -5.547 1.00 10.00 C ATOM 408 CG GLN A 26 10.624 -14.539 -4.686 1.00 10.00 C ATOM 409 CD GLN A 26 9.777 -15.780 -4.972 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.226 -16.696 -5.632 1.00 10.00 O ATOM 411 NE2 GLN A 26 8.562 -15.850 -4.500 1.00 10.00 N ATOM 0 H GLN A 26 12.506 -11.896 -6.687 1.00 10.00 H new ATOM 0 HA GLN A 26 12.299 -12.717 -4.476 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.623 -14.535 -6.603 1.00 10.00 H new ATOM 0 HB3 GLN A 26 12.424 -15.510 -5.387 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.891 -14.504 -3.630 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.050 -13.637 -4.900 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.185 -15.081 -3.946 1.00 10.00 H new ATOM 0 HE22 GLN A 26 7.990 -16.674 -4.685 1.00 10.00 H new ATOM 420 N PRO A 27 14.846 -12.925 -4.062 1.00 10.00 N ATOM 421 CA PRO A 27 16.134 -13.238 -3.398 1.00 10.00 C ATOM 422 C PRO A 27 15.890 -13.911 -2.044 1.00 10.00 C ATOM 423 O PRO A 27 14.796 -13.868 -1.516 1.00 10.00 O ATOM 424 CB PRO A 27 16.786 -11.870 -3.216 1.00 10.00 C ATOM 425 CG PRO A 27 15.647 -10.906 -3.206 1.00 10.00 C ATOM 426 CD PRO A 27 14.591 -11.484 -4.110 1.00 10.00 C ATOM 0 HA PRO A 27 16.754 -13.927 -3.971 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.353 -11.822 -2.287 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.482 -11.652 -4.026 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.261 -10.771 -2.195 1.00 10.00 H new ATOM 0 HG3 PRO A 27 15.966 -9.925 -3.559 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.588 -11.243 -3.759 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.676 -11.096 -5.125 1.00 10.00 H new ATOM 434 N PRO A 28 16.927 -14.507 -1.525 1.00 10.00 N ATOM 435 CA PRO A 28 16.838 -15.194 -0.216 1.00 10.00 C ATOM 436 C PRO A 28 16.663 -14.170 0.910 1.00 10.00 C ATOM 437 O PRO A 28 15.924 -14.385 1.850 1.00 10.00 O ATOM 438 CB PRO A 28 18.178 -15.916 -0.096 1.00 10.00 C ATOM 439 CG PRO A 28 19.105 -15.141 -0.974 1.00 10.00 C ATOM 440 CD PRO A 28 18.270 -14.597 -2.102 1.00 10.00 C ATOM 0 HA PRO A 28 15.989 -15.874 -0.144 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.529 -15.931 0.936 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.099 -16.954 -0.421 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.580 -14.333 -0.418 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.903 -15.779 -1.354 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.630 -13.623 -2.433 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.290 -15.256 -2.970 1.00 10.00 H new ATOM 448 N ASP A 29 17.337 -13.058 0.817 1.00 10.00 N ATOM 449 CA ASP A 29 17.209 -12.015 1.875 1.00 10.00 C ATOM 450 C ASP A 29 16.874 -10.664 1.237 1.00 10.00 C ATOM 451 O ASP A 29 17.276 -10.375 0.127 1.00 10.00 O ATOM 452 CB ASP A 29 18.580 -11.968 2.554 1.00 10.00 C ATOM 453 CG ASP A 29 18.772 -13.226 3.400 1.00 10.00 C ATOM 454 OD1 ASP A 29 17.805 -13.666 4.000 1.00 10.00 O ATOM 455 OD2 ASP A 29 19.884 -13.729 3.436 1.00 10.00 O ATOM 0 H ASP A 29 17.972 -12.825 0.053 1.00 10.00 H new ATOM 0 HA ASP A 29 16.414 -12.238 2.587 1.00 10.00 H new ATOM 0 HB2 ASP A 29 19.367 -11.898 1.803 1.00 10.00 H new ATOM 0 HB3 ASP A 29 18.657 -11.080 3.181 1.00 10.00 H new ATOM 460 N LEU A 30 16.135 -9.838 1.925 1.00 10.00 N ATOM 461 CA LEU A 30 15.770 -8.510 1.351 1.00 10.00 C ATOM 462 C LEU A 30 16.825 -7.466 1.725 1.00 10.00 C ATOM 463 O LEU A 30 17.405 -6.828 0.868 1.00 10.00 O ATOM 464 CB LEU A 30 14.417 -8.170 1.985 1.00 10.00 C ATOM 465 CG LEU A 30 13.587 -7.272 1.055 1.00 10.00 C ATOM 466 CD1 LEU A 30 13.816 -5.807 1.424 1.00 10.00 C ATOM 467 CD2 LEU A 30 13.991 -7.496 -0.407 1.00 10.00 C ATOM 0 H LEU A 30 15.768 -10.024 2.858 1.00 10.00 H new ATOM 0 HA LEU A 30 15.717 -8.525 0.262 1.00 10.00 H new ATOM 0 HB2 LEU A 30 13.868 -9.088 2.196 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.574 -7.666 2.939 1.00 10.00 H new ATOM 0 HG LEU A 30 12.533 -7.524 1.173 1.00 10.00 H new ATOM 0 HD11 LEU A 30 13.227 -5.169 0.764 1.00 10.00 H new ATOM 0 HD12 LEU A 30 13.511 -5.640 2.457 1.00 10.00 H new ATOM 0 HD13 LEU A 30 14.873 -5.565 1.314 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.393 -6.852 -1.052 1.00 10.00 H new ATOM 0 HD22 LEU A 30 15.047 -7.257 -0.533 1.00 10.00 H new ATOM 0 HD23 LEU A 30 13.820 -8.538 -0.676 1.00 10.00 H new ATOM 479 N VAL A 31 17.082 -7.292 2.996 1.00 10.00 N ATOM 480 CA VAL A 31 18.107 -6.292 3.421 1.00 10.00 C ATOM 481 C VAL A 31 19.240 -6.243 2.399 1.00 10.00 C ATOM 482 O VAL A 31 19.521 -5.220 1.805 1.00 10.00 O ATOM 483 CB VAL A 31 18.643 -6.811 4.753 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.522 -5.739 5.400 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.474 -7.139 5.685 1.00 10.00 C ATOM 0 H VAL A 31 16.628 -7.798 3.756 1.00 10.00 H new ATOM 0 HA VAL A 31 17.689 -5.289 3.505 1.00 10.00 H new ATOM 0 HB VAL A 31 19.232 -7.712 4.579 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.905 -6.108 6.351 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.356 -5.505 4.739 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.931 -4.839 5.572 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.859 -7.509 6.635 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.884 -6.239 5.859 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.846 -7.902 5.226 1.00 10.00 H new ATOM 495 N ASP A 32 19.886 -7.353 2.195 1.00 10.00 N ATOM 496 CA ASP A 32 21.003 -7.409 1.217 1.00 10.00 C ATOM 497 C ASP A 32 20.503 -7.022 -0.177 1.00 10.00 C ATOM 498 O ASP A 32 21.094 -6.201 -0.851 1.00 10.00 O ATOM 499 CB ASP A 32 21.454 -8.866 1.254 1.00 10.00 C ATOM 500 CG ASP A 32 22.955 -8.949 0.969 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.395 -8.308 0.029 1.00 10.00 O ATOM 502 OD2 ASP A 32 23.638 -9.652 1.695 1.00 10.00 O ATOM 0 H ASP A 32 19.686 -8.234 2.669 1.00 10.00 H new ATOM 0 HA ASP A 32 21.814 -6.720 1.453 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.235 -9.300 2.230 1.00 10.00 H new ATOM 0 HB3 ASP A 32 20.901 -9.447 0.516 1.00 10.00 H new ATOM 507 N PHE A 33 19.416 -7.597 -0.614 1.00 10.00 N ATOM 508 CA PHE A 33 18.887 -7.243 -1.961 1.00 10.00 C ATOM 509 C PHE A 33 18.661 -5.733 -2.040 1.00 10.00 C ATOM 510 O PHE A 33 18.830 -5.122 -3.077 1.00 10.00 O ATOM 511 CB PHE A 33 17.560 -7.990 -2.090 1.00 10.00 C ATOM 512 CG PHE A 33 16.868 -7.558 -3.362 1.00 10.00 C ATOM 513 CD1 PHE A 33 17.153 -8.207 -4.570 1.00 10.00 C ATOM 514 CD2 PHE A 33 15.944 -6.505 -3.335 1.00 10.00 C ATOM 515 CE1 PHE A 33 16.516 -7.803 -5.751 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.308 -6.101 -4.515 1.00 10.00 C ATOM 517 CZ PHE A 33 15.593 -6.751 -5.722 1.00 10.00 C ATOM 0 H PHE A 33 18.875 -8.292 -0.100 1.00 10.00 H new ATOM 0 HA PHE A 33 19.576 -7.515 -2.761 1.00 10.00 H new ATOM 0 HB2 PHE A 33 17.735 -9.066 -2.104 1.00 10.00 H new ATOM 0 HB3 PHE A 33 16.926 -7.781 -1.228 1.00 10.00 H new ATOM 0 HD1 PHE A 33 17.864 -9.019 -4.591 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.722 -6.005 -2.404 1.00 10.00 H new ATOM 0 HE1 PHE A 33 16.737 -8.303 -6.683 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.597 -5.288 -4.494 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.100 -6.440 -6.631 1.00 10.00 H new ATOM 527 N ALA A 34 18.285 -5.127 -0.948 1.00 10.00 N ATOM 528 CA ALA A 34 18.055 -3.656 -0.953 1.00 10.00 C ATOM 529 C ALA A 34 19.370 -2.928 -1.223 1.00 10.00 C ATOM 530 O ALA A 34 19.452 -2.069 -2.079 1.00 10.00 O ATOM 531 CB ALA A 34 17.543 -3.328 0.451 1.00 10.00 C ATOM 0 H ALA A 34 18.127 -5.588 -0.052 1.00 10.00 H new ATOM 0 HA ALA A 34 17.349 -3.348 -1.724 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.350 -2.258 0.527 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.621 -3.878 0.640 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.293 -3.614 1.188 1.00 10.00 H new ATOM 537 N VAL A 35 20.398 -3.263 -0.497 1.00 10.00 N ATOM 538 CA VAL A 35 21.700 -2.601 -0.701 1.00 10.00 C ATOM 539 C VAL A 35 22.226 -2.869 -2.112 1.00 10.00 C ATOM 540 O VAL A 35 22.808 -2.012 -2.732 1.00 10.00 O ATOM 541 CB VAL A 35 22.598 -3.247 0.344 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.953 -2.565 0.324 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.968 -3.085 1.727 1.00 10.00 C ATOM 0 H VAL A 35 20.385 -3.974 0.234 1.00 10.00 H new ATOM 0 HA VAL A 35 21.647 -1.517 -0.600 1.00 10.00 H new ATOM 0 HB VAL A 35 22.716 -4.308 0.122 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.602 -3.023 1.071 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.401 -2.676 -0.663 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.831 -1.506 0.550 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.611 -3.548 2.476 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.853 -2.025 1.952 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.990 -3.567 1.740 1.00 10.00 H new ATOM 553 N GLU A 36 22.034 -4.054 -2.621 1.00 10.00 N ATOM 554 CA GLU A 36 22.541 -4.364 -3.990 1.00 10.00 C ATOM 555 C GLU A 36 21.774 -3.559 -5.050 1.00 10.00 C ATOM 556 O GLU A 36 22.340 -3.105 -6.024 1.00 10.00 O ATOM 557 CB GLU A 36 22.304 -5.871 -4.160 1.00 10.00 C ATOM 558 CG GLU A 36 21.262 -6.122 -5.255 1.00 10.00 C ATOM 559 CD GLU A 36 21.187 -7.622 -5.551 1.00 10.00 C ATOM 560 OE1 GLU A 36 21.734 -8.386 -4.772 1.00 10.00 O ATOM 561 OE2 GLU A 36 20.583 -7.980 -6.548 1.00 10.00 O ATOM 0 H GLU A 36 21.550 -4.820 -2.152 1.00 10.00 H new ATOM 0 HA GLU A 36 23.591 -4.100 -4.113 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.240 -6.367 -4.418 1.00 10.00 H new ATOM 0 HB3 GLU A 36 21.964 -6.302 -3.218 1.00 10.00 H new ATOM 0 HG2 GLU A 36 20.287 -5.754 -4.936 1.00 10.00 H new ATOM 0 HG3 GLU A 36 21.529 -5.575 -6.159 1.00 10.00 H new ATOM 568 N TYR A 37 20.494 -3.387 -4.874 1.00 10.00 N ATOM 569 CA TYR A 37 19.702 -2.621 -5.881 1.00 10.00 C ATOM 570 C TYR A 37 20.011 -1.123 -5.787 1.00 10.00 C ATOM 571 O TYR A 37 20.631 -0.553 -6.662 1.00 10.00 O ATOM 572 CB TYR A 37 18.240 -2.890 -5.525 1.00 10.00 C ATOM 573 CG TYR A 37 17.343 -2.127 -6.471 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.261 -2.507 -7.817 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.597 -1.037 -6.005 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.430 -1.800 -8.695 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.767 -0.330 -6.883 1.00 10.00 C ATOM 578 CZ TYR A 37 15.684 -0.710 -8.229 1.00 10.00 C ATOM 579 OH TYR A 37 14.867 -0.013 -9.094 1.00 10.00 O ATOM 0 H TYR A 37 19.962 -3.742 -4.080 1.00 10.00 H new ATOM 0 HA TYR A 37 19.938 -2.925 -6.901 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.030 -3.958 -5.589 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.043 -2.587 -4.497 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.839 -3.345 -8.178 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.662 -0.742 -4.968 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.364 -2.095 -9.732 1.00 10.00 H new ATOM 0 HE2 TYR A 37 15.190 0.509 -6.523 1.00 10.00 H new ATOM 0 HH TYR A 37 14.093 -0.566 -9.330 1.00 10.00 H new ATOM 589 N PHE A 38 19.575 -0.482 -4.739 1.00 10.00 N ATOM 590 CA PHE A 38 19.834 0.981 -4.595 1.00 10.00 C ATOM 591 C PHE A 38 21.325 1.288 -4.784 1.00 10.00 C ATOM 592 O PHE A 38 21.704 2.009 -5.685 1.00 10.00 O ATOM 593 CB PHE A 38 19.380 1.322 -3.178 1.00 10.00 C ATOM 594 CG PHE A 38 17.873 1.250 -3.109 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.099 1.812 -4.131 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.248 0.617 -2.026 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.701 1.744 -4.072 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.850 0.550 -1.966 1.00 10.00 C ATOM 599 CZ PHE A 38 15.077 1.112 -2.989 1.00 10.00 C ATOM 0 H PHE A 38 19.050 -0.907 -3.974 1.00 10.00 H new ATOM 0 HA PHE A 38 19.304 1.569 -5.344 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.822 0.627 -2.464 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.721 2.320 -2.904 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.580 2.299 -4.966 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.844 0.181 -1.238 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.105 2.179 -4.861 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.368 0.065 -1.130 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.999 1.058 -2.943 1.00 10.00 H new ATOM 609 N THR A 39 22.172 0.750 -3.949 1.00 10.00 N ATOM 610 CA THR A 39 23.634 1.021 -4.100 1.00 10.00 C ATOM 611 C THR A 39 24.018 0.983 -5.579 1.00 10.00 C ATOM 612 O THR A 39 24.500 1.951 -6.132 1.00 10.00 O ATOM 613 CB THR A 39 24.331 -0.110 -3.345 1.00 10.00 C ATOM 614 OG1 THR A 39 24.196 0.098 -1.946 1.00 10.00 O ATOM 615 CG2 THR A 39 25.811 -0.148 -3.720 1.00 10.00 C ATOM 0 H THR A 39 21.919 0.138 -3.173 1.00 10.00 H new ATOM 0 HA THR A 39 23.915 2.001 -3.714 1.00 10.00 H new ATOM 0 HB THR A 39 23.870 -1.060 -3.615 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.676 -0.635 -1.555 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.303 -0.956 -3.179 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.910 -0.316 -4.792 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.277 0.801 -3.457 1.00 10.00 H new ATOM 623 N ARG A 40 23.801 -0.130 -6.224 1.00 10.00 N ATOM 624 CA ARG A 40 24.146 -0.232 -7.668 1.00 10.00 C ATOM 625 C ARG A 40 23.471 0.902 -8.444 1.00 10.00 C ATOM 626 O ARG A 40 23.956 1.341 -9.466 1.00 10.00 O ATOM 627 CB ARG A 40 23.599 -1.589 -8.111 1.00 10.00 C ATOM 628 CG ARG A 40 23.544 -1.647 -9.637 1.00 10.00 C ATOM 629 CD ARG A 40 22.099 -1.452 -10.101 1.00 10.00 C ATOM 630 NE ARG A 40 22.145 -1.610 -11.581 1.00 10.00 N ATOM 631 CZ ARG A 40 21.507 -0.768 -12.345 1.00 10.00 C ATOM 632 NH1 ARG A 40 20.206 -0.822 -12.432 1.00 10.00 N ATOM 633 NH2 ARG A 40 22.167 0.131 -13.021 1.00 10.00 N ATOM 0 H ARG A 40 23.400 -0.973 -5.813 1.00 10.00 H new ATOM 0 HA ARG A 40 25.218 -0.150 -7.849 1.00 10.00 H new ATOM 0 HB2 ARG A 40 24.232 -2.390 -7.729 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.604 -1.744 -7.695 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.182 -0.874 -10.065 1.00 10.00 H new ATOM 0 HG3 ARG A 40 23.925 -2.606 -9.990 1.00 10.00 H new ATOM 0 HD2 ARG A 40 21.436 -2.188 -9.646 1.00 10.00 H new ATOM 0 HD3 ARG A 40 21.724 -0.468 -9.821 1.00 10.00 H new ATOM 0 HE ARG A 40 22.675 -2.376 -11.997 1.00 10.00 H new ATOM 0 HH11 ARG A 40 19.688 -1.523 -11.902 1.00 10.00 H new ATOM 0 HH12 ARG A 40 19.707 -0.163 -13.030 1.00 10.00 H new ATOM 0 HH21 ARG A 40 23.184 0.176 -12.952 1.00 10.00 H new ATOM 0 HH22 ARG A 40 21.667 0.789 -13.618 1.00 10.00 H new ATOM 647 N LEU A 41 22.357 1.383 -7.961 1.00 10.00 N ATOM 648 CA LEU A 41 21.656 2.492 -8.669 1.00 10.00 C ATOM 649 C LEU A 41 22.468 3.784 -8.537 1.00 10.00 C ATOM 650 O LEU A 41 22.796 4.425 -9.515 1.00 10.00 O ATOM 651 CB LEU A 41 20.307 2.628 -7.962 1.00 10.00 C ATOM 652 CG LEU A 41 19.178 2.374 -8.962 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.872 2.122 -8.207 1.00 10.00 C ATOM 654 CD2 LEU A 41 19.015 3.598 -9.866 1.00 10.00 C ATOM 0 H LEU A 41 21.903 1.056 -7.108 1.00 10.00 H new ATOM 0 HA LEU A 41 21.533 2.296 -9.734 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.243 1.918 -7.138 1.00 10.00 H new ATOM 0 HB3 LEU A 41 20.209 3.625 -7.532 1.00 10.00 H new ATOM 0 HG LEU A 41 19.420 1.501 -9.569 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.068 1.941 -8.921 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.987 1.251 -7.562 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.629 2.994 -7.600 1.00 10.00 H new ATOM 0 HD21 LEU A 41 18.211 3.419 -10.580 1.00 10.00 H new ATOM 0 HD22 LEU A 41 18.773 4.470 -9.258 1.00 10.00 H new ATOM 0 HD23 LEU A 41 19.945 3.778 -10.405 1.00 10.00 H new ATOM 666 N ARG A 42 22.799 4.166 -7.334 1.00 10.00 N ATOM 667 CA ARG A 42 23.597 5.410 -7.139 1.00 10.00 C ATOM 668 C ARG A 42 24.913 5.314 -7.913 1.00 10.00 C ATOM 669 O ARG A 42 25.345 6.256 -8.547 1.00 10.00 O ATOM 670 CB ARG A 42 23.879 5.470 -5.637 1.00 10.00 C ATOM 671 CG ARG A 42 22.779 6.266 -4.932 1.00 10.00 C ATOM 672 CD ARG A 42 23.387 7.479 -4.215 1.00 10.00 C ATOM 673 NE ARG A 42 24.697 7.013 -3.669 1.00 10.00 N ATOM 674 CZ ARG A 42 24.792 5.854 -3.074 1.00 10.00 C ATOM 675 NH1 ARG A 42 24.127 5.625 -1.976 1.00 10.00 N ATOM 676 NH2 ARG A 42 25.558 4.924 -3.576 1.00 10.00 N ATOM 0 H ARG A 42 22.551 3.671 -6.477 1.00 10.00 H new ATOM 0 HA ARG A 42 23.071 6.296 -7.495 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.930 4.461 -5.227 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.848 5.936 -5.458 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.036 6.597 -5.658 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.262 5.630 -4.214 1.00 10.00 H new ATOM 0 HD2 ARG A 42 23.524 8.312 -4.904 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.733 7.830 -3.417 1.00 10.00 H new ATOM 0 HE ARG A 42 25.523 7.604 -3.761 1.00 10.00 H new ATOM 0 HH11 ARG A 42 23.531 6.352 -1.580 1.00 10.00 H new ATOM 0 HH12 ARG A 42 24.203 4.719 -1.513 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.082 5.102 -4.433 1.00 10.00 H new ATOM 0 HH22 ARG A 42 25.632 4.019 -3.112 1.00 10.00 H new ATOM 690 N GLU A 43 25.555 4.179 -7.855 1.00 10.00 N ATOM 691 CA GLU A 43 26.849 4.012 -8.575 1.00 10.00 C ATOM 692 C GLU A 43 26.641 3.250 -9.885 1.00 10.00 C ATOM 693 O GLU A 43 27.585 2.812 -10.509 1.00 10.00 O ATOM 694 CB GLU A 43 27.722 3.197 -7.621 1.00 10.00 C ATOM 695 CG GLU A 43 27.657 3.807 -6.220 1.00 10.00 C ATOM 696 CD GLU A 43 28.449 5.117 -6.194 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.394 5.229 -6.957 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.098 5.983 -5.411 1.00 10.00 O ATOM 0 H GLU A 43 25.238 3.358 -7.339 1.00 10.00 H new ATOM 0 HA GLU A 43 27.300 4.969 -8.836 1.00 10.00 H new ATOM 0 HB2 GLU A 43 27.381 2.162 -7.594 1.00 10.00 H new ATOM 0 HB3 GLU A 43 28.753 3.184 -7.976 1.00 10.00 H new ATOM 0 HG2 GLU A 43 26.620 3.992 -5.940 1.00 10.00 H new ATOM 0 HG3 GLU A 43 28.065 3.109 -5.489 1.00 10.00 H new ATOM 705 N ALA A 44 25.411 3.089 -10.303 1.00 10.00 N ATOM 706 CA ALA A 44 25.133 2.353 -11.577 1.00 10.00 C ATOM 707 C ALA A 44 26.370 2.321 -12.462 1.00 10.00 C ATOM 708 O ALA A 44 26.936 1.281 -12.732 1.00 10.00 O ATOM 709 CB ALA A 44 24.055 3.165 -12.286 1.00 10.00 C ATOM 0 H ALA A 44 24.584 3.436 -9.817 1.00 10.00 H new ATOM 0 HA ALA A 44 24.834 1.324 -11.376 1.00 10.00 H new ATOM 0 HB1 ALA A 44 23.800 2.685 -13.230 1.00 10.00 H new ATOM 0 HB2 ALA A 44 23.168 3.220 -11.656 1.00 10.00 H new ATOM 0 HB3 ALA A 44 24.426 4.171 -12.480 1.00 10.00 H new ATOM 715 N ARG A 45 26.775 3.466 -12.925 1.00 10.00 N ATOM 716 CA ARG A 45 27.959 3.541 -13.810 1.00 10.00 C ATOM 717 C ARG A 45 29.041 2.563 -13.344 1.00 10.00 C ATOM 718 O ARG A 45 29.062 2.143 -12.205 1.00 10.00 O ATOM 719 CB ARG A 45 28.435 4.982 -13.691 1.00 10.00 C ATOM 720 CG ARG A 45 27.821 5.789 -14.829 1.00 10.00 C ATOM 721 CD ARG A 45 28.877 6.702 -15.435 1.00 10.00 C ATOM 722 NE ARG A 45 29.394 7.506 -14.292 1.00 10.00 N ATOM 723 CZ ARG A 45 29.973 8.653 -14.513 1.00 10.00 C ATOM 724 NH1 ARG A 45 29.326 9.603 -15.133 1.00 10.00 N ATOM 725 NH2 ARG A 45 31.199 8.852 -14.114 1.00 10.00 N ATOM 0 H ARG A 45 26.330 4.361 -12.724 1.00 10.00 H new ATOM 0 HA ARG A 45 27.728 3.271 -14.840 1.00 10.00 H new ATOM 0 HB2 ARG A 45 28.141 5.400 -12.728 1.00 10.00 H new ATOM 0 HB3 ARG A 45 29.523 5.027 -13.739 1.00 10.00 H new ATOM 0 HG2 ARG A 45 27.425 5.118 -15.591 1.00 10.00 H new ATOM 0 HG3 ARG A 45 26.984 6.380 -14.458 1.00 10.00 H new ATOM 0 HD2 ARG A 45 29.674 6.126 -15.905 1.00 10.00 H new ATOM 0 HD3 ARG A 45 28.449 7.342 -16.206 1.00 10.00 H new ATOM 0 HE ARG A 45 29.295 7.159 -13.338 1.00 10.00 H new ATOM 0 HH11 ARG A 45 28.367 9.448 -15.445 1.00 10.00 H new ATOM 0 HH12 ARG A 45 29.779 10.500 -15.306 1.00 10.00 H new ATOM 0 HH21 ARG A 45 31.704 8.110 -13.629 1.00 10.00 H new ATOM 0 HH22 ARG A 45 31.652 9.749 -14.287 1.00 10.00 H new ATOM 739 N ARG A 46 29.939 2.196 -14.216 1.00 10.00 N ATOM 740 CA ARG A 46 31.015 1.243 -13.819 1.00 10.00 C ATOM 741 C ARG A 46 32.389 1.828 -14.151 1.00 10.00 C ATOM 742 O ARG A 46 33.199 1.938 -13.245 1.00 10.00 O ATOM 743 CB ARG A 46 30.752 -0.017 -14.645 1.00 10.00 C ATOM 744 CG ARG A 46 29.564 -0.778 -14.049 1.00 10.00 C ATOM 745 CD ARG A 46 29.698 -2.269 -14.369 1.00 10.00 C ATOM 746 NE ARG A 46 30.035 -2.324 -15.819 1.00 10.00 N ATOM 747 CZ ARG A 46 30.183 -3.476 -16.413 1.00 10.00 C ATOM 748 NH1 ARG A 46 29.576 -4.535 -15.948 1.00 10.00 N ATOM 749 NH2 ARG A 46 30.938 -3.571 -17.472 1.00 10.00 N ATOM 750 OXT ARG A 46 32.608 2.157 -15.306 1.00 10.00 O ATOM 0 H ARG A 46 29.975 2.514 -15.185 1.00 10.00 H new ATOM 0 HA ARG A 46 31.010 1.036 -12.749 1.00 10.00 H new ATOM 0 HB2 ARG A 46 30.544 0.251 -15.681 1.00 10.00 H new ATOM 0 HB3 ARG A 46 31.638 -0.652 -14.652 1.00 10.00 H new ATOM 0 HG2 ARG A 46 29.528 -0.629 -12.970 1.00 10.00 H new ATOM 0 HG3 ARG A 46 28.630 -0.391 -14.456 1.00 10.00 H new ATOM 0 HD2 ARG A 46 30.477 -2.734 -13.765 1.00 10.00 H new ATOM 0 HD3 ARG A 46 28.771 -2.803 -14.159 1.00 10.00 H new ATOM 0 HE ARG A 46 30.150 -1.460 -16.348 1.00 10.00 H new ATOM 0 HH11 ARG A 46 28.985 -4.462 -15.120 1.00 10.00 H new ATOM 0 HH12 ARG A 46 29.693 -5.435 -16.413 1.00 10.00 H new ATOM 0 HH21 ARG A 46 31.413 -2.745 -17.836 1.00 10.00 H new ATOM 0 HH22 ARG A 46 31.054 -4.472 -17.937 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -4.810 4.768 -1.294 1.00 10.00 N ATOM 766 CA HIS B 1 -6.065 5.513 -1.607 1.00 10.00 C ATOM 767 C HIS B 1 -7.066 4.590 -2.309 1.00 10.00 C ATOM 768 O HIS B 1 -7.847 3.910 -1.673 1.00 10.00 O ATOM 769 CB HIS B 1 -5.642 6.661 -2.536 1.00 10.00 C ATOM 770 CG HIS B 1 -4.262 6.407 -3.082 1.00 10.00 C ATOM 771 ND1 HIS B 1 -4.011 5.446 -4.049 1.00 10.00 N ATOM 772 CD2 HIS B 1 -3.046 6.983 -2.804 1.00 10.00 C ATOM 773 CE1 HIS B 1 -2.692 5.472 -4.314 1.00 10.00 C ATOM 774 NE2 HIS B 1 -2.057 6.391 -3.583 1.00 10.00 N ATOM 0 H1 HIS B 1 -4.096 5.429 -0.927 1.00 10.00 H new ATOM 0 H2 HIS B 1 -5.008 4.040 -0.578 1.00 10.00 H new ATOM 0 H3 HIS B 1 -4.450 4.315 -2.158 1.00 10.00 H new ATOM 0 HA HIS B 1 -6.553 5.887 -0.707 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -6.354 6.756 -3.356 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -5.657 7.604 -1.990 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -2.883 7.776 -2.089 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -2.206 4.827 -5.031 1.00 10.00 H new ATOM 0 HE2 HIS B 1 -1.061 6.612 -3.593 1.00 10.00 H new ATOM 784 N MET B 2 -7.053 4.559 -3.614 1.00 10.00 N ATOM 785 CA MET B 2 -8.007 3.678 -4.347 1.00 10.00 C ATOM 786 C MET B 2 -7.263 2.861 -5.408 1.00 10.00 C ATOM 787 O MET B 2 -6.738 3.397 -6.363 1.00 10.00 O ATOM 788 CB MET B 2 -9.003 4.635 -5.005 1.00 10.00 C ATOM 789 CG MET B 2 -10.428 4.135 -4.763 1.00 10.00 C ATOM 790 SD MET B 2 -11.574 5.534 -4.826 1.00 10.00 S ATOM 791 CE MET B 2 -11.882 5.659 -3.047 1.00 10.00 C ATOM 0 H MET B 2 -6.424 5.105 -4.204 1.00 10.00 H new ATOM 0 HA MET B 2 -8.502 2.965 -3.688 1.00 10.00 H new ATOM 0 HB2 MET B 2 -8.884 5.638 -4.596 1.00 10.00 H new ATOM 0 HB3 MET B 2 -8.807 4.702 -6.075 1.00 10.00 H new ATOM 0 HG2 MET B 2 -10.698 3.395 -5.516 1.00 10.00 H new ATOM 0 HG3 MET B 2 -10.492 3.641 -3.793 1.00 10.00 H new ATOM 0 HE1 MET B 2 -12.578 6.476 -2.855 1.00 10.00 H new ATOM 0 HE2 MET B 2 -12.311 4.724 -2.685 1.00 10.00 H new ATOM 0 HE3 MET B 2 -10.943 5.852 -2.528 1.00 10.00 H new ATOM 801 N GLY B 3 -7.216 1.566 -5.246 1.00 10.00 N ATOM 802 CA GLY B 3 -6.505 0.717 -6.244 1.00 10.00 C ATOM 803 C GLY B 3 -6.256 -0.670 -5.651 1.00 10.00 C ATOM 804 O GLY B 3 -7.073 -1.204 -4.928 1.00 10.00 O ATOM 0 H GLY B 3 -7.638 1.060 -4.467 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -7.099 0.633 -7.154 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -5.558 1.180 -6.522 1.00 10.00 H new ATOM 808 N HIS B 4 -5.131 -1.260 -5.954 1.00 10.00 N ATOM 809 CA HIS B 4 -4.830 -2.614 -5.408 1.00 10.00 C ATOM 810 C HIS B 4 -3.318 -2.860 -5.412 1.00 10.00 C ATOM 811 O HIS B 4 -2.612 -2.427 -6.299 1.00 10.00 O ATOM 812 CB HIS B 4 -5.536 -3.587 -6.353 1.00 10.00 C ATOM 813 CG HIS B 4 -5.281 -3.179 -7.779 1.00 10.00 C ATOM 814 ND1 HIS B 4 -5.850 -2.044 -8.335 1.00 10.00 N ATOM 815 CD2 HIS B 4 -4.521 -3.744 -8.773 1.00 10.00 C ATOM 816 CE1 HIS B 4 -5.428 -1.963 -9.610 1.00 10.00 C ATOM 817 NE2 HIS B 4 -4.616 -2.974 -9.929 1.00 10.00 N ATOM 0 H HIS B 4 -4.409 -0.863 -6.555 1.00 10.00 H new ATOM 0 HA HIS B 4 -5.167 -2.730 -4.378 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -5.174 -4.601 -6.184 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -6.607 -3.593 -6.152 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -3.938 -4.648 -8.673 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -5.712 -1.176 -10.293 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -4.163 -3.145 -10.827 1.00 10.00 H new ATOM 825 N ILE B 5 -2.819 -3.552 -4.425 1.00 10.00 N ATOM 826 CA ILE B 5 -1.353 -3.824 -4.372 1.00 10.00 C ATOM 827 C ILE B 5 -1.101 -5.277 -3.954 1.00 10.00 C ATOM 828 O ILE B 5 -2.009 -5.989 -3.573 1.00 10.00 O ATOM 829 CB ILE B 5 -0.807 -2.843 -3.327 1.00 10.00 C ATOM 830 CG1 ILE B 5 0.475 -2.198 -3.859 1.00 10.00 C ATOM 831 CG2 ILE B 5 -0.502 -3.579 -2.020 1.00 10.00 C ATOM 832 CD1 ILE B 5 0.121 -1.165 -4.930 1.00 10.00 C ATOM 0 H ILE B 5 -3.361 -3.941 -3.654 1.00 10.00 H new ATOM 0 HA ILE B 5 -0.867 -3.691 -5.338 1.00 10.00 H new ATOM 0 HB ILE B 5 -1.556 -2.074 -3.135 1.00 10.00 H new ATOM 0 HG12 ILE B 5 1.019 -1.721 -3.044 1.00 10.00 H new ATOM 0 HG13 ILE B 5 1.132 -2.961 -4.277 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -0.115 -2.872 -1.286 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -1.415 -4.035 -1.638 1.00 10.00 H new ATOM 0 HG23 ILE B 5 0.242 -4.354 -2.204 1.00 10.00 H new ATOM 0 HD11 ILE B 5 1.034 -0.706 -5.309 1.00 10.00 H new ATOM 0 HD12 ILE B 5 -0.405 -1.656 -5.749 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -0.519 -0.396 -4.497 1.00 10.00 H new ATOM 844 N GLN B 6 0.125 -5.721 -4.024 1.00 10.00 N ATOM 845 CA GLN B 6 0.429 -7.128 -3.631 1.00 10.00 C ATOM 846 C GLN B 6 1.839 -7.220 -3.041 1.00 10.00 C ATOM 847 O GLN B 6 2.728 -7.813 -3.621 1.00 10.00 O ATOM 848 CB GLN B 6 0.336 -7.929 -4.929 1.00 10.00 C ATOM 849 CG GLN B 6 -0.622 -9.106 -4.733 1.00 10.00 C ATOM 850 CD GLN B 6 -0.777 -9.864 -6.053 1.00 10.00 C ATOM 851 OE1 GLN B 6 -1.054 -9.274 -7.078 1.00 10.00 O ATOM 852 NE2 GLN B 6 -0.609 -11.158 -6.070 1.00 10.00 N ATOM 0 H GLN B 6 0.927 -5.173 -4.335 1.00 10.00 H new ATOM 0 HA GLN B 6 -0.257 -7.503 -2.871 1.00 10.00 H new ATOM 0 HB2 GLN B 6 -0.016 -7.290 -5.739 1.00 10.00 H new ATOM 0 HB3 GLN B 6 1.323 -8.293 -5.216 1.00 10.00 H new ATOM 0 HG2 GLN B 6 -0.241 -9.774 -3.961 1.00 10.00 H new ATOM 0 HG3 GLN B 6 -1.593 -8.746 -4.392 1.00 10.00 H new ATOM 0 HE21 GLN B 6 -0.376 -11.653 -5.209 1.00 10.00 H new ATOM 0 HE22 GLN B 6 -0.710 -11.674 -6.944 1.00 10.00 H new ATOM 861 N ILE B 7 2.052 -6.640 -1.892 1.00 10.00 N ATOM 862 CA ILE B 7 3.405 -6.698 -1.265 1.00 10.00 C ATOM 863 C ILE B 7 3.582 -8.026 -0.519 1.00 10.00 C ATOM 864 O ILE B 7 2.708 -8.450 0.211 1.00 10.00 O ATOM 865 CB ILE B 7 3.439 -5.514 -0.295 1.00 10.00 C ATOM 866 CG1 ILE B 7 3.892 -4.255 -1.040 1.00 10.00 C ATOM 867 CG2 ILE B 7 4.419 -5.803 0.845 1.00 10.00 C ATOM 868 CD1 ILE B 7 3.172 -4.165 -2.386 1.00 10.00 C ATOM 0 H ILE B 7 1.349 -6.128 -1.359 1.00 10.00 H new ATOM 0 HA ILE B 7 4.210 -6.642 -1.998 1.00 10.00 H new ATOM 0 HB ILE B 7 2.441 -5.361 0.115 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.677 -3.370 -0.442 1.00 10.00 H new ATOM 0 HG13 ILE B 7 4.971 -4.281 -1.195 1.00 10.00 H new ATOM 0 HG21 ILE B 7 4.438 -4.957 1.532 1.00 10.00 H new ATOM 0 HG22 ILE B 7 4.101 -6.697 1.381 1.00 10.00 H new ATOM 0 HG23 ILE B 7 5.417 -5.961 0.436 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.497 -3.268 -2.913 1.00 10.00 H new ATOM 0 HD12 ILE B 7 3.409 -5.044 -2.985 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.096 -4.119 -2.220 1.00 10.00 H new ATOM 880 N PRO B 8 4.716 -8.637 -0.733 1.00 10.00 N ATOM 881 CA PRO B 8 5.023 -9.931 -0.077 1.00 10.00 C ATOM 882 C PRO B 8 5.273 -9.735 1.420 1.00 10.00 C ATOM 883 O PRO B 8 5.521 -8.634 1.870 1.00 10.00 O ATOM 884 CB PRO B 8 6.285 -10.403 -0.783 1.00 10.00 C ATOM 885 CG PRO B 8 6.919 -9.158 -1.293 1.00 10.00 C ATOM 886 CD PRO B 8 5.810 -8.187 -1.595 1.00 10.00 C ATOM 0 HA PRO B 8 4.206 -10.649 -0.152 1.00 10.00 H new ATOM 0 HB2 PRO B 8 6.947 -10.933 -0.098 1.00 10.00 H new ATOM 0 HB3 PRO B 8 6.051 -11.090 -1.596 1.00 10.00 H new ATOM 0 HG2 PRO B 8 7.603 -8.743 -0.553 1.00 10.00 H new ATOM 0 HG3 PRO B 8 7.505 -9.364 -2.189 1.00 10.00 H new ATOM 0 HD2 PRO B 8 6.102 -7.161 -1.370 1.00 10.00 H new ATOM 0 HD3 PRO B 8 5.529 -8.214 -2.648 1.00 10.00 H new ATOM 894 N PRO B 9 5.198 -10.819 2.142 1.00 10.00 N ATOM 895 CA PRO B 9 5.418 -10.777 3.607 1.00 10.00 C ATOM 896 C PRO B 9 6.907 -10.600 3.920 1.00 10.00 C ATOM 897 O PRO B 9 7.759 -10.864 3.095 1.00 10.00 O ATOM 898 CB PRO B 9 4.922 -12.138 4.083 1.00 10.00 C ATOM 899 CG PRO B 9 5.048 -13.036 2.893 1.00 10.00 C ATOM 900 CD PRO B 9 4.904 -12.174 1.664 1.00 10.00 C ATOM 0 HA PRO B 9 4.905 -9.947 4.093 1.00 10.00 H new ATOM 0 HB2 PRO B 9 5.518 -12.505 4.919 1.00 10.00 H new ATOM 0 HB3 PRO B 9 3.889 -12.083 4.428 1.00 10.00 H new ATOM 0 HG2 PRO B 9 6.012 -13.544 2.895 1.00 10.00 H new ATOM 0 HG3 PRO B 9 4.280 -13.809 2.912 1.00 10.00 H new ATOM 0 HD2 PRO B 9 5.597 -12.479 0.880 1.00 10.00 H new ATOM 0 HD3 PRO B 9 3.900 -12.240 1.246 1.00 10.00 H new ATOM 908 N GLY B 10 7.227 -10.158 5.105 1.00 10.00 N ATOM 909 CA GLY B 10 8.659 -9.966 5.467 1.00 10.00 C ATOM 910 C GLY B 10 9.118 -8.575 5.030 1.00 10.00 C ATOM 911 O GLY B 10 9.907 -7.933 5.695 1.00 10.00 O ATOM 0 H GLY B 10 6.558 -9.922 5.838 1.00 10.00 H new ATOM 0 HA2 GLY B 10 8.791 -10.082 6.543 1.00 10.00 H new ATOM 0 HA3 GLY B 10 9.271 -10.729 4.987 1.00 10.00 H new ATOM 915 N LEU B 11 8.631 -8.100 3.916 1.00 10.00 N ATOM 916 CA LEU B 11 9.044 -6.749 3.441 1.00 10.00 C ATOM 917 C LEU B 11 8.305 -5.667 4.230 1.00 10.00 C ATOM 918 O LEU B 11 8.853 -4.629 4.540 1.00 10.00 O ATOM 919 CB LEU B 11 8.642 -6.702 1.965 1.00 10.00 C ATOM 920 CG LEU B 11 9.376 -7.793 1.172 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.886 -7.202 -0.143 1.00 10.00 C ATOM 922 CD2 LEU B 11 10.568 -8.329 1.975 1.00 10.00 C ATOM 0 H LEU B 11 7.966 -8.588 3.315 1.00 10.00 H new ATOM 0 HA LEU B 11 10.111 -6.573 3.576 1.00 10.00 H new ATOM 0 HB2 LEU B 11 7.565 -6.839 1.871 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.877 -5.722 1.549 1.00 10.00 H new ATOM 0 HG LEU B 11 8.683 -8.611 0.975 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.408 -7.973 -0.710 1.00 10.00 H new ATOM 0 HD12 LEU B 11 9.043 -6.831 -0.726 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.571 -6.381 0.069 1.00 10.00 H new ATOM 0 HD21 LEU B 11 11.077 -9.101 1.399 1.00 10.00 H new ATOM 0 HD22 LEU B 11 11.262 -7.515 2.183 1.00 10.00 H new ATOM 0 HD23 LEU B 11 10.213 -8.752 2.915 1.00 10.00 H new ATOM 934 N THR B 12 7.063 -5.902 4.557 1.00 10.00 N ATOM 935 CA THR B 12 6.292 -4.886 5.328 1.00 10.00 C ATOM 936 C THR B 12 7.171 -4.279 6.422 1.00 10.00 C ATOM 937 O THR B 12 7.630 -3.160 6.314 1.00 10.00 O ATOM 938 CB THR B 12 5.124 -5.658 5.942 1.00 10.00 C ATOM 939 OG1 THR B 12 4.195 -5.997 4.922 1.00 10.00 O ATOM 940 CG2 THR B 12 4.433 -4.790 6.996 1.00 10.00 C ATOM 0 H THR B 12 6.550 -6.752 4.324 1.00 10.00 H new ATOM 0 HA THR B 12 5.950 -4.062 4.702 1.00 10.00 H new ATOM 0 HB THR B 12 5.497 -6.568 6.412 1.00 10.00 H new ATOM 0 HG1 THR B 12 3.446 -6.494 5.313 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.601 -5.342 7.433 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.146 -4.530 7.778 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.059 -3.879 6.529 1.00 10.00 H new ATOM 948 N GLU B 13 7.404 -5.014 7.473 1.00 10.00 N ATOM 949 CA GLU B 13 8.253 -4.493 8.585 1.00 10.00 C ATOM 950 C GLU B 13 9.382 -3.619 8.028 1.00 10.00 C ATOM 951 O GLU B 13 9.578 -2.498 8.455 1.00 10.00 O ATOM 952 CB GLU B 13 8.823 -5.741 9.263 1.00 10.00 C ATOM 953 CG GLU B 13 10.053 -5.360 10.090 1.00 10.00 C ATOM 954 CD GLU B 13 10.511 -6.567 10.910 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.717 -7.062 11.695 1.00 10.00 O ATOM 956 OE2 GLU B 13 11.648 -6.978 10.741 1.00 10.00 O ATOM 0 H GLU B 13 7.042 -5.957 7.612 1.00 10.00 H new ATOM 0 HA GLU B 13 7.688 -3.872 9.280 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.068 -6.196 9.904 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.093 -6.484 8.512 1.00 10.00 H new ATOM 0 HG2 GLU B 13 10.857 -5.027 9.433 1.00 10.00 H new ATOM 0 HG3 GLU B 13 9.816 -4.527 10.751 1.00 10.00 H new ATOM 963 N LEU B 14 10.123 -4.121 7.079 1.00 10.00 N ATOM 964 CA LEU B 14 11.234 -3.314 6.498 1.00 10.00 C ATOM 965 C LEU B 14 10.667 -2.117 5.730 1.00 10.00 C ATOM 966 O LEU B 14 10.878 -0.978 6.093 1.00 10.00 O ATOM 967 CB LEU B 14 11.966 -4.262 5.546 1.00 10.00 C ATOM 968 CG LEU B 14 13.048 -5.029 6.310 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.952 -5.758 5.316 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.887 -4.049 7.133 1.00 10.00 C ATOM 0 H LEU B 14 10.008 -5.053 6.681 1.00 10.00 H new ATOM 0 HA LEU B 14 11.900 -2.918 7.265 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.259 -4.961 5.099 1.00 10.00 H new ATOM 0 HB3 LEU B 14 12.416 -3.697 4.729 1.00 10.00 H new ATOM 0 HG LEU B 14 12.577 -5.752 6.976 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.723 -6.305 5.859 1.00 10.00 H new ATOM 0 HD12 LEU B 14 13.357 -6.457 4.728 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.421 -5.033 4.651 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.657 -4.597 7.676 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.358 -3.325 6.468 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.245 -3.526 7.842 1.00 10.00 H new ATOM 982 N LEU B 15 9.946 -2.369 4.671 1.00 10.00 N ATOM 983 CA LEU B 15 9.364 -1.245 3.883 1.00 10.00 C ATOM 984 C LEU B 15 8.606 -0.290 4.809 1.00 10.00 C ATOM 985 O LEU B 15 8.897 0.887 4.874 1.00 10.00 O ATOM 986 CB LEU B 15 8.410 -1.907 2.890 1.00 10.00 C ATOM 987 CG LEU B 15 9.195 -2.856 1.982 1.00 10.00 C ATOM 988 CD1 LEU B 15 8.318 -3.278 0.803 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.443 -2.141 1.456 1.00 10.00 C ATOM 0 H LEU B 15 9.735 -3.302 4.318 1.00 10.00 H new ATOM 0 HA LEU B 15 10.128 -0.655 3.377 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.635 -2.456 3.425 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.907 -1.148 2.292 1.00 10.00 H new ATOM 0 HG LEU B 15 9.491 -3.739 2.549 1.00 10.00 H new ATOM 0 HD11 LEU B 15 8.878 -3.954 0.157 1.00 10.00 H new ATOM 0 HD12 LEU B 15 7.428 -3.786 1.175 1.00 10.00 H new ATOM 0 HD13 LEU B 15 8.022 -2.396 0.236 1.00 10.00 H new ATOM 0 HD21 LEU B 15 11.003 -2.816 0.809 1.00 10.00 H new ATOM 0 HD22 LEU B 15 10.145 -1.259 0.889 1.00 10.00 H new ATOM 0 HD23 LEU B 15 11.070 -1.839 2.295 1.00 10.00 H new ATOM 1001 N GLN B 16 7.637 -0.788 5.530 1.00 10.00 N ATOM 1002 CA GLN B 16 6.871 0.097 6.454 1.00 10.00 C ATOM 1003 C GLN B 16 7.835 1.013 7.210 1.00 10.00 C ATOM 1004 O GLN B 16 7.732 2.222 7.153 1.00 10.00 O ATOM 1005 CB GLN B 16 6.160 -0.851 7.419 1.00 10.00 C ATOM 1006 CG GLN B 16 4.694 -0.438 7.557 1.00 10.00 C ATOM 1007 CD GLN B 16 3.927 -1.528 8.307 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.445 -2.603 8.538 1.00 10.00 O ATOM 1009 NE2 GLN B 16 2.704 -1.296 8.701 1.00 10.00 N ATOM 0 H GLN B 16 7.344 -1.765 5.519 1.00 10.00 H new ATOM 0 HA GLN B 16 6.164 0.738 5.927 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.227 -1.876 7.053 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.648 -0.828 8.393 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.620 0.508 8.093 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.255 -0.281 6.572 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.268 -0.394 8.508 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.184 -2.017 9.202 1.00 10.00 H new ATOM 1018 N GLY B 17 8.779 0.448 7.912 1.00 10.00 N ATOM 1019 CA GLY B 17 9.750 1.294 8.659 1.00 10.00 C ATOM 1020 C GLY B 17 10.275 2.382 7.724 1.00 10.00 C ATOM 1021 O GLY B 17 10.290 3.549 8.060 1.00 10.00 O ATOM 0 H GLY B 17 8.919 -0.559 8.000 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.269 1.743 9.528 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.574 0.685 9.030 1.00 10.00 H new ATOM 1025 N TYR B 18 10.699 2.005 6.546 1.00 10.00 N ATOM 1026 CA TYR B 18 11.216 3.010 5.577 1.00 10.00 C ATOM 1027 C TYR B 18 10.375 4.285 5.642 1.00 10.00 C ATOM 1028 O TYR B 18 10.866 5.351 5.956 1.00 10.00 O ATOM 1029 CB TYR B 18 11.073 2.345 4.209 1.00 10.00 C ATOM 1030 CG TYR B 18 12.246 2.727 3.344 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.538 2.722 3.882 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.045 3.092 2.008 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.630 3.079 3.083 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.136 3.452 1.209 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.429 3.445 1.747 1.00 10.00 C ATOM 1036 OH TYR B 18 15.503 3.801 0.961 1.00 10.00 O ATOM 0 H TYR B 18 10.709 1.040 6.214 1.00 10.00 H new ATOM 0 HA TYR B 18 12.246 3.297 5.787 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.027 1.262 4.322 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.141 2.656 3.736 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.692 2.443 4.914 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.048 3.096 1.594 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.627 3.072 3.497 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.981 3.735 0.178 1.00 10.00 H new ATOM 0 HH TYR B 18 15.465 4.762 0.771 1.00 10.00 H new ATOM 1046 N THR B 19 9.108 4.183 5.353 1.00 10.00 N ATOM 1047 CA THR B 19 8.235 5.388 5.403 1.00 10.00 C ATOM 1048 C THR B 19 8.418 6.105 6.744 1.00 10.00 C ATOM 1049 O THR B 19 8.554 7.308 6.802 1.00 10.00 O ATOM 1050 CB THR B 19 6.807 4.849 5.243 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.230 5.396 4.066 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.948 5.233 6.453 1.00 10.00 C ATOM 0 H THR B 19 8.640 3.318 5.084 1.00 10.00 H new ATOM 0 HA THR B 19 8.471 6.116 4.627 1.00 10.00 H new ATOM 0 HB THR B 19 6.847 3.762 5.171 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.387 4.937 3.871 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.939 4.842 6.322 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.385 4.812 7.358 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.908 6.319 6.541 1.00 10.00 H new ATOM 1060 N VAL B 20 8.424 5.369 7.823 1.00 10.00 N ATOM 1061 CA VAL B 20 8.600 6.007 9.160 1.00 10.00 C ATOM 1062 C VAL B 20 9.952 6.722 9.234 1.00 10.00 C ATOM 1063 O VAL B 20 10.122 7.675 9.968 1.00 10.00 O ATOM 1064 CB VAL B 20 8.553 4.851 10.159 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.380 5.405 11.575 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.375 3.934 9.824 1.00 10.00 C ATOM 0 H VAL B 20 8.315 4.355 7.837 1.00 10.00 H new ATOM 0 HA VAL B 20 7.834 6.755 9.363 1.00 10.00 H new ATOM 0 HB VAL B 20 9.483 4.285 10.101 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.347 4.580 12.287 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.219 6.058 11.815 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.451 5.972 11.633 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.342 3.110 10.536 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.445 4.500 9.881 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.498 3.538 8.816 1.00 10.00 H new ATOM 1076 N GLU B 21 10.914 6.270 8.477 1.00 10.00 N ATOM 1077 CA GLU B 21 12.256 6.927 8.506 1.00 10.00 C ATOM 1078 C GLU B 21 12.291 8.076 7.503 1.00 10.00 C ATOM 1079 O GLU B 21 12.589 9.206 7.837 1.00 10.00 O ATOM 1080 CB GLU B 21 13.265 5.851 8.092 1.00 10.00 C ATOM 1081 CG GLU B 21 12.677 4.464 8.328 1.00 10.00 C ATOM 1082 CD GLU B 21 13.795 3.491 8.706 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.925 3.935 8.823 1.00 10.00 O ATOM 1084 OE2 GLU B 21 13.501 2.319 8.872 1.00 10.00 O ATOM 0 H GLU B 21 10.832 5.477 7.841 1.00 10.00 H new ATOM 0 HA GLU B 21 12.481 7.332 9.493 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.525 5.970 7.040 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.186 5.966 8.663 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.932 4.504 9.123 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.167 4.116 7.430 1.00 10.00 H new ATOM 1091 N VAL B 22 11.994 7.786 6.269 1.00 10.00 N ATOM 1092 CA VAL B 22 12.012 8.844 5.223 1.00 10.00 C ATOM 1093 C VAL B 22 11.058 9.983 5.599 1.00 10.00 C ATOM 1094 O VAL B 22 11.180 11.088 5.111 1.00 10.00 O ATOM 1095 CB VAL B 22 11.547 8.145 3.945 1.00 10.00 C ATOM 1096 CG1 VAL B 22 11.962 8.976 2.736 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.198 6.762 3.845 1.00 10.00 C ATOM 0 H VAL B 22 11.738 6.856 5.938 1.00 10.00 H new ATOM 0 HA VAL B 22 12.999 9.291 5.105 1.00 10.00 H new ATOM 0 HB VAL B 22 10.463 8.037 3.969 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.632 8.480 1.823 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.504 9.963 2.799 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.047 9.079 2.721 1.00 10.00 H new ATOM 0 HG21 VAL B 22 11.864 6.268 2.933 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.282 6.871 3.822 1.00 10.00 H new ATOM 0 HG23 VAL B 22 11.912 6.162 4.709 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.116 9.727 6.466 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.167 10.806 6.870 1.00 10.00 C ATOM 1109 C LEU B 23B 9.769 11.626 8.013 1.00 10.00 C ATOM 1110 O LEU B 23B 9.753 12.842 7.994 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.905 10.082 7.341 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.864 10.087 6.222 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 7.406 9.324 5.013 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 5.582 9.412 6.717 1.00 10.00 C ATOM 0 H LEU B 23B 9.962 8.822 6.911 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.954 11.495 6.052 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 8.145 9.057 7.623 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.503 10.571 8.228 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.648 11.116 5.933 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 6.662 9.329 4.216 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 8.319 9.803 4.660 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 7.624 8.295 5.300 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 4.838 9.415 5.920 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.800 8.384 7.006 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 5.193 9.956 7.578 1.00 10.00 H new ATOM 1126 N ARG B 24 10.300 10.970 9.009 1.00 10.00 N ATOM 1127 CA ARG B 24 10.904 11.712 10.151 1.00 10.00 C ATOM 1128 C ARG B 24 12.169 12.447 9.695 1.00 10.00 C ATOM 1129 O ARG B 24 12.301 13.642 9.870 1.00 10.00 O ATOM 1130 CB ARG B 24 11.252 10.636 11.180 1.00 10.00 C ATOM 1131 CG ARG B 24 10.293 10.736 12.369 1.00 10.00 C ATOM 1132 CD ARG B 24 8.872 10.402 11.908 1.00 10.00 C ATOM 1133 NE ARG B 24 8.131 10.074 13.159 1.00 10.00 N ATOM 1134 CZ ARG B 24 8.366 8.952 13.785 1.00 10.00 C ATOM 1135 NH1 ARG B 24 9.041 8.002 13.197 1.00 10.00 N ATOM 1136 NH2 ARG B 24 7.926 8.781 15.001 1.00 10.00 N ATOM 0 H ARG B 24 10.341 9.953 9.081 1.00 10.00 H new ATOM 0 HA ARG B 24 10.229 12.465 10.559 1.00 10.00 H new ATOM 0 HB2 ARG B 24 11.183 9.648 10.726 1.00 10.00 H new ATOM 0 HB3 ARG B 24 12.281 10.760 11.518 1.00 10.00 H new ATOM 0 HG2 ARG B 24 10.602 10.050 13.158 1.00 10.00 H new ATOM 0 HG3 ARG B 24 10.323 11.741 12.791 1.00 10.00 H new ATOM 0 HD2 ARG B 24 8.417 11.245 11.388 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.869 9.561 11.215 1.00 10.00 H new ATOM 0 HE ARG B 24 7.439 10.727 13.527 1.00 10.00 H new ATOM 0 HH11 ARG B 24 9.386 8.135 12.246 1.00 10.00 H new ATOM 0 HH12 ARG B 24 9.223 7.127 13.688 1.00 10.00 H new ATOM 0 HH21 ARG B 24 7.399 9.523 15.462 1.00 10.00 H new ATOM 0 HH22 ARG B 24 8.109 7.905 15.491 1.00 10.00 H new ATOM 1150 N GLN B 25 13.099 11.741 9.111 1.00 10.00 N ATOM 1151 CA GLN B 25 14.352 12.400 8.647 1.00 10.00 C ATOM 1152 C GLN B 25 14.099 13.156 7.340 1.00 10.00 C ATOM 1153 O GLN B 25 14.751 14.137 7.043 1.00 10.00 O ATOM 1154 CB GLN B 25 15.344 11.258 8.422 1.00 10.00 C ATOM 1155 CG GLN B 25 15.369 10.344 9.650 1.00 10.00 C ATOM 1156 CD GLN B 25 16.513 10.762 10.576 1.00 10.00 C ATOM 1157 OE1 GLN B 25 16.790 11.936 10.726 1.00 10.00 O ATOM 1158 NE2 GLN B 25 17.194 9.845 11.207 1.00 10.00 N ATOM 0 H GLN B 25 13.045 10.738 8.936 1.00 10.00 H new ATOM 0 HA GLN B 25 14.726 13.127 9.368 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.061 10.687 7.538 1.00 10.00 H new ATOM 0 HB3 GLN B 25 16.340 11.660 8.236 1.00 10.00 H new ATOM 0 HG2 GLN B 25 14.418 10.403 10.180 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.498 9.307 9.341 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.961 8.860 11.081 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.959 10.113 11.826 1.00 10.00 H new ATOM 1167 N GLN B 26 13.157 12.704 6.556 1.00 10.00 N ATOM 1168 CA GLN B 26 12.859 13.391 5.266 1.00 10.00 C ATOM 1169 C GLN B 26 14.156 13.868 4.607 1.00 10.00 C ATOM 1170 O GLN B 26 14.426 15.051 4.547 1.00 10.00 O ATOM 1171 CB GLN B 26 11.976 14.582 5.641 1.00 10.00 C ATOM 1172 CG GLN B 26 10.722 14.578 4.766 1.00 10.00 C ATOM 1173 CD GLN B 26 9.871 15.809 5.080 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.322 16.719 5.748 1.00 10.00 O ATOM 1175 NE2 GLN B 26 8.650 15.876 4.625 1.00 10.00 N ATOM 0 H GLN B 26 12.580 11.887 6.754 1.00 10.00 H new ATOM 0 HA GLN B 26 12.366 12.730 4.553 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.699 14.526 6.694 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.525 15.514 5.505 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.002 14.576 3.713 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.145 13.670 4.944 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.272 15.112 4.065 1.00 10.00 H new ATOM 0 HE22 GLN B 26 8.074 16.692 4.830 1.00 10.00 H new ATOM 1184 N PRO B 27 14.917 12.920 4.134 1.00 10.00 N ATOM 1185 CA PRO B 27 16.205 13.230 3.469 1.00 10.00 C ATOM 1186 C PRO B 27 15.963 13.911 2.119 1.00 10.00 C ATOM 1187 O PRO B 27 14.868 13.877 1.595 1.00 10.00 O ATOM 1188 CB PRO B 27 16.849 11.859 3.278 1.00 10.00 C ATOM 1189 CG PRO B 27 15.703 10.901 3.264 1.00 10.00 C ATOM 1190 CD PRO B 27 14.654 11.480 4.173 1.00 10.00 C ATOM 0 HA PRO B 27 16.829 13.913 4.045 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.415 11.813 2.347 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.545 11.632 4.086 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.314 10.775 2.253 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.016 9.916 3.610 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.648 11.247 3.823 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.739 11.085 5.185 1.00 10.00 H new ATOM 1198 N PRO B 28 17.003 14.505 1.602 1.00 10.00 N ATOM 1199 CA PRO B 28 16.915 15.200 0.297 1.00 10.00 C ATOM 1200 C PRO B 28 16.732 14.185 -0.834 1.00 10.00 C ATOM 1201 O PRO B 28 15.984 14.404 -1.765 1.00 10.00 O ATOM 1202 CB PRO B 28 18.257 15.917 0.179 1.00 10.00 C ATOM 1203 CG PRO B 28 19.183 15.129 1.048 1.00 10.00 C ATOM 1204 CD PRO B 28 18.348 14.584 2.176 1.00 10.00 C ATOM 0 HA PRO B 28 16.069 15.884 0.230 1.00 10.00 H new ATOM 0 HB2 PRO B 28 18.605 15.939 -0.854 1.00 10.00 H new ATOM 0 HB3 PRO B 28 18.184 16.952 0.513 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.650 14.321 0.485 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.987 15.758 1.429 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.703 13.606 2.501 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.374 15.239 3.047 1.00 10.00 H new ATOM 1212 N ASP B 29 17.411 13.072 -0.755 1.00 10.00 N ATOM 1213 CA ASP B 29 17.274 12.037 -1.821 1.00 10.00 C ATOM 1214 C ASP B 29 16.933 10.683 -1.192 1.00 10.00 C ATOM 1215 O ASP B 29 17.337 10.384 -0.087 1.00 10.00 O ATOM 1216 CB ASP B 29 18.642 11.987 -2.503 1.00 10.00 C ATOM 1217 CG ASP B 29 18.838 13.248 -3.345 1.00 10.00 C ATOM 1218 OD1 ASP B 29 17.868 13.700 -3.932 1.00 10.00 O ATOM 1219 OD2 ASP B 29 19.952 13.742 -3.388 1.00 10.00 O ATOM 0 H ASP B 29 18.054 12.835 0.001 1.00 10.00 H new ATOM 0 HA ASP B 29 16.478 12.270 -2.529 1.00 10.00 H new ATOM 0 HB2 ASP B 29 19.431 11.910 -1.755 1.00 10.00 H new ATOM 0 HB3 ASP B 29 18.714 11.101 -3.134 1.00 10.00 H new ATOM 1224 N LEU B 30 16.188 9.865 -1.883 1.00 10.00 N ATOM 1225 CA LEU B 30 15.818 8.535 -1.316 1.00 10.00 C ATOM 1226 C LEU B 30 16.869 7.487 -1.694 1.00 10.00 C ATOM 1227 O LEU B 30 17.445 6.843 -0.839 1.00 10.00 O ATOM 1228 CB LEU B 30 14.462 8.204 -1.950 1.00 10.00 C ATOM 1229 CG LEU B 30 13.625 7.316 -1.015 1.00 10.00 C ATOM 1230 CD1 LEU B 30 13.851 5.848 -1.370 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.025 7.553 0.444 1.00 10.00 C ATOM 0 H LEU B 30 15.819 10.058 -2.814 1.00 10.00 H new ATOM 0 HA LEU B 30 15.766 8.544 -0.227 1.00 10.00 H new ATOM 0 HB2 LEU B 30 13.921 9.126 -2.164 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.615 7.695 -2.902 1.00 10.00 H new ATOM 0 HG LEU B 30 12.572 7.569 -1.139 1.00 10.00 H new ATOM 0 HD11 LEU B 30 13.258 5.218 -0.707 1.00 10.00 H new ATOM 0 HD12 LEU B 30 13.550 5.673 -2.403 1.00 10.00 H new ATOM 0 HD13 LEU B 30 14.907 5.604 -1.254 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.424 6.917 1.094 1.00 10.00 H new ATOM 0 HD22 LEU B 30 15.080 7.312 0.576 1.00 10.00 H new ATOM 0 HD23 LEU B 30 13.856 8.598 0.702 1.00 10.00 H new ATOM 1243 N VAL B 31 17.125 7.317 -2.964 1.00 10.00 N ATOM 1244 CA VAL B 31 18.148 6.315 -3.392 1.00 10.00 C ATOM 1245 C VAL B 31 19.279 6.263 -2.372 1.00 10.00 C ATOM 1246 O VAL B 31 19.563 5.239 -1.782 1.00 10.00 O ATOM 1247 CB VAL B 31 18.685 6.837 -4.723 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.567 5.768 -5.370 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.519 7.166 -5.655 1.00 10.00 C ATOM 0 H VAL B 31 16.672 7.827 -3.723 1.00 10.00 H new ATOM 0 HA VAL B 31 17.729 5.313 -3.478 1.00 10.00 H new ATOM 0 HB VAL B 31 19.272 7.738 -4.547 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.951 6.139 -6.320 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.401 5.535 -4.708 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.979 4.867 -5.544 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.905 7.538 -6.604 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.929 6.267 -5.831 1.00 10.00 H new ATOM 0 HG23 VAL B 31 16.890 7.928 -5.195 1.00 10.00 H new ATOM 1259 N ASP B 32 19.924 7.373 -2.165 1.00 10.00 N ATOM 1260 CA ASP B 32 21.042 7.422 -1.189 1.00 10.00 C ATOM 1261 C ASP B 32 20.544 7.028 0.204 1.00 10.00 C ATOM 1262 O ASP B 32 21.136 6.204 0.873 1.00 10.00 O ATOM 1263 CB ASP B 32 21.495 8.879 -1.217 1.00 10.00 C ATOM 1264 CG ASP B 32 22.996 8.955 -0.927 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.434 8.291 -0.001 1.00 10.00 O ATOM 1266 OD2 ASP B 32 23.680 9.677 -1.633 1.00 10.00 O ATOM 0 H ASP B 32 19.723 8.256 -2.634 1.00 10.00 H new ATOM 0 HA ASP B 32 21.852 6.734 -1.432 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.280 9.319 -2.191 1.00 10.00 H new ATOM 0 HB3 ASP B 32 20.942 9.457 -0.477 1.00 10.00 H new ATOM 1271 N PHE B 33 19.456 7.600 0.645 1.00 10.00 N ATOM 1272 CA PHE B 33 18.929 7.239 1.991 1.00 10.00 C ATOM 1273 C PHE B 33 18.698 5.729 2.064 1.00 10.00 C ATOM 1274 O PHE B 33 18.870 5.112 3.096 1.00 10.00 O ATOM 1275 CB PHE B 33 17.605 7.990 2.127 1.00 10.00 C ATOM 1276 CG PHE B 33 16.916 7.557 3.399 1.00 10.00 C ATOM 1277 CD1 PHE B 33 17.210 8.198 4.609 1.00 10.00 C ATOM 1278 CD2 PHE B 33 15.986 6.510 3.370 1.00 10.00 C ATOM 1279 CE1 PHE B 33 16.577 7.793 5.789 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.353 6.104 4.552 1.00 10.00 C ATOM 1281 CZ PHE B 33 15.648 6.746 5.760 1.00 10.00 C ATOM 0 H PHE B 33 18.913 8.297 0.135 1.00 10.00 H new ATOM 0 HA PHE B 33 19.621 7.503 2.790 1.00 10.00 H new ATOM 0 HB2 PHE B 33 17.783 9.065 2.144 1.00 10.00 H new ATOM 0 HB3 PHE B 33 16.968 7.786 1.267 1.00 10.00 H new ATOM 0 HD1 PHE B 33 17.926 9.006 4.631 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.757 6.016 2.437 1.00 10.00 H new ATOM 0 HE1 PHE B 33 16.805 8.288 6.722 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.637 5.295 4.531 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.159 6.434 6.671 1.00 10.00 H new ATOM 1291 N ALA B 34 18.315 5.130 0.969 1.00 10.00 N ATOM 1292 CA ALA B 34 18.078 3.660 0.966 1.00 10.00 C ATOM 1293 C ALA B 34 19.391 2.922 1.226 1.00 10.00 C ATOM 1294 O ALA B 34 19.473 2.059 2.077 1.00 10.00 O ATOM 1295 CB ALA B 34 17.555 3.345 -0.436 1.00 10.00 C ATOM 0 H ALA B 34 18.156 5.597 0.076 1.00 10.00 H new ATOM 0 HA ALA B 34 17.376 3.350 1.740 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.356 2.277 -0.518 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.634 3.901 -0.614 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.302 3.633 -1.176 1.00 10.00 H new ATOM 1301 N VAL B 35 20.419 3.257 0.497 1.00 10.00 N ATOM 1302 CA VAL B 35 21.721 2.590 0.689 1.00 10.00 C ATOM 1303 C VAL B 35 22.258 2.854 2.097 1.00 10.00 C ATOM 1304 O VAL B 35 22.854 1.997 2.705 1.00 10.00 O ATOM 1305 CB VAL B 35 22.613 3.239 -0.359 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.971 2.564 -0.340 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.981 3.072 -1.741 1.00 10.00 C ATOM 0 H VAL B 35 20.405 3.973 -0.229 1.00 10.00 H new ATOM 0 HA VAL B 35 21.665 1.506 0.584 1.00 10.00 H new ATOM 0 HB VAL B 35 22.726 4.301 -0.140 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.616 3.024 -1.089 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.421 2.679 0.646 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.853 1.504 -0.564 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.620 3.537 -2.492 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.871 2.011 -1.965 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.001 3.549 -1.753 1.00 10.00 H new ATOM 1317 N GLU B 36 22.060 4.033 2.616 1.00 10.00 N ATOM 1318 CA GLU B 36 22.576 4.336 3.984 1.00 10.00 C ATOM 1319 C GLU B 36 21.812 3.531 5.043 1.00 10.00 C ATOM 1320 O GLU B 36 22.382 3.068 6.012 1.00 10.00 O ATOM 1321 CB GLU B 36 22.348 5.844 4.165 1.00 10.00 C ATOM 1322 CG GLU B 36 21.311 6.094 5.265 1.00 10.00 C ATOM 1323 CD GLU B 36 21.244 7.591 5.572 1.00 10.00 C ATOM 1324 OE1 GLU B 36 21.812 8.359 4.813 1.00 10.00 O ATOM 1325 OE2 GLU B 36 20.624 7.945 6.562 1.00 10.00 O ATOM 0 H GLU B 36 21.566 4.798 2.157 1.00 10.00 H new ATOM 0 HA GLU B 36 23.626 4.067 4.098 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.287 6.333 4.423 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.007 6.283 3.227 1.00 10.00 H new ATOM 0 HG2 GLU B 36 20.333 5.733 4.946 1.00 10.00 H new ATOM 0 HG3 GLU B 36 21.578 5.539 6.164 1.00 10.00 H new ATOM 1332 N TYR B 37 20.529 3.365 4.874 1.00 10.00 N ATOM 1333 CA TYR B 37 19.739 2.598 5.883 1.00 10.00 C ATOM 1334 C TYR B 37 20.044 1.099 5.782 1.00 10.00 C ATOM 1335 O TYR B 37 20.671 0.524 6.649 1.00 10.00 O ATOM 1336 CB TYR B 37 18.277 2.870 5.533 1.00 10.00 C ATOM 1337 CG TYR B 37 17.381 2.105 6.478 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.309 2.474 7.827 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.626 1.024 6.007 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.479 1.763 8.705 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.797 0.313 6.884 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.723 0.683 8.232 1.00 10.00 C ATOM 1343 OH TYR B 37 14.908 -0.019 9.098 1.00 10.00 O ATOM 0 H TYR B 37 19.993 3.725 4.084 1.00 10.00 H new ATOM 0 HA TYR B 37 19.980 2.899 6.903 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.068 3.938 5.602 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.077 2.572 4.504 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.893 3.306 8.191 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.683 0.738 4.967 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.423 2.048 9.745 1.00 10.00 H new ATOM 0 HE2 TYR B 37 15.215 -0.521 6.520 1.00 10.00 H new ATOM 0 HH TYR B 37 14.123 0.524 9.321 1.00 10.00 H new ATOM 1353 N PHE B 38 19.597 0.462 4.735 1.00 10.00 N ATOM 1354 CA PHE B 38 19.852 -1.001 4.584 1.00 10.00 C ATOM 1355 C PHE B 38 21.342 -1.313 4.768 1.00 10.00 C ATOM 1356 O PHE B 38 21.722 -2.038 5.665 1.00 10.00 O ATOM 1357 CB PHE B 38 19.393 -1.335 3.165 1.00 10.00 C ATOM 1358 CG PHE B 38 17.887 -1.250 3.098 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.109 -1.815 4.117 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.267 -0.608 2.019 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.712 -1.736 4.058 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.869 -0.529 1.960 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.092 -1.093 2.979 1.00 10.00 C ATOM 0 H PHE B 38 19.066 0.890 3.977 1.00 10.00 H new ATOM 0 HA PHE B 38 19.323 -1.591 5.332 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.840 -0.642 2.453 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.726 -2.335 2.888 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.587 -2.312 4.948 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.866 -0.174 1.232 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.113 -2.171 4.844 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.391 -0.033 1.128 1.00 10.00 H new ATOM 0 HZ PHE B 38 14.015 -1.032 2.933 1.00 10.00 H new ATOM 1373 N THR B 39 22.190 -0.775 3.931 1.00 10.00 N ATOM 1374 CA THR B 39 23.651 -1.050 4.077 1.00 10.00 C ATOM 1375 C THR B 39 24.037 -1.025 5.555 1.00 10.00 C ATOM 1376 O THR B 39 24.511 -2.001 6.103 1.00 10.00 O ATOM 1377 CB THR B 39 24.349 0.085 3.331 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.205 -0.108 1.931 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.831 0.114 3.697 1.00 10.00 C ATOM 0 H THR B 39 21.937 -0.161 3.157 1.00 10.00 H new ATOM 0 HA THR B 39 23.929 -2.027 3.682 1.00 10.00 H new ATOM 0 HB THR B 39 23.894 1.034 3.615 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.640 0.601 1.559 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.322 0.926 3.161 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.938 0.271 4.770 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.293 -0.834 3.421 1.00 10.00 H new ATOM 1387 N ARG B 40 23.830 0.086 6.207 1.00 10.00 N ATOM 1388 CA ARG B 40 24.177 0.177 7.651 1.00 10.00 C ATOM 1389 C ARG B 40 23.499 -0.958 8.420 1.00 10.00 C ATOM 1390 O ARG B 40 23.989 -1.415 9.431 1.00 10.00 O ATOM 1391 CB ARG B 40 23.637 1.533 8.102 1.00 10.00 C ATOM 1392 CG ARG B 40 23.582 1.579 9.628 1.00 10.00 C ATOM 1393 CD ARG B 40 22.137 1.392 10.093 1.00 10.00 C ATOM 1394 NE ARG B 40 22.183 1.555 11.571 1.00 10.00 N ATOM 1395 CZ ARG B 40 21.542 0.719 12.340 1.00 10.00 C ATOM 1396 NH1 ARG B 40 20.243 0.786 12.436 1.00 10.00 N ATOM 1397 NH2 ARG B 40 22.201 -0.187 13.011 1.00 10.00 N ATOM 0 H ARG B 40 23.435 0.934 5.801 1.00 10.00 H new ATOM 0 HA ARG B 40 25.249 0.089 7.830 1.00 10.00 H new ATOM 0 HB2 ARG B 40 24.275 2.333 7.726 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.643 1.696 7.687 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.215 0.797 10.049 1.00 10.00 H new ATOM 0 HG3 ARG B 40 23.970 2.532 9.988 1.00 10.00 H new ATOM 0 HD2 ARG B 40 21.477 2.129 9.635 1.00 10.00 H new ATOM 0 HD3 ARG B 40 21.758 0.408 9.816 1.00 10.00 H new ATOM 0 HE ARG B 40 22.716 2.321 11.983 1.00 10.00 H new ATOM 0 HH11 ARG B 40 19.728 1.492 11.910 1.00 10.00 H new ATOM 0 HH12 ARG B 40 19.742 0.132 13.037 1.00 10.00 H new ATOM 0 HH21 ARG B 40 23.217 -0.241 12.934 1.00 10.00 H new ATOM 0 HH22 ARG B 40 21.700 -0.841 13.613 1.00 10.00 H new ATOM 1411 N LEU B 41 22.378 -1.424 7.940 1.00 10.00 N ATOM 1412 CA LEU B 41 21.674 -2.536 8.639 1.00 10.00 C ATOM 1413 C LEU B 41 22.479 -3.830 8.500 1.00 10.00 C ATOM 1414 O LEU B 41 22.809 -4.475 9.476 1.00 10.00 O ATOM 1415 CB LEU B 41 20.324 -2.664 7.932 1.00 10.00 C ATOM 1416 CG LEU B 41 19.198 -2.418 8.935 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.891 -2.159 8.182 1.00 10.00 C ATOM 1418 CD2 LEU B 41 19.035 -3.649 9.829 1.00 10.00 C ATOM 0 H LEU B 41 21.920 -1.083 7.095 1.00 10.00 H new ATOM 0 HA LEU B 41 21.553 -2.345 9.705 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.260 -1.946 7.114 1.00 10.00 H new ATOM 0 HB3 LEU B 41 20.224 -3.657 7.493 1.00 10.00 H new ATOM 0 HG LEU B 41 19.441 -1.551 9.549 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.088 -1.984 8.897 1.00 10.00 H new ATOM 0 HD12 LEU B 41 18.006 -1.283 7.544 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.647 -3.026 7.568 1.00 10.00 H new ATOM 0 HD21 LEU B 41 18.232 -3.475 10.545 1.00 10.00 H new ATOM 0 HD22 LEU B 41 18.791 -4.515 9.214 1.00 10.00 H new ATOM 0 HD23 LEU B 41 19.965 -3.835 10.365 1.00 10.00 H new ATOM 1430 N ARG B 42 22.803 -4.213 7.294 1.00 10.00 N ATOM 1431 CA ARG B 42 23.594 -5.461 7.095 1.00 10.00 C ATOM 1432 C ARG B 42 24.909 -5.372 7.872 1.00 10.00 C ATOM 1433 O ARG B 42 25.326 -6.312 8.520 1.00 10.00 O ATOM 1434 CB ARG B 42 23.879 -5.518 5.595 1.00 10.00 C ATOM 1435 CG ARG B 42 22.777 -6.308 4.884 1.00 10.00 C ATOM 1436 CD ARG B 42 23.383 -7.521 4.165 1.00 10.00 C ATOM 1437 NE ARG B 42 24.692 -7.054 3.617 1.00 10.00 N ATOM 1438 CZ ARG B 42 24.780 -5.900 3.012 1.00 10.00 C ATOM 1439 NH1 ARG B 42 24.124 -5.689 1.903 1.00 10.00 N ATOM 1440 NH2 ARG B 42 25.534 -4.958 3.511 1.00 10.00 N ATOM 0 H ARG B 42 22.554 -3.716 6.439 1.00 10.00 H new ATOM 0 HA ARG B 42 23.063 -6.346 7.446 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.935 -4.508 5.188 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.847 -5.987 5.418 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.031 -6.638 5.607 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.264 -5.668 4.166 1.00 10.00 H new ATOM 0 HD2 ARG B 42 23.522 -8.355 4.853 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.727 -7.871 3.368 1.00 10.00 H new ATOM 0 HE ARG B 42 25.521 -7.640 3.716 1.00 10.00 H new ATOM 0 HH11 ARG B 42 23.541 -6.426 1.507 1.00 10.00 H new ATOM 0 HH12 ARG B 42 24.195 -4.787 1.433 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.054 -5.124 4.373 1.00 10.00 H new ATOM 0 HH22 ARG B 42 25.603 -4.056 3.039 1.00 10.00 H new ATOM 1454 N GLU B 43 25.566 -4.248 7.801 1.00 10.00 N ATOM 1455 CA GLU B 43 26.859 -4.089 8.524 1.00 10.00 C ATOM 1456 C GLU B 43 26.642 -3.344 9.842 1.00 10.00 C ATOM 1457 O GLU B 43 27.581 -2.900 10.472 1.00 10.00 O ATOM 1458 CB GLU B 43 27.734 -3.261 7.584 1.00 10.00 C ATOM 1459 CG GLU B 43 27.672 -3.846 6.171 1.00 10.00 C ATOM 1460 CD GLU B 43 28.468 -5.151 6.121 1.00 10.00 C ATOM 1461 OE1 GLU B 43 29.409 -5.277 6.887 1.00 10.00 O ATOM 1462 OE2 GLU B 43 28.126 -6.001 5.316 1.00 10.00 O ATOM 0 H GLU B 43 25.263 -3.430 7.272 1.00 10.00 H new ATOM 0 HA GLU B 43 27.314 -5.048 8.772 1.00 10.00 H new ATOM 0 HB2 GLU B 43 27.395 -2.225 7.574 1.00 10.00 H new ATOM 0 HB3 GLU B 43 28.764 -3.256 7.941 1.00 10.00 H new ATOM 0 HG2 GLU B 43 26.636 -4.029 5.887 1.00 10.00 H new ATOM 0 HG3 GLU B 43 28.078 -3.133 5.453 1.00 10.00 H new ATOM 1469 N ALA B 44 25.409 -3.204 10.256 1.00 10.00 N ATOM 1470 CA ALA B 44 25.111 -2.486 11.536 1.00 10.00 C ATOM 1471 C ALA B 44 26.334 -2.444 12.437 1.00 10.00 C ATOM 1472 O ALA B 44 26.837 -1.393 12.780 1.00 10.00 O ATOM 1473 CB ALA B 44 24.038 -3.319 12.224 1.00 10.00 C ATOM 0 H ALA B 44 24.590 -3.557 9.761 1.00 10.00 H new ATOM 0 HA ALA B 44 24.803 -1.459 11.341 1.00 10.00 H new ATOM 0 HB1 ALA B 44 23.768 -2.853 13.172 1.00 10.00 H new ATOM 0 HB2 ALA B 44 23.157 -3.378 11.585 1.00 10.00 H new ATOM 0 HB3 ALA B 44 24.420 -4.323 12.409 1.00 10.00 H new ATOM 1479 N ARG B 45 26.797 -3.590 12.843 1.00 10.00 N ATOM 1480 CA ARG B 45 27.967 -3.634 13.748 1.00 10.00 C ATOM 1481 C ARG B 45 29.017 -2.604 13.320 1.00 10.00 C ATOM 1482 O ARG B 45 28.968 -2.071 12.229 1.00 10.00 O ATOM 1483 CB ARG B 45 28.528 -5.043 13.624 1.00 10.00 C ATOM 1484 CG ARG B 45 28.886 -5.542 15.021 1.00 10.00 C ATOM 1485 CD ARG B 45 28.428 -6.983 15.179 1.00 10.00 C ATOM 1486 NE ARG B 45 29.150 -7.736 14.117 1.00 10.00 N ATOM 1487 CZ ARG B 45 29.825 -8.811 14.423 1.00 10.00 C ATOM 1488 NH1 ARG B 45 29.252 -9.771 15.096 1.00 10.00 N ATOM 1489 NH2 ARG B 45 31.073 -8.926 14.057 1.00 10.00 N ATOM 0 H ARG B 45 26.412 -4.499 12.585 1.00 10.00 H new ATOM 0 HA ARG B 45 27.689 -3.398 14.775 1.00 10.00 H new ATOM 0 HB2 ARG B 45 27.795 -5.704 13.161 1.00 10.00 H new ATOM 0 HB3 ARG B 45 29.409 -5.046 12.983 1.00 10.00 H new ATOM 0 HG2 ARG B 45 29.962 -5.472 15.179 1.00 10.00 H new ATOM 0 HG3 ARG B 45 28.412 -4.914 15.775 1.00 10.00 H new ATOM 0 HD2 ARG B 45 28.670 -7.368 16.170 1.00 10.00 H new ATOM 0 HD3 ARG B 45 27.348 -7.069 15.059 1.00 10.00 H new ATOM 0 HE ARG B 45 29.117 -7.412 13.150 1.00 10.00 H new ATOM 0 HH11 ARG B 45 28.277 -9.681 15.383 1.00 10.00 H new ATOM 0 HH12 ARG B 45 29.779 -10.611 15.335 1.00 10.00 H new ATOM 0 HH21 ARG B 45 31.522 -8.176 13.532 1.00 10.00 H new ATOM 0 HH22 ARG B 45 31.599 -9.766 14.297 1.00 10.00 H new ATOM 1503 N ARG B 46 29.973 -2.328 14.164 1.00 10.00 N ATOM 1504 CA ARG B 46 31.027 -1.339 13.795 1.00 10.00 C ATOM 1505 C ARG B 46 32.416 -1.903 14.108 1.00 10.00 C ATOM 1506 O ARG B 46 33.217 -1.994 13.192 1.00 10.00 O ATOM 1507 CB ARG B 46 30.738 -0.108 14.654 1.00 10.00 C ATOM 1508 CG ARG B 46 29.572 0.674 14.046 1.00 10.00 C ATOM 1509 CD ARG B 46 29.727 2.163 14.371 1.00 10.00 C ATOM 1510 NE ARG B 46 30.064 2.205 15.823 1.00 10.00 N ATOM 1511 CZ ARG B 46 30.232 3.352 16.422 1.00 10.00 C ATOM 1512 NH1 ARG B 46 29.641 4.422 15.965 1.00 10.00 N ATOM 1513 NH2 ARG B 46 30.993 3.427 17.480 1.00 10.00 N ATOM 1514 OXT ARG B 46 32.655 -2.236 15.258 1.00 10.00 O ATOM 0 H ARG B 46 30.071 -2.743 15.091 1.00 10.00 H new ATOM 0 HA ARG B 46 31.015 -1.102 12.731 1.00 10.00 H new ATOM 0 HB2 ARG B 46 30.495 -0.411 15.673 1.00 10.00 H new ATOM 0 HB3 ARG B 46 31.624 0.525 14.712 1.00 10.00 H new ATOM 0 HG2 ARG B 46 29.547 0.528 12.966 1.00 10.00 H new ATOM 0 HG3 ARG B 46 28.626 0.302 14.440 1.00 10.00 H new ATOM 0 HD2 ARG B 46 30.513 2.619 13.769 1.00 10.00 H new ATOM 0 HD3 ARG B 46 28.808 2.711 14.163 1.00 10.00 H new ATOM 0 HE ARG B 46 30.163 1.336 16.348 1.00 10.00 H new ATOM 0 HH11 ARG B 46 29.047 4.363 15.138 1.00 10.00 H new ATOM 0 HH12 ARG B 46 29.773 5.318 16.435 1.00 10.00 H new ATOM 0 HH21 ARG B 46 31.455 2.590 17.837 1.00 10.00 H new ATOM 0 HH22 ARG B 46 31.126 4.322 17.950 1.00 10.00 H new TER 1528 ARG B 46