USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ -161:sc= -0.0152 (180deg=-0.284) USER MOD Single : A 25 THR OG1 : rot 66:sc= 0.761 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.116 (180deg=-0.692) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -7.76! (180deg=-7.98!) USER MOD Single : A 46 THR OG1 : rot 125:sc= -0.489 USER MOD Single : A 48 ASN : amide:sc= -12.6! C(o=-13!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -12! K(o=-12!,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -146:sc= -0.229 (180deg=-1.2) USER MOD Single : A 56 THR OG1 : rot 59:sc= 0.533 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0975 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000709 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 -0.142 19.238 -5.517 1.00 0.00 N ATOM 2 CA LYS A 21 -0.846 17.929 -5.679 1.00 0.00 C ATOM 3 C LYS A 21 -0.888 17.643 -7.168 1.00 0.00 C ATOM 4 O LYS A 21 -0.836 16.524 -7.621 1.00 0.00 O ATOM 5 CB LYS A 21 -2.283 18.013 -5.098 1.00 0.00 C ATOM 6 CG LYS A 21 -2.389 17.240 -3.762 1.00 0.00 C ATOM 7 CD LYS A 21 -2.776 15.781 -4.025 1.00 0.00 C ATOM 8 CE LYS A 21 -2.750 14.999 -2.711 1.00 0.00 C ATOM 9 NZ LYS A 21 -1.337 14.804 -2.277 1.00 0.00 N ATOM 0 HA LYS A 21 -0.328 17.133 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.555 19.057 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.994 17.604 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.437 17.282 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.132 17.711 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.770 15.732 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.085 15.334 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.306 15.538 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.239 14.033 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.289 14.025 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.749 14.574 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.986 15.677 -1.835 1.00 0.00 H new ATOM 23 N LEU A 22 -0.963 18.688 -7.899 1.00 0.00 N ATOM 24 CA LEU A 22 -1.007 18.639 -9.376 1.00 0.00 C ATOM 25 C LEU A 22 0.011 17.639 -9.954 1.00 0.00 C ATOM 26 O LEU A 22 -0.358 16.682 -10.603 1.00 0.00 O ATOM 27 CB LEU A 22 -0.648 20.058 -9.806 1.00 0.00 C ATOM 28 CG LEU A 22 -0.191 20.126 -11.266 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.243 19.483 -12.178 1.00 0.00 C ATOM 30 CD2 LEU A 22 -0.009 21.594 -11.662 1.00 0.00 C ATOM 0 H LEU A 22 -0.998 19.634 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.982 18.309 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.513 20.707 -9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.144 20.441 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 22 0.750 19.588 -11.375 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.908 19.537 -13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.381 18.440 -11.895 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.189 20.015 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.317 21.653 -12.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.956 22.122 -11.548 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.742 22.054 -11.020 1.00 0.00 H new ATOM 42 N LEU A 23 1.285 17.859 -9.749 1.00 0.00 N ATOM 43 CA LEU A 23 2.301 16.929 -10.318 1.00 0.00 C ATOM 44 C LEU A 23 2.482 15.799 -9.336 1.00 0.00 C ATOM 45 O LEU A 23 2.613 14.644 -9.687 1.00 0.00 O ATOM 46 CB LEU A 23 3.620 17.691 -10.524 1.00 0.00 C ATOM 47 CG LEU A 23 4.408 17.105 -11.718 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.907 17.719 -13.031 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.899 17.419 -11.558 1.00 0.00 C ATOM 0 H LEU A 23 1.663 18.641 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 23 1.983 16.532 -11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.412 18.746 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.225 17.633 -9.619 1.00 0.00 H new ATOM 0 HG LEU A 23 4.258 16.026 -11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.468 17.300 -13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.848 17.495 -13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.048 18.799 -13.005 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.451 17.004 -12.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.042 18.499 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.266 16.977 -10.632 1.00 0.00 H new ATOM 61 N ILE A 24 2.453 16.145 -8.097 1.00 0.00 N ATOM 62 CA ILE A 24 2.585 15.137 -7.032 1.00 0.00 C ATOM 63 C ILE A 24 1.492 14.095 -7.279 1.00 0.00 C ATOM 64 O ILE A 24 1.557 12.974 -6.816 1.00 0.00 O ATOM 65 CB ILE A 24 2.404 15.836 -5.660 1.00 0.00 C ATOM 66 CG1 ILE A 24 2.547 17.372 -5.839 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.456 15.323 -4.664 1.00 0.00 C ATOM 68 CD1 ILE A 24 2.768 18.052 -4.484 1.00 0.00 C ATOM 0 H ILE A 24 2.341 17.104 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 24 3.562 14.654 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 24 1.412 15.609 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.384 17.590 -6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.651 17.774 -6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.320 15.820 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.341 14.247 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.454 15.538 -5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.866 19.128 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.918 17.849 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.677 17.663 -4.026 1.00 0.00 H new ATOM 80 N THR A 25 0.491 14.474 -8.040 1.00 0.00 N ATOM 81 CA THR A 25 -0.615 13.529 -8.368 1.00 0.00 C ATOM 82 C THR A 25 -0.341 12.903 -9.738 1.00 0.00 C ATOM 83 O THR A 25 -0.583 11.733 -9.950 1.00 0.00 O ATOM 84 CB THR A 25 -1.949 14.282 -8.412 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.275 14.742 -7.107 1.00 0.00 O ATOM 86 CG2 THR A 25 -3.052 13.348 -8.913 1.00 0.00 C ATOM 0 H THR A 25 0.396 15.404 -8.448 1.00 0.00 H new ATOM 0 HA THR A 25 -0.669 12.752 -7.605 1.00 0.00 H new ATOM 0 HB THR A 25 -1.862 15.132 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.616 15.409 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.999 13.887 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.803 12.995 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.141 12.496 -8.240 1.00 0.00 H new ATOM 94 N ILE A 26 0.173 13.666 -10.671 1.00 0.00 N ATOM 95 CA ILE A 26 0.462 13.087 -12.017 1.00 0.00 C ATOM 96 C ILE A 26 1.694 12.225 -11.921 1.00 0.00 C ATOM 97 O ILE A 26 1.776 11.137 -12.454 1.00 0.00 O ATOM 98 CB ILE A 26 0.733 14.213 -13.015 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.540 15.050 -13.203 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.160 13.616 -14.361 1.00 0.00 C ATOM 101 CD1 ILE A 26 -0.173 16.428 -13.758 1.00 0.00 C ATOM 0 H ILE A 26 0.402 14.654 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.393 12.498 -12.350 1.00 0.00 H new ATOM 0 HB ILE A 26 1.531 14.850 -12.634 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.223 14.543 -13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.060 15.157 -12.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.353 14.420 -15.071 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.067 13.026 -14.226 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.365 12.977 -14.744 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.079 17.020 -13.890 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.493 16.935 -13.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.328 16.312 -14.719 1.00 0.00 H new ATOM 113 N HIS A 27 2.650 12.736 -11.249 1.00 0.00 N ATOM 114 CA HIS A 27 3.925 12.022 -11.079 1.00 0.00 C ATOM 115 C HIS A 27 3.705 10.784 -10.201 1.00 0.00 C ATOM 116 O HIS A 27 4.554 9.921 -10.109 1.00 0.00 O ATOM 117 CB HIS A 27 4.916 12.998 -10.428 1.00 0.00 C ATOM 118 CG HIS A 27 6.309 12.736 -10.925 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.290 12.156 -10.139 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.890 12.980 -12.140 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.406 12.069 -10.888 1.00 0.00 C ATOM 122 NE2 HIS A 27 8.216 12.558 -12.118 1.00 0.00 N ATOM 0 H HIS A 27 2.608 13.647 -10.793 1.00 0.00 H new ATOM 0 HA HIS A 27 4.321 11.681 -12.036 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.629 14.024 -10.656 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.883 12.891 -9.344 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.395 13.431 -12.987 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.340 11.655 -10.538 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.896 12.610 -12.876 1.00 0.00 H new ATOM 130 N ASP A 28 2.563 10.695 -9.558 1.00 0.00 N ATOM 131 CA ASP A 28 2.266 9.515 -8.683 1.00 0.00 C ATOM 132 C ASP A 28 1.175 8.652 -9.322 1.00 0.00 C ATOM 133 O ASP A 28 1.270 7.442 -9.343 1.00 0.00 O ATOM 134 CB ASP A 28 1.780 9.998 -7.316 1.00 0.00 C ATOM 135 CG ASP A 28 2.913 10.737 -6.602 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.491 11.623 -7.209 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.182 10.405 -5.459 1.00 0.00 O ATOM 0 H ASP A 28 1.821 11.393 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 28 3.175 8.926 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.921 10.658 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.450 9.150 -6.716 1.00 0.00 H new ATOM 142 N ARG A 29 0.131 9.253 -9.840 1.00 0.00 N ATOM 143 CA ARG A 29 -0.947 8.430 -10.461 1.00 0.00 C ATOM 144 C ARG A 29 -0.319 7.467 -11.467 1.00 0.00 C ATOM 145 O ARG A 29 -0.932 6.514 -11.893 1.00 0.00 O ATOM 146 CB ARG A 29 -1.994 9.323 -11.148 1.00 0.00 C ATOM 147 CG ARG A 29 -1.473 9.817 -12.501 1.00 0.00 C ATOM 148 CD ARG A 29 -2.360 10.956 -13.019 1.00 0.00 C ATOM 149 NE ARG A 29 -1.684 11.630 -14.163 1.00 0.00 N ATOM 150 CZ ARG A 29 -2.363 12.418 -14.950 1.00 0.00 C ATOM 151 NH1 ARG A 29 -3.635 12.617 -14.735 1.00 0.00 N ATOM 152 NH2 ARG A 29 -1.770 13.009 -15.951 1.00 0.00 N ATOM 0 H ARG A 29 -0.018 10.262 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.459 7.863 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.920 8.765 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.230 10.174 -10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.444 10.163 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.464 8.996 -13.218 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.327 10.564 -13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.551 11.674 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.690 11.475 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.098 12.156 -13.952 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.166 13.233 -15.350 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.776 12.855 -16.118 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.301 13.625 -16.567 1.00 0.00 H new ATOM 166 N LYS A 30 0.906 7.702 -11.842 1.00 0.00 N ATOM 167 CA LYS A 30 1.568 6.783 -12.807 1.00 0.00 C ATOM 168 C LYS A 30 1.462 5.366 -12.252 1.00 0.00 C ATOM 169 O LYS A 30 1.139 4.428 -12.953 1.00 0.00 O ATOM 170 CB LYS A 30 3.041 7.168 -12.964 1.00 0.00 C ATOM 171 CG LYS A 30 3.630 6.451 -14.180 1.00 0.00 C ATOM 172 CD LYS A 30 5.061 6.938 -14.418 1.00 0.00 C ATOM 173 CE LYS A 30 5.679 6.158 -15.579 1.00 0.00 C ATOM 174 NZ LYS A 30 7.117 6.528 -15.716 1.00 0.00 N ATOM 0 H LYS A 30 1.475 8.486 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 30 1.087 6.847 -13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.135 8.247 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.596 6.898 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.624 5.373 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.018 6.644 -15.061 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.061 8.005 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.658 6.802 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.583 5.087 -15.403 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.146 6.378 -16.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.538 5.998 -16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.197 7.548 -15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.620 6.296 -14.836 1.00 0.00 H new ATOM 188 N GLU A 31 1.713 5.216 -10.980 1.00 0.00 N ATOM 189 CA GLU A 31 1.609 3.876 -10.343 1.00 0.00 C ATOM 190 C GLU A 31 0.157 3.643 -9.925 1.00 0.00 C ATOM 191 O GLU A 31 -0.394 2.578 -10.122 1.00 0.00 O ATOM 192 CB GLU A 31 2.505 3.835 -9.103 1.00 0.00 C ATOM 193 CG GLU A 31 3.871 4.435 -9.440 1.00 0.00 C ATOM 194 CD GLU A 31 4.831 4.208 -8.271 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.941 3.075 -7.831 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.440 5.171 -7.835 1.00 0.00 O ATOM 0 H GLU A 31 1.988 5.971 -10.352 1.00 0.00 H new ATOM 0 HA GLU A 31 1.924 3.103 -11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.042 4.392 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.622 2.807 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.268 3.976 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.772 5.502 -9.641 1.00 0.00 H new ATOM 203 N PHE A 32 -0.468 4.636 -9.348 1.00 0.00 N ATOM 204 CA PHE A 32 -1.884 4.474 -8.916 1.00 0.00 C ATOM 205 C PHE A 32 -2.737 4.180 -10.143 1.00 0.00 C ATOM 206 O PHE A 32 -3.701 3.442 -10.095 1.00 0.00 O ATOM 207 CB PHE A 32 -2.359 5.765 -8.207 1.00 0.00 C ATOM 208 CG PHE A 32 -3.150 5.426 -6.960 1.00 0.00 C ATOM 209 CD1 PHE A 32 -2.482 5.152 -5.761 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.549 5.389 -7.007 1.00 0.00 C ATOM 211 CE1 PHE A 32 -3.213 4.838 -4.609 1.00 0.00 C ATOM 212 CE2 PHE A 32 -5.280 5.075 -5.855 1.00 0.00 C ATOM 213 CZ PHE A 32 -4.612 4.801 -4.656 1.00 0.00 C ATOM 0 H PHE A 32 -0.058 5.550 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.976 3.647 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.498 6.379 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.975 6.354 -8.886 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.403 5.183 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.064 5.603 -7.932 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.698 4.624 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.359 5.044 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.176 4.561 -3.767 1.00 0.00 H new ATOM 223 N ALA A 33 -2.375 4.746 -11.243 1.00 0.00 N ATOM 224 CA ALA A 33 -3.138 4.499 -12.494 1.00 0.00 C ATOM 225 C ALA A 33 -2.726 3.139 -13.059 1.00 0.00 C ATOM 226 O ALA A 33 -3.450 2.525 -13.812 1.00 0.00 O ATOM 227 CB ALA A 33 -2.824 5.595 -13.516 1.00 0.00 C ATOM 0 H ALA A 33 -1.578 5.375 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.207 4.507 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.385 5.410 -14.432 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.106 6.565 -13.107 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.757 5.591 -13.738 1.00 0.00 H new ATOM 233 N LYS A 34 -1.557 2.666 -12.709 1.00 0.00 N ATOM 234 CA LYS A 34 -1.096 1.342 -13.228 1.00 0.00 C ATOM 235 C LYS A 34 -1.609 0.212 -12.328 1.00 0.00 C ATOM 236 O LYS A 34 -2.358 -0.641 -12.760 1.00 0.00 O ATOM 237 CB LYS A 34 0.442 1.321 -13.268 1.00 0.00 C ATOM 238 CG LYS A 34 0.963 0.100 -14.072 1.00 0.00 C ATOM 239 CD LYS A 34 1.264 -1.080 -13.136 1.00 0.00 C ATOM 240 CE LYS A 34 1.908 -2.212 -13.938 1.00 0.00 C ATOM 241 NZ LYS A 34 3.233 -1.764 -14.454 1.00 0.00 N ATOM 0 H LYS A 34 -0.902 3.139 -12.087 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.491 1.193 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.810 2.242 -13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.835 1.286 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.220 -0.197 -14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.865 0.376 -14.618 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.931 -0.762 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.345 -1.430 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.030 -3.094 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.261 -2.499 -14.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.835 -2.593 -14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.100 -1.237 -15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.689 -1.149 -13.751 1.00 0.00 H new ATOM 255 N PHE A 35 -1.202 0.185 -11.083 1.00 0.00 N ATOM 256 CA PHE A 35 -1.666 -0.909 -10.177 1.00 0.00 C ATOM 257 C PHE A 35 -3.193 -0.980 -10.210 1.00 0.00 C ATOM 258 O PHE A 35 -3.795 -1.913 -9.729 1.00 0.00 O ATOM 259 CB PHE A 35 -1.120 -0.678 -8.745 1.00 0.00 C ATOM 260 CG PHE A 35 -2.117 0.060 -7.869 1.00 0.00 C ATOM 261 CD1 PHE A 35 -2.794 1.178 -8.364 1.00 0.00 C ATOM 262 CD2 PHE A 35 -2.358 -0.381 -6.560 1.00 0.00 C ATOM 263 CE1 PHE A 35 -3.712 1.857 -7.552 1.00 0.00 C ATOM 264 CE2 PHE A 35 -3.274 0.299 -5.750 1.00 0.00 C ATOM 265 CZ PHE A 35 -3.951 1.417 -6.246 1.00 0.00 C ATOM 0 H PHE A 35 -0.574 0.867 -10.658 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.279 -1.870 -10.518 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.878 -1.638 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.192 -0.108 -8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.610 1.518 -9.372 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.836 -1.246 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.235 2.721 -7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.458 -0.040 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.659 1.941 -5.621 1.00 0.00 H new ATOM 275 N GLU A 36 -3.819 -0.005 -10.785 1.00 0.00 N ATOM 276 CA GLU A 36 -5.302 -0.028 -10.863 1.00 0.00 C ATOM 277 C GLU A 36 -5.750 -1.341 -11.502 1.00 0.00 C ATOM 278 O GLU A 36 -6.731 -1.939 -11.119 1.00 0.00 O ATOM 279 CB GLU A 36 -5.773 1.190 -11.673 1.00 0.00 C ATOM 280 CG GLU A 36 -5.671 0.900 -13.159 1.00 0.00 C ATOM 281 CD GLU A 36 -6.021 2.159 -13.956 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.545 3.086 -13.361 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.759 2.173 -15.148 1.00 0.00 O ATOM 0 H GLU A 36 -3.372 0.809 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.746 0.029 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.803 1.434 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.166 2.060 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.662 0.570 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.347 0.088 -13.428 1.00 0.00 H new ATOM 290 N GLU A 37 -5.030 -1.760 -12.486 1.00 0.00 N ATOM 291 CA GLU A 37 -5.369 -3.020 -13.216 1.00 0.00 C ATOM 292 C GLU A 37 -5.441 -4.217 -12.258 1.00 0.00 C ATOM 293 O GLU A 37 -6.121 -5.189 -12.523 1.00 0.00 O ATOM 294 CB GLU A 37 -4.296 -3.288 -14.274 1.00 0.00 C ATOM 295 CG GLU A 37 -4.795 -4.355 -15.251 1.00 0.00 C ATOM 296 CD GLU A 37 -5.869 -3.755 -16.159 1.00 0.00 C ATOM 297 OE1 GLU A 37 -5.798 -2.565 -16.422 1.00 0.00 O ATOM 298 OE2 GLU A 37 -6.746 -4.494 -16.575 1.00 0.00 O ATOM 0 H GLU A 37 -4.199 -1.280 -12.832 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.346 -2.896 -13.683 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.063 -2.369 -14.811 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.374 -3.620 -13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.966 -4.730 -15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.201 -5.204 -14.702 1.00 0.00 H new ATOM 305 N GLU A 38 -4.738 -4.172 -11.160 1.00 0.00 N ATOM 306 CA GLU A 38 -4.754 -5.308 -10.213 1.00 0.00 C ATOM 307 C GLU A 38 -6.082 -5.340 -9.443 1.00 0.00 C ATOM 308 O GLU A 38 -6.770 -6.341 -9.407 1.00 0.00 O ATOM 309 CB GLU A 38 -3.590 -5.105 -9.238 1.00 0.00 C ATOM 310 CG GLU A 38 -2.280 -5.586 -9.873 1.00 0.00 C ATOM 311 CD GLU A 38 -2.107 -4.950 -11.255 1.00 0.00 C ATOM 312 OE1 GLU A 38 -2.365 -3.765 -11.376 1.00 0.00 O ATOM 313 OE2 GLU A 38 -1.721 -5.661 -12.167 1.00 0.00 O ATOM 0 H GLU A 38 -4.150 -3.387 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.653 -6.253 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.508 -4.051 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.779 -5.654 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.437 -5.322 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.286 -6.672 -9.961 1.00 0.00 H new ATOM 320 N ARG A 39 -6.428 -4.250 -8.817 1.00 0.00 N ATOM 321 CA ARG A 39 -7.693 -4.172 -8.015 1.00 0.00 C ATOM 322 C ARG A 39 -8.738 -3.350 -8.749 1.00 0.00 C ATOM 323 O ARG A 39 -9.706 -2.962 -8.145 1.00 0.00 O ATOM 324 CB ARG A 39 -7.419 -3.559 -6.639 1.00 0.00 C ATOM 325 CG ARG A 39 -6.264 -2.555 -6.747 1.00 0.00 C ATOM 326 CD ARG A 39 -6.454 -1.473 -5.699 1.00 0.00 C ATOM 327 NE ARG A 39 -7.060 -2.067 -4.464 1.00 0.00 N ATOM 328 CZ ARG A 39 -6.984 -1.411 -3.337 1.00 0.00 C ATOM 329 NH1 ARG A 39 -6.394 -0.247 -3.302 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.492 -1.914 -2.249 1.00 0.00 N ATOM 0 H ARG A 39 -5.880 -3.390 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.073 -5.184 -7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.314 -3.061 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.168 -4.342 -5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.310 -3.061 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.239 -2.114 -7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.495 -1.012 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.098 -0.685 -6.089 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.527 -2.973 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.994 0.148 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.333 0.268 -2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.952 -2.824 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.430 -1.398 -1.371 1.00 0.00 H new ATOM 344 N ALA A 40 -8.539 -3.062 -10.017 1.00 0.00 N ATOM 345 CA ALA A 40 -9.525 -2.250 -10.861 1.00 0.00 C ATOM 346 C ALA A 40 -10.996 -2.431 -10.438 1.00 0.00 C ATOM 347 O ALA A 40 -11.912 -2.074 -11.144 1.00 0.00 O ATOM 348 CB ALA A 40 -9.379 -2.648 -12.334 1.00 0.00 C ATOM 0 H ALA A 40 -7.710 -3.360 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.276 -1.200 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.080 -2.072 -12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.361 -2.445 -12.667 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.592 -3.711 -12.447 1.00 0.00 H new ATOM 354 N ARG A 41 -11.194 -2.985 -9.314 1.00 0.00 N ATOM 355 CA ARG A 41 -12.503 -3.236 -8.737 1.00 0.00 C ATOM 356 C ARG A 41 -12.887 -2.058 -7.846 1.00 0.00 C ATOM 357 O ARG A 41 -14.025 -1.891 -7.470 1.00 0.00 O ATOM 358 CB ARG A 41 -12.293 -4.455 -7.885 1.00 0.00 C ATOM 359 CG ARG A 41 -11.841 -5.662 -8.773 1.00 0.00 C ATOM 360 CD ARG A 41 -10.660 -6.447 -8.138 1.00 0.00 C ATOM 361 NE ARG A 41 -9.590 -6.687 -9.163 1.00 0.00 N ATOM 362 CZ ARG A 41 -9.875 -7.145 -10.356 1.00 0.00 C ATOM 363 NH1 ARG A 41 -11.098 -7.484 -10.658 1.00 0.00 N ATOM 364 NH2 ARG A 41 -8.926 -7.289 -11.240 1.00 0.00 N ATOM 0 H ARG A 41 -10.429 -3.302 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.286 -3.368 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.539 -4.251 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.215 -4.705 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.684 -6.336 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.545 -5.297 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.250 -5.886 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.016 -7.398 -7.743 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.618 -6.489 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.839 -7.393 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.313 -7.840 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.965 -7.045 -11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.145 -7.646 -12.170 1.00 0.00 H new ATOM 378 N ALA A 42 -11.922 -1.252 -7.489 1.00 0.00 N ATOM 379 CA ALA A 42 -12.196 -0.099 -6.578 1.00 0.00 C ATOM 380 C ALA A 42 -13.126 0.905 -7.227 1.00 0.00 C ATOM 381 O ALA A 42 -13.430 1.949 -6.683 1.00 0.00 O ATOM 382 CB ALA A 42 -10.886 0.578 -6.175 1.00 0.00 C ATOM 0 H ALA A 42 -10.952 -1.342 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.688 -0.485 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.099 1.416 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.249 -0.140 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.375 0.942 -7.067 1.00 0.00 H new ATOM 388 N LYS A 43 -13.569 0.582 -8.380 1.00 0.00 N ATOM 389 CA LYS A 43 -14.496 1.469 -9.143 1.00 0.00 C ATOM 390 C LYS A 43 -15.866 0.853 -9.177 1.00 0.00 C ATOM 391 O LYS A 43 -16.857 1.528 -9.374 1.00 0.00 O ATOM 392 CB LYS A 43 -13.989 1.664 -10.574 1.00 0.00 C ATOM 393 CG LYS A 43 -13.221 0.410 -11.094 1.00 0.00 C ATOM 394 CD LYS A 43 -11.756 0.762 -11.428 1.00 0.00 C ATOM 395 CE LYS A 43 -10.939 0.890 -10.136 1.00 0.00 C ATOM 396 NZ LYS A 43 -11.382 2.088 -9.368 1.00 0.00 N ATOM 0 H LYS A 43 -13.330 -0.287 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.541 2.440 -8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.832 1.873 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.333 2.533 -10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.248 -0.377 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.717 0.017 -11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.324 -0.009 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.716 1.697 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.061 -0.007 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.878 0.972 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.700 2.285 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.437 2.908 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.319 1.908 -8.954 1.00 0.00 H new ATOM 410 N TRP A 44 -15.937 -0.415 -8.973 1.00 0.00 N ATOM 411 CA TRP A 44 -17.269 -1.078 -8.973 1.00 0.00 C ATOM 412 C TRP A 44 -17.259 -2.222 -7.971 1.00 0.00 C ATOM 413 O TRP A 44 -18.039 -3.151 -8.051 1.00 0.00 O ATOM 414 CB TRP A 44 -17.614 -1.589 -10.367 1.00 0.00 C ATOM 415 CG TRP A 44 -16.403 -2.134 -10.973 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.624 -1.430 -11.765 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.818 -3.455 -10.859 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.547 -2.197 -12.131 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.623 -3.465 -11.600 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.192 -4.625 -10.185 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.814 -4.592 -11.667 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.385 -5.775 -10.256 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.193 -5.754 -10.992 1.00 0.00 C ATOM 0 H TRP A 44 -15.140 -1.029 -8.806 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.031 -0.354 -8.685 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.387 -2.356 -10.309 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -18.013 -0.780 -10.979 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.803 -0.412 -12.077 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.784 -1.868 -12.723 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.105 -4.644 -9.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.897 -4.570 -12.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.685 -6.676 -9.742 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.569 -6.634 -11.037 1.00 0.00 H new ATOM 434 N ASP A 45 -16.357 -2.164 -7.037 1.00 0.00 N ATOM 435 CA ASP A 45 -16.253 -3.256 -6.026 1.00 0.00 C ATOM 436 C ASP A 45 -15.220 -2.916 -4.977 1.00 0.00 C ATOM 437 O ASP A 45 -15.529 -2.708 -3.826 1.00 0.00 O ATOM 438 CB ASP A 45 -15.826 -4.543 -6.754 1.00 0.00 C ATOM 439 CG ASP A 45 -17.030 -5.496 -6.925 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.877 -5.522 -6.047 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.074 -6.193 -7.922 1.00 0.00 O ATOM 0 H ASP A 45 -15.683 -1.406 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.216 -3.387 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.411 -4.294 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.038 -5.042 -6.190 1.00 0.00 H new ATOM 446 N THR A 46 -14.004 -2.929 -5.382 1.00 0.00 N ATOM 447 CA THR A 46 -12.872 -2.685 -4.463 1.00 0.00 C ATOM 448 C THR A 46 -12.614 -3.971 -3.754 1.00 0.00 C ATOM 449 O THR A 46 -11.501 -4.387 -3.622 1.00 0.00 O ATOM 450 CB THR A 46 -13.162 -1.511 -3.484 1.00 0.00 C ATOM 451 OG1 THR A 46 -12.042 -0.636 -3.485 1.00 0.00 O ATOM 452 CG2 THR A 46 -13.398 -1.983 -2.034 1.00 0.00 C ATOM 0 H THR A 46 -13.729 -3.105 -6.348 1.00 0.00 H new ATOM 0 HA THR A 46 -11.984 -2.374 -5.014 1.00 0.00 H new ATOM 0 HB THR A 46 -14.072 -1.018 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.337 0.273 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.595 -1.120 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.254 -2.658 -2.006 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.512 -2.505 -1.673 1.00 0.00 H new ATOM 460 N ALA A 47 -13.644 -4.616 -3.330 1.00 0.00 N ATOM 461 CA ALA A 47 -13.471 -5.928 -2.632 1.00 0.00 C ATOM 462 C ALA A 47 -13.909 -7.066 -3.527 1.00 0.00 C ATOM 463 O ALA A 47 -13.282 -8.105 -3.556 1.00 0.00 O ATOM 464 CB ALA A 47 -14.285 -5.940 -1.337 1.00 0.00 C ATOM 0 H ALA A 47 -14.609 -4.302 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.416 -6.059 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.154 -6.898 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.942 -5.138 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.340 -5.793 -1.569 1.00 0.00 H new ATOM 470 N ASN A 48 -14.974 -6.878 -4.256 1.00 0.00 N ATOM 471 CA ASN A 48 -15.481 -7.963 -5.170 1.00 0.00 C ATOM 472 C ASN A 48 -15.268 -9.331 -4.507 1.00 0.00 C ATOM 473 O ASN A 48 -16.047 -9.802 -3.701 1.00 0.00 O ATOM 474 CB ASN A 48 -14.694 -7.924 -6.498 1.00 0.00 C ATOM 475 CG ASN A 48 -13.217 -7.628 -6.215 1.00 0.00 C ATOM 476 OD1 ASN A 48 -12.853 -6.503 -5.938 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.348 -8.599 -6.260 1.00 0.00 N ATOM 0 H ASN A 48 -15.523 -6.019 -4.264 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.542 -7.806 -5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.791 -8.877 -7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.109 -7.160 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.365 -8.413 -6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.651 -9.545 -6.492 1.00 0.00 H new ATOM 484 N ASN A 49 -14.179 -9.925 -4.857 1.00 0.00 N ATOM 485 CA ASN A 49 -13.741 -11.217 -4.343 1.00 0.00 C ATOM 486 C ASN A 49 -12.452 -10.892 -3.573 1.00 0.00 C ATOM 487 O ASN A 49 -11.793 -9.940 -3.940 1.00 0.00 O ATOM 488 CB ASN A 49 -13.447 -12.042 -5.591 1.00 0.00 C ATOM 489 CG ASN A 49 -12.646 -13.273 -5.246 1.00 0.00 C ATOM 490 OD1 ASN A 49 -13.139 -14.382 -5.301 1.00 0.00 O ATOM 491 ND2 ASN A 49 -11.420 -13.120 -4.891 1.00 0.00 N ATOM 0 H ASN A 49 -13.530 -9.524 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.442 -11.750 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.383 -12.334 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.898 -11.436 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.853 -13.934 -4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.014 -12.185 -4.848 1.00 0.00 H new ATOM 498 N PRO A 50 -12.111 -11.619 -2.530 1.00 0.00 N ATOM 499 CA PRO A 50 -10.883 -11.306 -1.762 1.00 0.00 C ATOM 500 C PRO A 50 -9.686 -11.024 -2.675 1.00 0.00 C ATOM 501 O PRO A 50 -8.652 -10.562 -2.243 1.00 0.00 O ATOM 502 CB PRO A 50 -10.674 -12.520 -0.838 1.00 0.00 C ATOM 503 CG PRO A 50 -11.978 -13.376 -0.908 1.00 0.00 C ATOM 504 CD PRO A 50 -12.880 -12.772 -2.015 1.00 0.00 C ATOM 0 HA PRO A 50 -10.983 -10.388 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.811 -13.104 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.479 -12.197 0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.741 -14.416 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.493 -13.367 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.082 -13.498 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.844 -12.459 -1.615 1.00 0.00 H new ATOM 512 N LEU A 51 -9.867 -11.227 -3.928 1.00 0.00 N ATOM 513 CA LEU A 51 -8.840 -10.918 -4.949 1.00 0.00 C ATOM 514 C LEU A 51 -8.131 -9.618 -4.597 1.00 0.00 C ATOM 515 O LEU A 51 -6.926 -9.519 -4.476 1.00 0.00 O ATOM 516 CB LEU A 51 -9.642 -10.673 -6.218 1.00 0.00 C ATOM 517 CG LEU A 51 -8.784 -10.822 -7.492 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.442 -10.095 -7.346 1.00 0.00 C ATOM 519 CD2 LEU A 51 -8.524 -12.306 -7.794 1.00 0.00 C ATOM 0 H LEU A 51 -10.728 -11.615 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.097 -11.711 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.475 -11.375 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.070 -9.671 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.339 -10.373 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.860 -10.218 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.620 -9.034 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.890 -10.515 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.918 -12.393 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.996 -12.761 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.474 -12.818 -7.945 1.00 0.00 H new ATOM 531 N TYR A 52 -8.944 -8.635 -4.461 1.00 0.00 N ATOM 532 CA TYR A 52 -8.507 -7.269 -4.140 1.00 0.00 C ATOM 533 C TYR A 52 -7.650 -7.380 -2.889 1.00 0.00 C ATOM 534 O TYR A 52 -6.635 -6.730 -2.736 1.00 0.00 O ATOM 535 CB TYR A 52 -9.774 -6.408 -3.920 1.00 0.00 C ATOM 536 CG TYR A 52 -9.771 -5.840 -2.501 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.151 -6.653 -1.424 1.00 0.00 C ATOM 538 CD2 TYR A 52 -9.369 -4.518 -2.269 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.134 -6.144 -0.120 1.00 0.00 C ATOM 540 CE2 TYR A 52 -9.356 -4.009 -0.963 1.00 0.00 C ATOM 541 CZ TYR A 52 -9.738 -4.822 0.110 1.00 0.00 C ATOM 542 OH TYR A 52 -9.722 -4.321 1.395 1.00 0.00 O ATOM 0 H TYR A 52 -9.954 -8.728 -4.565 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.923 -6.797 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.805 -5.596 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.668 -7.012 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.457 -7.673 -1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.069 -3.891 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.427 -6.772 0.709 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.051 -2.988 -0.785 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.421 -3.388 1.379 1.00 0.00 H new ATOM 552 N LYS A 53 -8.062 -8.247 -2.012 1.00 0.00 N ATOM 553 CA LYS A 53 -7.297 -8.477 -0.771 1.00 0.00 C ATOM 554 C LYS A 53 -6.123 -9.365 -1.127 1.00 0.00 C ATOM 555 O LYS A 53 -5.128 -9.415 -0.434 1.00 0.00 O ATOM 556 CB LYS A 53 -8.180 -9.160 0.285 1.00 0.00 C ATOM 557 CG LYS A 53 -7.532 -9.037 1.678 1.00 0.00 C ATOM 558 CD LYS A 53 -7.917 -7.703 2.329 1.00 0.00 C ATOM 559 CE LYS A 53 -7.366 -7.655 3.755 1.00 0.00 C ATOM 560 NZ LYS A 53 -7.851 -8.843 4.514 1.00 0.00 N ATOM 0 H LYS A 53 -8.907 -8.810 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.954 -7.532 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.169 -8.702 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.317 -10.211 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.854 -9.864 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.448 -9.107 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.519 -6.873 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.001 -7.592 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.276 -7.642 3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.686 -6.738 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.002 -8.581 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.747 -9.175 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.143 -9.603 4.459 1.00 0.00 H new ATOM 574 N GLU A 54 -6.230 -10.065 -2.226 1.00 0.00 N ATOM 575 CA GLU A 54 -5.090 -10.952 -2.636 1.00 0.00 C ATOM 576 C GLU A 54 -4.073 -10.125 -3.402 1.00 0.00 C ATOM 577 O GLU A 54 -2.884 -10.373 -3.357 1.00 0.00 O ATOM 578 CB GLU A 54 -5.570 -12.100 -3.523 1.00 0.00 C ATOM 579 CG GLU A 54 -6.558 -12.985 -2.749 1.00 0.00 C ATOM 580 CD GLU A 54 -5.792 -13.967 -1.859 1.00 0.00 C ATOM 581 OE1 GLU A 54 -5.314 -14.960 -2.380 1.00 0.00 O ATOM 582 OE2 GLU A 54 -5.697 -13.708 -0.670 1.00 0.00 O ATOM 0 H GLU A 54 -7.038 -10.066 -2.849 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.643 -11.377 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.049 -11.703 -4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.719 -12.695 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.215 -12.364 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.193 -13.532 -3.446 1.00 0.00 H new ATOM 589 N ALA A 55 -4.537 -9.141 -4.096 1.00 0.00 N ATOM 590 CA ALA A 55 -3.607 -8.276 -4.872 1.00 0.00 C ATOM 591 C ALA A 55 -2.573 -7.687 -3.917 1.00 0.00 C ATOM 592 O ALA A 55 -1.418 -7.530 -4.257 1.00 0.00 O ATOM 593 CB ALA A 55 -4.391 -7.147 -5.546 1.00 0.00 C ATOM 0 H ALA A 55 -5.523 -8.891 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.108 -8.866 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.706 -6.516 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.135 -7.572 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.891 -6.547 -4.786 1.00 0.00 H new ATOM 599 N THR A 56 -2.973 -7.378 -2.713 1.00 0.00 N ATOM 600 CA THR A 56 -2.014 -6.824 -1.732 1.00 0.00 C ATOM 601 C THR A 56 -1.194 -7.984 -1.184 1.00 0.00 C ATOM 602 O THR A 56 -0.024 -7.860 -0.879 1.00 0.00 O ATOM 603 CB THR A 56 -2.803 -6.137 -0.606 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.131 -6.640 -0.595 1.00 0.00 O ATOM 605 CG2 THR A 56 -2.840 -4.619 -0.823 1.00 0.00 C ATOM 0 H THR A 56 -3.928 -7.488 -2.371 1.00 0.00 H new ATOM 0 HA THR A 56 -1.351 -6.090 -2.189 1.00 0.00 H new ATOM 0 HB THR A 56 -2.313 -6.344 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.112 -7.610 -0.454 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.403 -4.150 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.823 -4.228 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.321 -4.399 -1.776 1.00 0.00 H new ATOM 613 N SER A 57 -1.813 -9.110 -1.084 1.00 0.00 N ATOM 614 CA SER A 57 -1.107 -10.316 -0.584 1.00 0.00 C ATOM 615 C SER A 57 -0.017 -10.674 -1.588 1.00 0.00 C ATOM 616 O SER A 57 0.952 -11.333 -1.267 1.00 0.00 O ATOM 617 CB SER A 57 -2.094 -11.477 -0.456 1.00 0.00 C ATOM 618 OG SER A 57 -1.499 -12.517 0.309 1.00 0.00 O ATOM 0 H SER A 57 -2.792 -9.255 -1.329 1.00 0.00 H new ATOM 0 HA SER A 57 -0.671 -10.121 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.012 -11.138 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.368 -11.847 -1.444 1.00 0.00 H new ATOM 0 HG SER A 57 -2.130 -13.262 0.394 1.00 0.00 H new ATOM 624 N THR A 58 -0.170 -10.228 -2.805 1.00 0.00 N ATOM 625 CA THR A 58 0.845 -10.517 -3.841 1.00 0.00 C ATOM 626 C THR A 58 2.202 -10.074 -3.308 1.00 0.00 C ATOM 627 O THR A 58 3.244 -10.456 -3.804 1.00 0.00 O ATOM 628 CB THR A 58 0.515 -9.740 -5.117 1.00 0.00 C ATOM 629 OG1 THR A 58 -0.857 -9.923 -5.439 1.00 0.00 O ATOM 630 CG2 THR A 58 1.383 -10.250 -6.268 1.00 0.00 C ATOM 0 H THR A 58 -0.964 -9.672 -3.122 1.00 0.00 H new ATOM 0 HA THR A 58 0.857 -11.582 -4.073 1.00 0.00 H new ATOM 0 HB THR A 58 0.714 -8.680 -4.958 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.071 -9.425 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.146 -9.695 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.435 -10.109 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.187 -11.310 -6.429 1.00 0.00 H new ATOM 638 N PHE A 59 2.179 -9.262 -2.289 1.00 0.00 N ATOM 639 CA PHE A 59 3.440 -8.763 -1.685 1.00 0.00 C ATOM 640 C PHE A 59 3.993 -9.813 -0.743 1.00 0.00 C ATOM 641 O PHE A 59 5.154 -10.171 -0.769 1.00 0.00 O ATOM 642 CB PHE A 59 3.108 -7.507 -0.888 1.00 0.00 C ATOM 643 CG PHE A 59 4.372 -6.747 -0.568 1.00 0.00 C ATOM 644 CD1 PHE A 59 4.926 -5.877 -1.515 1.00 0.00 C ATOM 645 CD2 PHE A 59 4.992 -6.913 0.677 1.00 0.00 C ATOM 646 CE1 PHE A 59 6.099 -5.173 -1.218 1.00 0.00 C ATOM 647 CE2 PHE A 59 6.164 -6.209 0.974 1.00 0.00 C ATOM 648 CZ PHE A 59 6.718 -5.339 0.027 1.00 0.00 C ATOM 0 H PHE A 59 1.327 -8.920 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 59 4.177 -8.548 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.428 -6.874 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.594 -7.777 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.448 -5.749 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.565 -7.584 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.526 -4.502 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.642 -6.337 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.623 -4.796 0.257 1.00 0.00 H new ATOM 658 N THR A 60 3.142 -10.289 0.089 1.00 0.00 N ATOM 659 CA THR A 60 3.531 -11.325 1.084 1.00 0.00 C ATOM 660 C THR A 60 3.508 -12.695 0.403 1.00 0.00 C ATOM 661 O THR A 60 4.144 -13.634 0.837 1.00 0.00 O ATOM 662 CB THR A 60 2.543 -11.247 2.272 1.00 0.00 C ATOM 663 OG1 THR A 60 3.204 -10.668 3.388 1.00 0.00 O ATOM 664 CG2 THR A 60 2.005 -12.627 2.669 1.00 0.00 C ATOM 0 H THR A 60 2.163 -10.004 0.133 1.00 0.00 H new ATOM 0 HA THR A 60 4.539 -11.161 1.465 1.00 0.00 H new ATOM 0 HB THR A 60 1.696 -10.636 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.583 -10.614 4.144 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.316 -12.522 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.482 -13.071 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.835 -13.271 2.961 1.00 0.00 H new ATOM 672 N ASN A 61 2.779 -12.799 -0.657 1.00 0.00 N ATOM 673 CA ASN A 61 2.695 -14.094 -1.391 1.00 0.00 C ATOM 674 C ASN A 61 4.096 -14.527 -1.809 1.00 0.00 C ATOM 675 O ASN A 61 4.312 -15.634 -2.260 1.00 0.00 O ATOM 676 CB ASN A 61 1.833 -13.911 -2.637 1.00 0.00 C ATOM 677 CG ASN A 61 1.571 -15.273 -3.282 1.00 0.00 C ATOM 678 OD1 ASN A 61 2.221 -15.639 -4.241 1.00 0.00 O ATOM 679 ND2 ASN A 61 0.637 -16.043 -2.793 1.00 0.00 N ATOM 0 H ASN A 61 2.228 -12.040 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 61 2.253 -14.853 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.889 -13.435 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.335 -13.252 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.453 -16.953 -3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.092 -15.735 -1.988 1.00 0.00 H new ATOM 686 N ILE A 62 5.048 -13.651 -1.660 1.00 0.00 N ATOM 687 CA ILE A 62 6.461 -13.972 -2.040 1.00 0.00 C ATOM 688 C ILE A 62 7.235 -14.280 -0.766 1.00 0.00 C ATOM 689 O ILE A 62 8.269 -14.916 -0.777 1.00 0.00 O ATOM 690 CB ILE A 62 7.088 -12.757 -2.763 1.00 0.00 C ATOM 691 CG1 ILE A 62 5.982 -11.940 -3.436 1.00 0.00 C ATOM 692 CG2 ILE A 62 8.087 -13.227 -3.827 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.604 -10.784 -4.220 1.00 0.00 C ATOM 0 H ILE A 62 4.910 -12.712 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 62 6.493 -14.831 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 62 7.612 -12.143 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.402 -12.576 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.293 -11.554 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.520 -12.361 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.879 -13.805 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.573 -13.849 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.816 -10.203 -4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.165 -10.143 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.276 -11.181 -4.981 1.00 0.00 H new ATOM 705 N THR A 63 6.711 -13.829 0.333 1.00 0.00 N ATOM 706 CA THR A 63 7.360 -14.068 1.655 1.00 0.00 C ATOM 707 C THR A 63 6.567 -15.157 2.373 1.00 0.00 C ATOM 708 O THR A 63 7.017 -15.754 3.331 1.00 0.00 O ATOM 709 CB THR A 63 7.366 -12.752 2.442 1.00 0.00 C ATOM 710 OG1 THR A 63 8.635 -12.133 2.295 1.00 0.00 O ATOM 711 CG2 THR A 63 7.081 -12.966 3.937 1.00 0.00 C ATOM 0 H THR A 63 5.844 -13.294 0.376 1.00 0.00 H new ATOM 0 HA THR A 63 8.393 -14.399 1.549 1.00 0.00 H new ATOM 0 HB THR A 63 6.573 -12.120 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.647 -11.290 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.096 -12.005 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.101 -13.427 4.058 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.844 -13.618 4.363 1.00 0.00 H new ATOM 719 N TYR A 64 5.386 -15.410 1.900 1.00 0.00 N ATOM 720 CA TYR A 64 4.533 -16.457 2.530 1.00 0.00 C ATOM 721 C TYR A 64 5.327 -17.757 2.677 1.00 0.00 C ATOM 722 O TYR A 64 4.890 -18.697 3.312 1.00 0.00 O ATOM 723 CB TYR A 64 3.276 -16.698 1.674 1.00 0.00 C ATOM 724 CG TYR A 64 3.587 -17.613 0.487 1.00 0.00 C ATOM 725 CD1 TYR A 64 4.707 -17.385 -0.345 1.00 0.00 C ATOM 726 CD2 TYR A 64 2.743 -18.702 0.221 1.00 0.00 C ATOM 727 CE1 TYR A 64 4.964 -18.242 -1.422 1.00 0.00 C ATOM 728 CE2 TYR A 64 3.007 -19.555 -0.857 1.00 0.00 C ATOM 729 CZ TYR A 64 4.116 -19.324 -1.678 1.00 0.00 C ATOM 730 OH TYR A 64 4.372 -20.166 -2.741 1.00 0.00 O ATOM 0 H TYR A 64 4.968 -14.936 1.099 1.00 0.00 H new ATOM 0 HA TYR A 64 4.225 -16.117 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.494 -17.146 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.890 -15.745 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.364 -16.550 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.885 -18.883 0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.820 -18.067 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.354 -20.392 -1.055 1.00 0.00 H new ATOM 0 HH TYR A 64 3.687 -20.866 -2.776 1.00 0.00 H new ATOM 740 N ARG A 65 6.484 -17.819 2.088 1.00 0.00 N ATOM 741 CA ARG A 65 7.302 -19.060 2.186 1.00 0.00 C ATOM 742 C ARG A 65 7.828 -19.206 3.613 1.00 0.00 C ATOM 743 O ARG A 65 8.447 -20.189 3.966 1.00 0.00 O ATOM 744 CB ARG A 65 8.480 -18.970 1.199 1.00 0.00 C ATOM 745 CG ARG A 65 8.948 -20.382 0.812 1.00 0.00 C ATOM 746 CD ARG A 65 7.990 -20.992 -0.236 1.00 0.00 C ATOM 747 NE ARG A 65 7.666 -22.411 0.126 1.00 0.00 N ATOM 748 CZ ARG A 65 8.603 -23.254 0.478 1.00 0.00 C ATOM 749 NH1 ARG A 65 9.860 -22.908 0.425 1.00 0.00 N ATOM 750 NH2 ARG A 65 8.280 -24.460 0.858 1.00 0.00 N ATOM 0 H ARG A 65 6.901 -17.065 1.542 1.00 0.00 H new ATOM 0 HA ARG A 65 6.691 -19.928 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.177 -18.421 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.303 -18.416 1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.960 -20.340 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.983 -21.017 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.074 -20.404 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.449 -20.956 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 65 6.696 -22.725 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.119 -21.974 0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.584 -23.572 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.300 -24.743 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.007 -25.120 1.133 1.00 0.00 H new ATOM 764 N GLY A 66 7.580 -18.229 4.431 1.00 0.00 N ATOM 765 CA GLY A 66 8.057 -18.291 5.842 1.00 0.00 C ATOM 766 C GLY A 66 9.566 -18.540 5.860 1.00 0.00 C ATOM 767 O GLY A 66 10.357 -17.618 5.825 1.00 0.00 O ATOM 0 H GLY A 66 7.065 -17.384 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.825 -17.358 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.540 -19.087 6.377 1.00 0.00 H new ATOM 771 N THR A 67 9.971 -19.781 5.920 1.00 0.00 N ATOM 772 CA THR A 67 11.425 -20.098 5.946 1.00 0.00 C ATOM 773 C THR A 67 12.158 -19.271 4.885 1.00 0.00 C ATOM 774 O THR A 67 11.668 -19.205 3.770 1.00 0.00 O ATOM 775 CB THR A 67 11.627 -21.587 5.657 1.00 0.00 C ATOM 776 OG1 THR A 67 10.851 -22.353 6.569 1.00 0.00 O ATOM 777 CG2 THR A 67 13.105 -21.945 5.815 1.00 0.00 C ATOM 778 OXT THR A 67 13.197 -18.717 5.207 1.00 0.00 O ATOM 0 H THR A 67 9.352 -20.591 5.952 1.00 0.00 H new ATOM 0 HA THR A 67 11.826 -19.857 6.930 1.00 0.00 H new ATOM 0 HB THR A 67 11.311 -21.806 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.977 -23.307 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.246 -23.006 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.699 -21.357 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.425 -21.728 6.834 1.00 0.00 H new TER 786 THR A 67