USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -107:sc= -5.89! (180deg=-10.3!) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0295 (180deg=-0.372) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 74:sc= 1.12 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -9:sc= 0.954 USER MOD Single : A 19 MET CE :methyl -171:sc= -6.1! (180deg=-6.43!) USER MOD Single : A 20 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 22 ASN : amide:sc= 0.51 K(o=0.51,f=-8.7!) USER MOD Single : A 31 ASN : amide:sc= -0.664 K(o=-0.66,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= -0.0205 (180deg=-0.0372) USER MOD Single : A 37 SER OG : rot -55:sc= 0.00862 USER MOD Single : A 40 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.44) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.931 -4.792 -1.890 1.00 0.00 N ATOM 2 CA MET A 1 11.676 -4.895 -2.680 1.00 0.00 C ATOM 3 C MET A 1 11.135 -6.322 -2.671 1.00 0.00 C ATOM 4 O MET A 1 10.083 -6.595 -2.093 1.00 0.00 O ATOM 5 CB MET A 1 11.965 -4.445 -4.115 1.00 0.00 C ATOM 6 CG MET A 1 10.860 -3.593 -4.717 1.00 0.00 C ATOM 7 SD MET A 1 9.462 -4.575 -5.292 1.00 0.00 S ATOM 8 CE MET A 1 8.306 -4.340 -3.945 1.00 0.00 C ATOM 0 H1 MET A 1 13.094 -3.799 -1.626 1.00 0.00 H new ATOM 0 H2 MET A 1 12.848 -5.370 -1.030 1.00 0.00 H new ATOM 0 H3 MET A 1 13.730 -5.134 -2.461 1.00 0.00 H new ATOM 0 HA MET A 1 10.916 -4.254 -2.232 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.897 -3.880 -4.130 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.116 -5.325 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.514 -2.875 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.263 -3.018 -5.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.239 -5.256 -3.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.651 -3.526 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.323 -4.095 -4.348 1.00 0.00 H new ATOM 20 N ARG A 2 11.860 -7.228 -3.319 1.00 0.00 N ATOM 21 CA ARG A 2 11.453 -8.628 -3.391 1.00 0.00 C ATOM 22 C ARG A 2 11.890 -9.401 -2.149 1.00 0.00 C ATOM 23 O ARG A 2 11.212 -10.334 -1.719 1.00 0.00 O ATOM 24 CB ARG A 2 12.036 -9.285 -4.644 1.00 0.00 C ATOM 25 CG ARG A 2 13.530 -9.046 -4.819 1.00 0.00 C ATOM 26 CD ARG A 2 14.252 -10.292 -5.314 1.00 0.00 C ATOM 27 NE ARG A 2 14.796 -10.111 -6.658 1.00 0.00 N ATOM 28 CZ ARG A 2 15.515 -11.030 -7.303 1.00 0.00 C ATOM 29 NH1 ARG A 2 15.783 -12.202 -6.736 1.00 0.00 N ATOM 30 NH2 ARG A 2 15.968 -10.776 -8.523 1.00 0.00 N ATOM 0 H ARG A 2 12.733 -7.018 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 2 10.365 -8.655 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.851 -10.358 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.511 -8.906 -5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.687 -8.231 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.961 -8.731 -3.869 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.060 -10.540 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.562 -11.136 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 2 14.614 -9.226 -7.132 1.00 0.00 H new ATOM 0 HH11 ARG A 2 15.438 -12.406 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 2 16.334 -12.898 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 2 15.766 -9.879 -8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 2 16.518 -11.477 -9.019 1.00 0.00 H new ATOM 44 N LYS A 3 13.031 -9.018 -1.584 1.00 0.00 N ATOM 45 CA LYS A 3 13.559 -9.689 -0.400 1.00 0.00 C ATOM 46 C LYS A 3 12.992 -9.086 0.884 1.00 0.00 C ATOM 47 O LYS A 3 13.702 -8.420 1.638 1.00 0.00 O ATOM 48 CB LYS A 3 15.089 -9.611 -0.386 1.00 0.00 C ATOM 49 CG LYS A 3 15.627 -8.188 -0.344 1.00 0.00 C ATOM 50 CD LYS A 3 16.202 -7.763 -1.687 1.00 0.00 C ATOM 51 CE LYS A 3 16.774 -6.356 -1.627 1.00 0.00 C ATOM 52 NZ LYS A 3 18.248 -6.365 -1.412 1.00 0.00 N ATOM 0 H LYS A 3 13.607 -8.248 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 3 13.252 -10.734 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.464 -10.158 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.478 -10.111 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.827 -7.505 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.399 -8.113 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.983 -8.462 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.423 -7.808 -2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.546 -5.831 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.293 -5.802 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.600 -5.387 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.465 -6.843 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.710 -6.871 -2.194 1.00 0.00 H new ATOM 66 N LEU A 4 11.708 -9.328 1.129 1.00 0.00 N ATOM 67 CA LEU A 4 11.048 -8.812 2.325 1.00 0.00 C ATOM 68 C LEU A 4 9.942 -9.756 2.786 1.00 0.00 C ATOM 69 O LEU A 4 9.255 -10.370 1.970 1.00 0.00 O ATOM 70 CB LEU A 4 10.457 -7.423 2.065 1.00 0.00 C ATOM 71 CG LEU A 4 11.259 -6.530 1.114 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.388 -5.402 0.584 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.487 -5.971 1.818 1.00 0.00 C ATOM 0 H LEU A 4 11.104 -9.877 0.517 1.00 0.00 H new ATOM 0 HA LEU A 4 11.801 -8.737 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.453 -7.545 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.355 -6.907 3.020 1.00 0.00 H new ATOM 0 HG LEU A 4 11.592 -7.134 0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.973 -4.777 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.538 -5.821 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.027 -4.799 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.046 -5.339 1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.175 -5.381 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.121 -6.793 2.151 1.00 0.00 H new ATOM 85 N SER A 5 9.769 -9.855 4.099 1.00 0.00 N ATOM 86 CA SER A 5 8.737 -10.710 4.674 1.00 0.00 C ATOM 87 C SER A 5 7.386 -10.016 4.613 1.00 0.00 C ATOM 88 O SER A 5 7.314 -8.799 4.442 1.00 0.00 O ATOM 89 CB SER A 5 9.082 -11.059 6.123 1.00 0.00 C ATOM 90 OG SER A 5 10.133 -12.007 6.181 1.00 0.00 O ATOM 0 H SER A 5 10.331 -9.353 4.786 1.00 0.00 H new ATOM 0 HA SER A 5 8.687 -11.632 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.373 -10.155 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.200 -11.457 6.625 1.00 0.00 H new ATOM 0 HG SER A 5 10.337 -12.213 7.117 1.00 0.00 H new ATOM 96 N ASP A 6 6.311 -10.785 4.766 1.00 0.00 N ATOM 97 CA ASP A 6 4.964 -10.207 4.736 1.00 0.00 C ATOM 98 C ASP A 6 4.827 -9.145 5.825 1.00 0.00 C ATOM 99 O ASP A 6 4.038 -8.211 5.701 1.00 0.00 O ATOM 100 CB ASP A 6 3.856 -11.266 4.910 1.00 0.00 C ATOM 101 CG ASP A 6 4.239 -12.649 4.406 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.982 -13.357 5.119 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.794 -13.022 3.301 1.00 0.00 O ATOM 0 H ASP A 6 6.341 -11.794 4.910 1.00 0.00 H new ATOM 0 HA ASP A 6 4.835 -9.758 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.595 -11.334 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.962 -10.933 4.382 1.00 0.00 H new ATOM 108 N GLU A 7 5.613 -9.290 6.889 1.00 0.00 N ATOM 109 CA GLU A 7 5.580 -8.335 7.988 1.00 0.00 C ATOM 110 C GLU A 7 6.297 -7.050 7.597 1.00 0.00 C ATOM 111 O GLU A 7 5.881 -5.957 7.975 1.00 0.00 O ATOM 112 CB GLU A 7 6.211 -8.945 9.244 1.00 0.00 C ATOM 113 CG GLU A 7 5.202 -9.273 10.331 1.00 0.00 C ATOM 114 CD GLU A 7 4.260 -10.391 9.933 1.00 0.00 C ATOM 115 OE1 GLU A 7 4.649 -11.571 10.067 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.133 -10.089 9.488 1.00 0.00 O ATOM 0 H GLU A 7 6.276 -10.055 7.011 1.00 0.00 H new ATOM 0 HA GLU A 7 4.540 -8.094 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.744 -9.855 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.950 -8.251 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.732 -9.556 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.622 -8.380 10.565 1.00 0.00 H new ATOM 123 N LEU A 8 7.369 -7.195 6.830 1.00 0.00 N ATOM 124 CA LEU A 8 8.144 -6.048 6.372 1.00 0.00 C ATOM 125 C LEU A 8 7.490 -5.412 5.151 1.00 0.00 C ATOM 126 O LEU A 8 7.540 -4.197 4.965 1.00 0.00 O ATOM 127 CB LEU A 8 9.571 -6.469 6.039 1.00 0.00 C ATOM 128 CG LEU A 8 10.520 -6.485 7.234 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.730 -5.077 7.768 1.00 0.00 C ATOM 130 CD2 LEU A 8 9.983 -7.398 8.327 1.00 0.00 C ATOM 0 H LEU A 8 7.723 -8.097 6.511 1.00 0.00 H new ATOM 0 HA LEU A 8 8.172 -5.312 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.549 -7.464 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.969 -5.792 5.283 1.00 0.00 H new ATOM 0 HG LEU A 8 11.484 -6.873 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.409 -5.108 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.158 -4.451 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.773 -4.661 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.672 -7.398 9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.007 -7.039 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.885 -8.412 7.939 1.00 0.00 H new ATOM 142 N LEU A 9 6.870 -6.250 4.326 1.00 0.00 N ATOM 143 CA LEU A 9 6.196 -5.784 3.121 1.00 0.00 C ATOM 144 C LEU A 9 4.876 -5.112 3.471 1.00 0.00 C ATOM 145 O LEU A 9 4.557 -4.039 2.959 1.00 0.00 O ATOM 146 CB LEU A 9 5.958 -6.958 2.163 1.00 0.00 C ATOM 147 CG LEU A 9 5.135 -6.632 0.914 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.017 -6.014 -0.161 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.448 -7.884 0.387 1.00 0.00 C ATOM 0 H LEU A 9 6.821 -7.258 4.472 1.00 0.00 H new ATOM 0 HA LEU A 9 6.834 -5.050 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.925 -7.349 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.455 -7.755 2.711 1.00 0.00 H new ATOM 0 HG LEU A 9 4.368 -5.907 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.415 -5.789 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.463 -5.094 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.807 -6.715 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.867 -7.634 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.199 -8.631 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.785 -8.285 1.153 1.00 0.00 H new ATOM 161 N ILE A 10 4.114 -5.746 4.351 1.00 0.00 N ATOM 162 CA ILE A 10 2.835 -5.201 4.764 1.00 0.00 C ATOM 163 C ILE A 10 3.041 -3.961 5.626 1.00 0.00 C ATOM 164 O ILE A 10 2.260 -3.013 5.562 1.00 0.00 O ATOM 165 CB ILE A 10 1.990 -6.255 5.508 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.688 -7.411 4.561 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.691 -5.656 6.039 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.346 -8.692 5.271 1.00 0.00 C ATOM 0 H ILE A 10 4.360 -6.634 4.789 1.00 0.00 H new ATOM 0 HA ILE A 10 2.285 -4.913 3.868 1.00 0.00 H new ATOM 0 HB ILE A 10 2.559 -6.615 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.858 -7.132 3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.552 -7.580 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.120 -6.426 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.920 -4.846 6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.103 -5.267 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.143 -9.472 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.184 -8.995 5.899 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.463 -8.539 5.892 1.00 0.00 H new ATOM 180 N GLU A 11 4.111 -3.966 6.410 1.00 0.00 N ATOM 181 CA GLU A 11 4.428 -2.827 7.255 1.00 0.00 C ATOM 182 C GLU A 11 4.700 -1.598 6.399 1.00 0.00 C ATOM 183 O GLU A 11 4.467 -0.472 6.827 1.00 0.00 O ATOM 184 CB GLU A 11 5.639 -3.129 8.134 1.00 0.00 C ATOM 185 CG GLU A 11 5.281 -3.739 9.478 1.00 0.00 C ATOM 186 CD GLU A 11 4.606 -2.750 10.407 1.00 0.00 C ATOM 187 OE1 GLU A 11 5.307 -1.864 10.941 1.00 0.00 O ATOM 188 OE2 GLU A 11 3.378 -2.862 10.603 1.00 0.00 O ATOM 0 H GLU A 11 4.769 -4.742 6.477 1.00 0.00 H new ATOM 0 HA GLU A 11 3.572 -2.629 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.303 -3.810 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.195 -2.206 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.621 -4.592 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.186 -4.118 9.953 1.00 0.00 H new ATOM 195 N SER A 12 5.183 -1.824 5.179 1.00 0.00 N ATOM 196 CA SER A 12 5.466 -0.729 4.262 1.00 0.00 C ATOM 197 C SER A 12 4.161 -0.154 3.733 1.00 0.00 C ATOM 198 O SER A 12 3.960 1.060 3.724 1.00 0.00 O ATOM 199 CB SER A 12 6.342 -1.209 3.102 1.00 0.00 C ATOM 200 OG SER A 12 7.386 -2.049 3.564 1.00 0.00 O ATOM 0 H SER A 12 5.385 -2.752 4.807 1.00 0.00 H new ATOM 0 HA SER A 12 6.009 0.048 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.730 -1.749 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.766 -0.350 2.582 1.00 0.00 H new ATOM 0 HG SER A 12 7.017 -2.922 3.812 1.00 0.00 H new ATOM 206 N TYR A 13 3.266 -1.042 3.311 1.00 0.00 N ATOM 207 CA TYR A 13 1.967 -0.629 2.803 1.00 0.00 C ATOM 208 C TYR A 13 1.175 0.056 3.907 1.00 0.00 C ATOM 209 O TYR A 13 0.469 1.035 3.670 1.00 0.00 O ATOM 210 CB TYR A 13 1.188 -1.836 2.281 1.00 0.00 C ATOM 211 CG TYR A 13 -0.107 -1.471 1.590 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.103 -0.771 0.389 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.332 -1.826 2.138 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.284 -0.435 -0.244 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.518 -1.493 1.511 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.489 -0.797 0.320 1.00 0.00 C ATOM 217 OH TYR A 13 -3.666 -0.464 -0.307 1.00 0.00 O ATOM 0 H TYR A 13 3.418 -2.051 3.312 1.00 0.00 H new ATOM 0 HA TYR A 13 2.121 0.070 1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.817 -2.390 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.969 -2.504 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.839 -0.485 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.359 -2.371 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.264 0.109 -1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.463 -1.776 1.951 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.423 -0.794 0.221 1.00 0.00 H new ATOM 227 N PHE A 14 1.306 -0.472 5.119 1.00 0.00 N ATOM 228 CA PHE A 14 0.614 0.079 6.275 1.00 0.00 C ATOM 229 C PHE A 14 1.255 1.397 6.698 1.00 0.00 C ATOM 230 O PHE A 14 0.567 2.390 6.940 1.00 0.00 O ATOM 231 CB PHE A 14 0.645 -0.928 7.431 1.00 0.00 C ATOM 232 CG PHE A 14 -0.245 -2.142 7.250 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.780 -2.479 6.008 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.538 -2.957 8.334 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.582 -3.595 5.859 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.342 -4.074 8.188 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.864 -4.393 6.949 1.00 0.00 C ATOM 0 H PHE A 14 1.888 -1.284 5.325 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.424 0.273 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.672 -1.267 7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.352 -0.415 8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.565 -1.860 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.133 -2.716 9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.988 -3.842 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.561 -4.697 9.043 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.491 -5.265 6.834 1.00 0.00 H new ATOM 247 N LYS A 15 2.582 1.399 6.770 1.00 0.00 N ATOM 248 CA LYS A 15 3.328 2.590 7.147 1.00 0.00 C ATOM 249 C LYS A 15 3.150 3.683 6.103 1.00 0.00 C ATOM 250 O LYS A 15 2.951 4.849 6.437 1.00 0.00 O ATOM 251 CB LYS A 15 4.815 2.260 7.299 1.00 0.00 C ATOM 252 CG LYS A 15 5.152 1.553 8.604 1.00 0.00 C ATOM 253 CD LYS A 15 5.016 2.485 9.804 1.00 0.00 C ATOM 254 CE LYS A 15 4.046 1.935 10.838 1.00 0.00 C ATOM 255 NZ LYS A 15 4.019 2.765 12.073 1.00 0.00 N ATOM 0 H LYS A 15 3.163 0.585 6.571 1.00 0.00 H new ATOM 0 HA LYS A 15 2.942 2.947 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.126 1.632 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.392 3.183 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.492 0.695 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.171 1.168 8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.993 2.631 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.673 3.463 9.468 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.045 1.891 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.329 0.914 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.346 2.356 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.968 2.787 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.724 3.733 11.834 1.00 0.00 H new ATOM 269 N ALA A 16 3.229 3.291 4.836 1.00 0.00 N ATOM 270 CA ALA A 16 3.086 4.231 3.734 1.00 0.00 C ATOM 271 C ALA A 16 1.702 4.866 3.715 1.00 0.00 C ATOM 272 O ALA A 16 1.560 6.045 3.399 1.00 0.00 O ATOM 273 CB ALA A 16 3.373 3.542 2.409 1.00 0.00 C ATOM 0 H ALA A 16 3.392 2.326 4.548 1.00 0.00 H new ATOM 0 HA ALA A 16 3.814 5.029 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.262 4.258 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.391 3.153 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.672 2.720 2.267 1.00 0.00 H new ATOM 279 N THR A 17 0.683 4.086 4.055 1.00 0.00 N ATOM 280 CA THR A 17 -0.679 4.598 4.075 1.00 0.00 C ATOM 281 C THR A 17 -0.844 5.624 5.192 1.00 0.00 C ATOM 282 O THR A 17 -1.618 6.574 5.069 1.00 0.00 O ATOM 283 CB THR A 17 -1.682 3.458 4.255 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.360 2.678 5.393 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.750 2.528 3.064 1.00 0.00 C ATOM 0 H THR A 17 0.774 3.105 4.318 1.00 0.00 H new ATOM 0 HA THR A 17 -0.875 5.084 3.119 1.00 0.00 H new ATOM 0 HB THR A 17 -2.651 3.943 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.486 2.953 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.480 1.742 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.048 3.091 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.771 2.080 2.896 1.00 0.00 H new ATOM 293 N GLU A 18 -0.111 5.422 6.284 1.00 0.00 N ATOM 294 CA GLU A 18 -0.174 6.325 7.428 1.00 0.00 C ATOM 295 C GLU A 18 0.567 7.631 7.151 1.00 0.00 C ATOM 296 O GLU A 18 0.057 8.717 7.429 1.00 0.00 O ATOM 297 CB GLU A 18 0.405 5.640 8.670 1.00 0.00 C ATOM 298 CG GLU A 18 -0.656 5.125 9.629 1.00 0.00 C ATOM 299 CD GLU A 18 -1.038 6.149 10.680 1.00 0.00 C ATOM 300 OE1 GLU A 18 -0.978 7.359 10.380 1.00 0.00 O ATOM 301 OE2 GLU A 18 -1.396 5.739 11.805 1.00 0.00 O ATOM 0 H GLU A 18 0.534 4.640 6.400 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.221 6.569 7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.034 4.807 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.048 6.345 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.544 4.841 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.289 4.224 10.121 1.00 0.00 H new ATOM 308 N MET A 19 1.772 7.516 6.611 1.00 0.00 N ATOM 309 CA MET A 19 2.592 8.681 6.306 1.00 0.00 C ATOM 310 C MET A 19 2.213 9.320 4.967 1.00 0.00 C ATOM 311 O MET A 19 2.624 10.442 4.672 1.00 0.00 O ATOM 312 CB MET A 19 4.066 8.281 6.290 1.00 0.00 C ATOM 313 CG MET A 19 4.453 7.384 5.125 1.00 0.00 C ATOM 314 SD MET A 19 6.229 7.088 5.035 1.00 0.00 S ATOM 315 CE MET A 19 6.276 5.302 5.131 1.00 0.00 C ATOM 0 H MET A 19 2.205 6.624 6.374 1.00 0.00 H new ATOM 0 HA MET A 19 2.414 9.423 7.084 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.676 9.184 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.303 7.769 7.223 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.934 6.430 5.218 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.117 7.840 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.308 4.971 5.249 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.688 4.968 5.986 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.861 4.877 4.217 1.00 0.00 H new ATOM 325 N ASN A 20 1.449 8.595 4.151 1.00 0.00 N ATOM 326 CA ASN A 20 1.037 9.080 2.834 1.00 0.00 C ATOM 327 C ASN A 20 2.208 9.007 1.862 1.00 0.00 C ATOM 328 O ASN A 20 2.405 9.897 1.033 1.00 0.00 O ATOM 329 CB ASN A 20 0.495 10.513 2.907 1.00 0.00 C ATOM 330 CG ASN A 20 -0.444 10.719 4.079 1.00 0.00 C ATOM 331 OD1 ASN A 20 -0.005 10.926 5.211 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.744 10.664 3.814 1.00 0.00 N ATOM 0 H ASN A 20 1.101 7.664 4.381 1.00 0.00 H new ATOM 0 HA ASN A 20 0.232 8.439 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.329 11.210 2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.029 10.748 1.980 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.423 10.796 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.063 10.490 2.861 1.00 0.00 H new ATOM 339 N LEU A 21 2.984 7.932 1.979 1.00 0.00 N ATOM 340 CA LEU A 21 4.149 7.712 1.126 1.00 0.00 C ATOM 341 C LEU A 21 3.747 7.728 -0.348 1.00 0.00 C ATOM 342 O LEU A 21 2.582 7.510 -0.679 1.00 0.00 O ATOM 343 CB LEU A 21 4.797 6.368 1.483 1.00 0.00 C ATOM 344 CG LEU A 21 6.293 6.248 1.181 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.924 5.171 2.054 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.530 5.951 -0.298 1.00 0.00 C ATOM 0 H LEU A 21 2.824 7.193 2.664 1.00 0.00 H new ATOM 0 HA LEU A 21 4.866 8.516 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.644 6.184 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.272 5.579 0.944 1.00 0.00 H new ATOM 0 HG LEU A 21 6.766 7.203 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.988 5.097 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.793 5.431 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.443 4.213 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.601 5.871 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.044 5.012 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.115 6.758 -0.902 1.00 0.00 H new ATOM 358 N ASN A 22 4.716 7.993 -1.229 1.00 0.00 N ATOM 359 CA ASN A 22 4.471 8.044 -2.677 1.00 0.00 C ATOM 360 C ASN A 22 3.569 6.899 -3.148 1.00 0.00 C ATOM 361 O ASN A 22 3.766 5.744 -2.774 1.00 0.00 O ATOM 362 CB ASN A 22 5.798 8.000 -3.436 1.00 0.00 C ATOM 363 CG ASN A 22 5.642 8.379 -4.895 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.932 7.713 -5.649 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.310 9.452 -5.304 1.00 0.00 N ATOM 0 H ASN A 22 5.684 8.177 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 22 3.956 8.981 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.508 8.678 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.220 6.997 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.246 9.753 -6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.887 9.975 -4.645 1.00 0.00 H new ATOM 372 N ARG A 23 2.575 7.239 -3.964 1.00 0.00 N ATOM 373 CA ARG A 23 1.628 6.255 -4.483 1.00 0.00 C ATOM 374 C ARG A 23 2.337 5.102 -5.184 1.00 0.00 C ATOM 375 O ARG A 23 1.818 3.988 -5.236 1.00 0.00 O ATOM 376 CB ARG A 23 0.649 6.924 -5.448 1.00 0.00 C ATOM 377 CG ARG A 23 -0.567 6.068 -5.772 1.00 0.00 C ATOM 378 CD ARG A 23 -1.802 6.538 -5.018 1.00 0.00 C ATOM 379 NE ARG A 23 -3.029 6.294 -5.774 1.00 0.00 N ATOM 380 CZ ARG A 23 -4.252 6.312 -5.242 1.00 0.00 C ATOM 381 NH1 ARG A 23 -4.424 6.564 -3.950 1.00 0.00 N ATOM 382 NH2 ARG A 23 -5.308 6.077 -6.009 1.00 0.00 N ATOM 0 H ARG A 23 2.404 8.193 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 23 1.082 5.845 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.314 7.868 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.171 7.164 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.760 6.101 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.359 5.029 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.859 6.024 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.713 7.603 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.945 6.098 -6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.617 6.746 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.364 6.575 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.184 5.883 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.245 6.090 -5.605 1.00 0.00 H new ATOM 396 N ASP A 24 3.516 5.371 -5.727 1.00 0.00 N ATOM 397 CA ASP A 24 4.273 4.342 -6.428 1.00 0.00 C ATOM 398 C ASP A 24 4.729 3.250 -5.468 1.00 0.00 C ATOM 399 O ASP A 24 4.723 2.068 -5.812 1.00 0.00 O ATOM 400 CB ASP A 24 5.477 4.956 -7.144 1.00 0.00 C ATOM 401 CG ASP A 24 5.725 4.329 -8.501 1.00 0.00 C ATOM 402 OD1 ASP A 24 5.912 3.095 -8.560 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.732 5.070 -9.506 1.00 0.00 O ATOM 0 H ASP A 24 3.967 6.285 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 24 3.617 3.890 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.316 6.027 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.365 4.836 -6.524 1.00 0.00 H new ATOM 408 N PHE A 25 5.111 3.646 -4.259 1.00 0.00 N ATOM 409 CA PHE A 25 5.549 2.690 -3.253 1.00 0.00 C ATOM 410 C PHE A 25 4.340 1.957 -2.696 1.00 0.00 C ATOM 411 O PHE A 25 4.372 0.745 -2.487 1.00 0.00 O ATOM 412 CB PHE A 25 6.305 3.398 -2.128 1.00 0.00 C ATOM 413 CG PHE A 25 7.275 2.508 -1.404 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.144 1.691 -2.111 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.317 2.486 -0.019 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.038 0.871 -1.449 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.209 1.669 0.648 1.00 0.00 C ATOM 418 CZ PHE A 25 9.071 0.859 -0.068 1.00 0.00 C ATOM 0 H PHE A 25 5.126 4.619 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 25 6.227 1.972 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.845 4.249 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.586 3.796 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.122 1.695 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.644 3.115 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.710 0.240 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.233 1.663 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.768 0.218 0.451 1.00 0.00 H new ATOM 428 N ILE A 26 3.265 2.705 -2.484 1.00 0.00 N ATOM 429 CA ILE A 26 2.026 2.139 -1.978 1.00 0.00 C ATOM 430 C ILE A 26 1.478 1.120 -2.974 1.00 0.00 C ATOM 431 O ILE A 26 1.087 0.017 -2.596 1.00 0.00 O ATOM 432 CB ILE A 26 0.977 3.249 -1.715 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.474 4.188 -0.612 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.379 2.654 -1.338 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.497 5.291 -0.262 1.00 0.00 C ATOM 0 H ILE A 26 3.229 3.710 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 26 2.235 1.640 -1.032 1.00 0.00 H new ATOM 0 HB ILE A 26 0.845 3.818 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.683 3.603 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.416 4.636 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.093 3.459 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.738 2.024 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.275 2.055 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.919 5.914 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.306 5.902 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.439 4.852 0.085 1.00 0.00 H new ATOM 447 N GLU A 27 1.467 1.494 -4.249 1.00 0.00 N ATOM 448 CA GLU A 27 0.980 0.605 -5.292 1.00 0.00 C ATOM 449 C GLU A 27 1.958 -0.544 -5.504 1.00 0.00 C ATOM 450 O GLU A 27 1.561 -1.664 -5.825 1.00 0.00 O ATOM 451 CB GLU A 27 0.778 1.374 -6.599 1.00 0.00 C ATOM 452 CG GLU A 27 -0.465 0.952 -7.366 1.00 0.00 C ATOM 453 CD GLU A 27 -0.995 2.051 -8.267 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.471 2.201 -9.391 1.00 0.00 O ATOM 455 OE2 GLU A 27 -1.935 2.760 -7.850 1.00 0.00 O ATOM 0 H GLU A 27 1.789 2.403 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 27 0.020 0.196 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.714 2.439 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.653 1.232 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.235 0.073 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.242 0.660 -6.659 1.00 0.00 H new ATOM 462 N LEU A 28 3.239 -0.255 -5.312 1.00 0.00 N ATOM 463 CA LEU A 28 4.284 -1.254 -5.468 1.00 0.00 C ATOM 464 C LEU A 28 4.166 -2.311 -4.372 1.00 0.00 C ATOM 465 O LEU A 28 4.209 -3.512 -4.646 1.00 0.00 O ATOM 466 CB LEU A 28 5.661 -0.564 -5.441 1.00 0.00 C ATOM 467 CG LEU A 28 6.865 -1.448 -5.100 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.131 -0.887 -5.730 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.029 -1.558 -3.592 1.00 0.00 C ATOM 0 H LEU A 28 3.579 0.669 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 28 4.172 -1.759 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.835 -0.113 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.620 0.250 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 28 6.689 -2.445 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.977 -1.527 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.013 -0.851 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.311 0.119 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.888 -2.189 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.186 -0.565 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.131 -1.999 -3.159 1.00 0.00 H new ATOM 481 N ILE A 29 3.996 -1.859 -3.137 1.00 0.00 N ATOM 482 CA ILE A 29 3.853 -2.770 -2.015 1.00 0.00 C ATOM 483 C ILE A 29 2.519 -3.500 -2.103 1.00 0.00 C ATOM 484 O ILE A 29 2.403 -4.657 -1.704 1.00 0.00 O ATOM 485 CB ILE A 29 3.946 -2.034 -0.664 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.209 -1.172 -0.610 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.937 -3.030 0.483 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.011 0.144 0.111 1.00 0.00 C ATOM 0 H ILE A 29 3.954 -0.870 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 29 4.673 -3.486 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 29 3.078 -1.382 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.001 -1.733 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.547 -0.973 -1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.003 -2.495 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.013 -3.607 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.788 -3.704 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.947 0.703 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.241 0.725 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.702 -0.047 1.139 1.00 0.00 H new ATOM 500 N GLU A 30 1.516 -2.816 -2.648 1.00 0.00 N ATOM 501 CA GLU A 30 0.192 -3.401 -2.809 1.00 0.00 C ATOM 502 C GLU A 30 0.184 -4.368 -3.987 1.00 0.00 C ATOM 503 O GLU A 30 -0.527 -5.373 -3.975 1.00 0.00 O ATOM 504 CB GLU A 30 -0.853 -2.304 -3.023 1.00 0.00 C ATOM 505 CG GLU A 30 -2.266 -2.727 -2.658 1.00 0.00 C ATOM 506 CD GLU A 30 -3.321 -1.971 -3.442 1.00 0.00 C ATOM 507 OE1 GLU A 30 -2.992 -1.441 -4.523 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.477 -1.911 -2.974 1.00 0.00 O ATOM 0 H GLU A 30 1.597 -1.857 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.058 -3.949 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.579 -1.433 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.834 -1.995 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.380 -3.796 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.426 -2.566 -1.592 1.00 0.00 H new ATOM 515 N ASN A 31 0.987 -4.056 -5.001 1.00 0.00 N ATOM 516 CA ASN A 31 1.084 -4.895 -6.188 1.00 0.00 C ATOM 517 C ASN A 31 1.765 -6.219 -5.864 1.00 0.00 C ATOM 518 O ASN A 31 1.485 -7.241 -6.491 1.00 0.00 O ATOM 519 CB ASN A 31 1.852 -4.161 -7.290 1.00 0.00 C ATOM 520 CG ASN A 31 0.957 -3.254 -8.112 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.102 -2.826 -7.654 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.380 -2.956 -9.336 1.00 0.00 N ATOM 0 H ASN A 31 1.580 -3.226 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 31 0.075 -5.108 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.650 -3.570 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.327 -4.891 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.820 -2.350 -9.936 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.265 -3.333 -9.676 1.00 0.00 H new ATOM 529 N GLU A 32 2.650 -6.201 -4.872 1.00 0.00 N ATOM 530 CA GLU A 32 3.352 -7.408 -4.458 1.00 0.00 C ATOM 531 C GLU A 32 2.451 -8.238 -3.560 1.00 0.00 C ATOM 532 O GLU A 32 2.335 -9.453 -3.721 1.00 0.00 O ATOM 533 CB GLU A 32 4.647 -7.054 -3.725 1.00 0.00 C ATOM 534 CG GLU A 32 5.607 -8.224 -3.586 1.00 0.00 C ATOM 535 CD GLU A 32 6.441 -8.445 -4.833 1.00 0.00 C ATOM 536 OE1 GLU A 32 5.928 -9.066 -5.787 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.607 -7.998 -4.854 1.00 0.00 O ATOM 0 H GLU A 32 2.897 -5.365 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 32 3.610 -7.987 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.147 -6.246 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.401 -6.677 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.268 -8.048 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.041 -9.129 -3.367 1.00 0.00 H new ATOM 544 N ILE A 33 1.796 -7.559 -2.629 1.00 0.00 N ATOM 545 CA ILE A 33 0.876 -8.209 -1.711 1.00 0.00 C ATOM 546 C ILE A 33 -0.305 -8.783 -2.491 1.00 0.00 C ATOM 547 O ILE A 33 -0.849 -9.828 -2.135 1.00 0.00 O ATOM 548 CB ILE A 33 0.374 -7.209 -0.641 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.556 -6.673 0.169 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.659 -7.848 0.288 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.268 -5.355 0.855 1.00 0.00 C ATOM 0 H ILE A 33 1.887 -6.553 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 33 1.400 -9.018 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.114 -6.383 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.836 -7.411 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.414 -6.550 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.988 -7.116 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.515 -8.184 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.211 -8.701 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.149 -5.034 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.017 -4.603 0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.430 -5.478 1.542 1.00 0.00 H new ATOM 563 N LYS A 34 -0.688 -8.094 -3.562 1.00 0.00 N ATOM 564 CA LYS A 34 -1.793 -8.540 -4.397 1.00 0.00 C ATOM 565 C LYS A 34 -1.403 -9.804 -5.154 1.00 0.00 C ATOM 566 O LYS A 34 -2.145 -10.786 -5.172 1.00 0.00 O ATOM 567 CB LYS A 34 -2.192 -7.434 -5.379 1.00 0.00 C ATOM 568 CG LYS A 34 -3.366 -6.596 -4.901 1.00 0.00 C ATOM 569 CD LYS A 34 -3.783 -5.569 -5.944 1.00 0.00 C ATOM 570 CE LYS A 34 -4.103 -4.227 -5.309 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.183 -3.509 -6.040 1.00 0.00 N ATOM 0 H LYS A 34 -0.249 -7.226 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.647 -8.765 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.335 -6.782 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.444 -7.885 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.210 -7.247 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.097 -6.087 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.983 -5.445 -6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.656 -5.933 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.405 -4.379 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.204 -3.610 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.406 -2.622 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.865 -3.296 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.033 -4.107 -6.079 1.00 0.00 H new ATOM 585 N ARG A 35 -0.220 -9.779 -5.764 1.00 0.00 N ATOM 586 CA ARG A 35 0.282 -10.928 -6.506 1.00 0.00 C ATOM 587 C ARG A 35 0.670 -12.058 -5.553 1.00 0.00 C ATOM 588 O ARG A 35 0.678 -13.228 -5.933 1.00 0.00 O ATOM 589 CB ARG A 35 1.488 -10.525 -7.356 1.00 0.00 C ATOM 590 CG ARG A 35 1.865 -11.561 -8.406 1.00 0.00 C ATOM 591 CD ARG A 35 1.538 -11.084 -9.813 1.00 0.00 C ATOM 592 NE ARG A 35 0.287 -11.658 -10.309 1.00 0.00 N ATOM 593 CZ ARG A 35 -0.180 -11.475 -11.544 1.00 0.00 C ATOM 594 NH1 ARG A 35 0.493 -10.736 -12.420 1.00 0.00 N ATOM 595 NH2 ARG A 35 -1.326 -12.035 -11.906 1.00 0.00 N ATOM 0 H ARG A 35 0.407 -8.975 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.512 -11.284 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.273 -9.579 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.343 -10.355 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.930 -11.780 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.334 -12.492 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.466 -9.996 -9.820 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.352 -11.353 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.262 -12.234 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.376 -10.302 -12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.127 -10.602 -13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.848 -12.604 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.685 -11.896 -12.850 1.00 0.00 H new ATOM 609 N ARG A 36 0.992 -11.697 -4.310 1.00 0.00 N ATOM 610 CA ARG A 36 1.380 -12.675 -3.301 1.00 0.00 C ATOM 611 C ARG A 36 0.164 -13.358 -2.664 1.00 0.00 C ATOM 612 O ARG A 36 0.316 -14.156 -1.739 1.00 0.00 O ATOM 613 CB ARG A 36 2.216 -11.994 -2.213 1.00 0.00 C ATOM 614 CG ARG A 36 3.694 -11.898 -2.550 1.00 0.00 C ATOM 615 CD ARG A 36 4.509 -11.442 -1.351 1.00 0.00 C ATOM 616 NE ARG A 36 5.926 -11.771 -1.493 1.00 0.00 N ATOM 617 CZ ARG A 36 6.815 -11.698 -0.503 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.444 -11.306 0.712 1.00 0.00 N ATOM 619 NH2 ARG A 36 8.083 -12.016 -0.728 1.00 0.00 N ATOM 0 H ARG A 36 0.991 -10.732 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 36 1.970 -13.445 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.825 -10.991 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.100 -12.545 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.055 -12.869 -2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.836 -11.200 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.398 -10.365 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.117 -11.910 -0.448 1.00 0.00 H new ATOM 0 HE ARG A 36 6.256 -12.076 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.471 -11.058 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.132 -11.253 1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.376 -12.316 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.765 -11.961 0.029 1.00 0.00 H new ATOM 633 N SER A 37 -1.043 -13.046 -3.146 1.00 0.00 N ATOM 634 CA SER A 37 -2.255 -13.641 -2.594 1.00 0.00 C ATOM 635 C SER A 37 -2.404 -13.270 -1.124 1.00 0.00 C ATOM 636 O SER A 37 -2.899 -14.057 -0.316 1.00 0.00 O ATOM 637 CB SER A 37 -2.223 -15.163 -2.749 1.00 0.00 C ATOM 638 OG SER A 37 -3.531 -15.706 -2.718 1.00 0.00 O ATOM 0 H SER A 37 -1.202 -12.390 -3.911 1.00 0.00 H new ATOM 0 HA SER A 37 -3.111 -13.251 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.739 -15.426 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.625 -15.601 -1.950 1.00 0.00 H new ATOM 0 HG SER A 37 -3.981 -15.428 -1.893 1.00 0.00 H new ATOM 644 N LEU A 38 -1.960 -12.064 -0.786 1.00 0.00 N ATOM 645 CA LEU A 38 -2.027 -11.574 0.584 1.00 0.00 C ATOM 646 C LEU A 38 -2.830 -10.274 0.657 1.00 0.00 C ATOM 647 O LEU A 38 -2.659 -9.483 1.583 1.00 0.00 O ATOM 648 CB LEU A 38 -0.611 -11.355 1.112 1.00 0.00 C ATOM 649 CG LEU A 38 -0.459 -11.467 2.625 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.592 -12.916 3.066 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.878 -10.896 3.062 1.00 0.00 C ATOM 0 H LEU A 38 -1.548 -11.405 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.533 -12.316 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.052 -12.081 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.273 -10.367 0.801 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.253 -10.891 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.481 -12.979 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.573 -13.295 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.183 -13.515 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.974 -10.982 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.685 -11.449 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.937 -9.846 2.775 1.00 0.00 H new ATOM 663 N GLY A 39 -3.714 -10.062 -0.321 1.00 0.00 N ATOM 664 CA GLY A 39 -4.533 -8.862 -0.339 1.00 0.00 C ATOM 665 C GLY A 39 -5.489 -8.796 0.839 1.00 0.00 C ATOM 666 O GLY A 39 -5.947 -7.718 1.215 1.00 0.00 O ATOM 0 H GLY A 39 -3.875 -10.701 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.887 -7.984 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.102 -8.828 -1.268 1.00 0.00 H new ATOM 670 N HIS A 40 -5.788 -9.950 1.429 1.00 0.00 N ATOM 671 CA HIS A 40 -6.686 -10.004 2.575 1.00 0.00 C ATOM 672 C HIS A 40 -6.042 -9.329 3.782 1.00 0.00 C ATOM 673 O HIS A 40 -6.730 -8.765 4.632 1.00 0.00 O ATOM 674 CB HIS A 40 -7.035 -11.455 2.909 1.00 0.00 C ATOM 675 CG HIS A 40 -5.835 -12.318 3.152 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.293 -13.144 2.190 1.00 0.00 N ATOM 677 CD2 HIS A 40 -5.071 -12.479 4.259 1.00 0.00 C ATOM 678 CE1 HIS A 40 -4.248 -13.777 2.694 1.00 0.00 C ATOM 679 NE2 HIS A 40 -4.093 -13.390 3.947 1.00 0.00 N ATOM 0 H HIS A 40 -5.423 -10.855 1.133 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.604 -9.473 2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.671 -11.473 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.617 -11.878 2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -5.206 -11.983 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.627 -14.489 2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.364 -13.716 4.581 1.00 0.00 H new ATOM 688 N ILE A 41 -4.713 -9.389 3.845 1.00 0.00 N ATOM 689 CA ILE A 41 -3.968 -8.783 4.939 1.00 0.00 C ATOM 690 C ILE A 41 -4.114 -7.256 4.901 1.00 0.00 C ATOM 691 O ILE A 41 -4.130 -6.592 5.938 1.00 0.00 O ATOM 692 CB ILE A 41 -2.469 -9.206 4.879 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.841 -9.160 6.271 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.661 -8.357 3.893 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.538 -10.060 7.263 1.00 0.00 C ATOM 0 H ILE A 41 -4.132 -9.853 3.147 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.379 -9.139 5.883 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.441 -10.232 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.793 -9.450 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.864 -8.135 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.624 -8.692 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.080 -8.463 2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.703 -7.310 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.046 -9.983 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.580 -9.756 7.360 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.492 -11.091 6.913 1.00 0.00 H new ATOM 707 N ILE A 42 -4.223 -6.723 3.688 1.00 0.00 N ATOM 708 CA ILE A 42 -4.373 -5.289 3.472 1.00 0.00 C ATOM 709 C ILE A 42 -5.839 -4.903 3.369 1.00 0.00 C ATOM 710 O ILE A 42 -6.231 -3.785 3.703 1.00 0.00 O ATOM 711 CB ILE A 42 -3.659 -4.850 2.172 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.291 -5.501 0.944 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.199 -5.212 2.228 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.763 -4.956 -0.365 1.00 0.00 C ATOM 0 H ILE A 42 -4.210 -7.272 2.829 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.922 -4.787 4.328 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.766 -3.769 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.113 -6.576 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.371 -5.356 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.710 -4.897 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.732 -4.711 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.096 -6.291 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.255 -5.463 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.965 -3.886 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.688 -5.125 -0.422 1.00 0.00 H new ATOM 726 N SER A 43 -6.638 -5.835 2.860 1.00 0.00 N ATOM 727 CA SER A 43 -8.058 -5.615 2.650 1.00 0.00 C ATOM 728 C SER A 43 -8.245 -4.693 1.454 1.00 0.00 C ATOM 729 O SER A 43 -8.578 -3.518 1.603 1.00 0.00 O ATOM 730 CB SER A 43 -8.735 -5.028 3.896 1.00 0.00 C ATOM 731 OG SER A 43 -10.136 -5.235 3.858 1.00 0.00 O ATOM 0 H SER A 43 -6.316 -6.762 2.583 1.00 0.00 H new ATOM 0 HA SER A 43 -8.533 -6.576 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.320 -5.490 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.523 -3.961 3.961 1.00 0.00 H new ATOM 0 HG SER A 43 -10.545 -4.854 4.663 1.00 0.00 H new ATOM 737 N VAL A 44 -7.998 -5.236 0.267 1.00 0.00 N ATOM 738 CA VAL A 44 -8.106 -4.462 -0.967 1.00 0.00 C ATOM 739 C VAL A 44 -9.565 -4.159 -1.287 1.00 0.00 C ATOM 740 O VAL A 44 -10.441 -4.999 -1.085 1.00 0.00 O ATOM 741 CB VAL A 44 -7.472 -5.181 -2.190 1.00 0.00 C ATOM 742 CG1 VAL A 44 -6.997 -4.153 -3.203 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.325 -6.109 -1.794 1.00 0.00 C ATOM 0 H VAL A 44 -7.722 -6.209 0.132 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.553 -3.539 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.244 -5.807 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.553 -4.663 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.844 -3.553 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.253 -3.504 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.918 -6.586 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.542 -5.531 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.695 -6.873 -1.111 1.00 0.00 H new ATOM 753 N SER A 45 -9.819 -2.955 -1.787 1.00 0.00 N ATOM 754 CA SER A 45 -11.176 -2.545 -2.135 1.00 0.00 C ATOM 755 C SER A 45 -11.425 -2.707 -3.631 1.00 0.00 C ATOM 756 O SER A 45 -11.171 -1.793 -4.416 1.00 0.00 O ATOM 757 CB SER A 45 -11.414 -1.092 -1.719 1.00 0.00 C ATOM 758 OG SER A 45 -11.982 -1.020 -0.423 1.00 0.00 O ATOM 0 H SER A 45 -9.106 -2.247 -1.960 1.00 0.00 H new ATOM 0 HA SER A 45 -11.874 -3.187 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.471 -0.546 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.076 -0.608 -2.437 1.00 0.00 H new ATOM 0 HG SER A 45 -12.123 -0.081 -0.179 1.00 0.00 H new ATOM 764 N SER A 46 -11.925 -3.876 -4.020 1.00 0.00 N ATOM 765 CA SER A 46 -12.209 -4.158 -5.422 1.00 0.00 C ATOM 766 C SER A 46 -13.545 -4.880 -5.571 1.00 0.00 C ATOM 767 O SER A 46 -13.812 -5.408 -6.671 1.00 0.00 O ATOM 768 CB SER A 46 -11.090 -5.003 -6.031 1.00 0.00 C ATOM 769 OG SER A 46 -9.863 -4.294 -6.045 1.00 0.00 O ATOM 770 OXT SER A 46 -14.313 -4.911 -4.587 1.00 0.00 O ATOM 0 H SER A 46 -12.142 -4.643 -3.383 1.00 0.00 H new ATOM 0 HA SER A 46 -12.267 -3.208 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.974 -5.924 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.359 -5.290 -7.048 1.00 0.00 H new ATOM 0 HG SER A 46 -9.164 -4.858 -6.438 1.00 0.00 H new TER 776 SER A 46