USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 LYS NZ :NH3+ -135:sc= -0.529 (180deg=-2.4!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00826) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -155:sc= -1.65 (180deg=-2.22) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.333 K(o=-0.33,f=-1.4) USER MOD Single : A 11 ASN : amide:sc= -3.02! K(o=-3!,f=-1.8) USER MOD Single : A 15 GLN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.15 (180deg=-0.791) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 24 SER OG : rot -134:sc= 0.555 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.549 (180deg=-1.05) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.125 K(o=-0.13,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.1!) USER MOD Single : A 48 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 54 THR OG1 : rot 27:sc= 1.12 USER MOD Single : A 57 GLN : amide:sc= -0.0889 K(o=-0.089,f=-0.9) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= 0.071 (180deg=-0.208) USER MOD Single : A 71 TYR OH : rot 81:sc= -3.47! USER MOD Single : A 72 ASN : amide:sc= -1.57! C(o=-1.6!,f=-2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= -6.46! (180deg=-6.64!) USER MOD Single : A 89 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.420 -11.921 -9.688 1.00 0.00 N ATOM 2 CA MET A 1 -10.964 -11.480 -8.380 1.00 0.00 C ATOM 3 C MET A 1 -12.135 -11.358 -7.403 1.00 0.00 C ATOM 4 O MET A 1 -13.144 -10.728 -7.712 1.00 0.00 O ATOM 5 CB MET A 1 -10.267 -10.124 -8.514 1.00 0.00 C ATOM 6 CG MET A 1 -9.004 -10.069 -7.653 1.00 0.00 C ATOM 7 SD MET A 1 -7.826 -11.287 -8.218 1.00 0.00 S ATOM 8 CE MET A 1 -6.909 -10.308 -9.396 1.00 0.00 C ATOM 0 H1 MET A 1 -10.607 -11.996 -10.332 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.879 -12.850 -9.601 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.101 -11.233 -10.068 1.00 0.00 H new ATOM 0 HA MET A 1 -10.266 -12.221 -7.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.008 -9.946 -9.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.950 -9.329 -8.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.563 -9.074 -7.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.257 -10.253 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.105 -10.909 -9.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.576 -9.979 -10.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.486 -9.438 -8.895 1.00 0.00 H new ATOM 18 N ASP A 2 -11.960 -11.973 -6.242 1.00 0.00 N ATOM 19 CA ASP A 2 -12.989 -11.942 -5.217 1.00 0.00 C ATOM 20 C ASP A 2 -12.342 -11.664 -3.858 1.00 0.00 C ATOM 21 O ASP A 2 -11.392 -12.343 -3.469 1.00 0.00 O ATOM 22 CB ASP A 2 -13.718 -13.284 -5.127 1.00 0.00 C ATOM 23 CG ASP A 2 -12.837 -14.515 -5.351 1.00 0.00 C ATOM 24 OD1 ASP A 2 -11.833 -14.457 -6.075 1.00 0.00 O ATOM 25 OD2 ASP A 2 -13.225 -15.582 -4.737 1.00 0.00 O ATOM 0 H ASP A 2 -11.121 -12.495 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.702 -11.161 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.183 -13.363 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.523 -13.293 -5.862 1.00 0.00 H new ATOM 31 N ILE A 3 -12.882 -10.666 -3.174 1.00 0.00 N ATOM 32 CA ILE A 3 -12.369 -10.291 -1.867 1.00 0.00 C ATOM 33 C ILE A 3 -13.443 -10.549 -0.809 1.00 0.00 C ATOM 34 O ILE A 3 -14.632 -10.378 -1.073 1.00 0.00 O ATOM 35 CB ILE A 3 -11.857 -8.849 -1.887 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.348 -8.806 -2.136 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.248 -8.113 -0.604 1.00 0.00 C ATOM 38 CD1 ILE A 3 -9.904 -7.406 -2.565 1.00 0.00 C ATOM 0 H ILE A 3 -13.669 -10.106 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.509 -10.906 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.334 -8.327 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.818 -9.098 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.082 -9.528 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.873 -7.090 -0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.334 -8.098 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.816 -8.626 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.827 -7.402 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.418 -7.127 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.150 -6.690 -1.781 1.00 0.00 H new ATOM 50 N SER A 4 -12.986 -10.956 0.366 1.00 0.00 N ATOM 51 CA SER A 4 -13.893 -11.239 1.465 1.00 0.00 C ATOM 52 C SER A 4 -13.571 -10.333 2.655 1.00 0.00 C ATOM 53 O SER A 4 -12.434 -10.299 3.125 1.00 0.00 O ATOM 54 CB SER A 4 -13.814 -12.709 1.880 1.00 0.00 C ATOM 55 OG SER A 4 -15.097 -13.327 1.904 1.00 0.00 O ATOM 0 H SER A 4 -11.999 -11.097 0.581 1.00 0.00 H new ATOM 0 HA SER A 4 -14.911 -11.039 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.166 -13.247 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.358 -12.783 2.867 1.00 0.00 H new ATOM 0 HG SER A 4 -15.003 -14.265 2.172 1.00 0.00 H new ATOM 61 N ILE A 5 -14.592 -9.622 3.110 1.00 0.00 N ATOM 62 CA ILE A 5 -14.432 -8.718 4.237 1.00 0.00 C ATOM 63 C ILE A 5 -14.523 -9.514 5.540 1.00 0.00 C ATOM 64 O ILE A 5 -15.418 -10.343 5.704 1.00 0.00 O ATOM 65 CB ILE A 5 -15.436 -7.567 4.148 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.316 -6.838 2.808 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.282 -6.613 5.334 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.031 -6.011 2.746 1.00 0.00 C ATOM 0 H ILE A 5 -15.533 -9.653 2.719 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.447 -8.253 4.215 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.441 -7.985 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.326 -7.563 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.179 -6.187 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.007 -5.804 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.455 -7.156 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.274 -6.198 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.971 -5.504 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.035 -5.271 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.169 -6.668 2.864 1.00 0.00 H new ATOM 80 N ILE A 6 -13.586 -9.235 6.434 1.00 0.00 N ATOM 81 CA ILE A 6 -13.549 -9.915 7.718 1.00 0.00 C ATOM 82 C ILE A 6 -14.206 -9.028 8.779 1.00 0.00 C ATOM 83 O ILE A 6 -15.173 -9.435 9.421 1.00 0.00 O ATOM 84 CB ILE A 6 -12.118 -10.330 8.064 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.504 -11.167 6.941 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.068 -11.054 9.411 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.136 -12.559 6.885 1.00 0.00 C ATOM 0 H ILE A 6 -12.846 -8.547 6.295 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.123 -10.841 7.675 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.514 -9.428 8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.646 -10.661 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.429 -11.258 7.097 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.039 -11.338 9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.439 -10.392 10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.690 -11.948 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.681 -13.133 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.971 -13.072 7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.207 -12.465 6.705 1.00 0.00 H new ATOM 99 N SER A 7 -13.655 -7.834 8.929 1.00 0.00 N ATOM 100 CA SER A 7 -14.174 -6.886 9.900 1.00 0.00 C ATOM 101 C SER A 7 -14.186 -5.477 9.302 1.00 0.00 C ATOM 102 O SER A 7 -13.522 -5.218 8.301 1.00 0.00 O ATOM 103 CB SER A 7 -13.349 -6.909 11.188 1.00 0.00 C ATOM 104 OG SER A 7 -11.985 -7.237 10.942 1.00 0.00 O ATOM 0 H SER A 7 -12.853 -7.500 8.394 1.00 0.00 H new ATOM 0 HA SER A 7 -15.195 -7.177 10.149 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.406 -5.934 11.672 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.777 -7.634 11.880 1.00 0.00 H new ATOM 0 HG SER A 7 -11.491 -7.240 11.789 1.00 0.00 H new ATOM 110 N ASP A 8 -14.950 -4.605 9.943 1.00 0.00 N ATOM 111 CA ASP A 8 -15.057 -3.229 9.488 1.00 0.00 C ATOM 112 C ASP A 8 -14.925 -2.287 10.686 1.00 0.00 C ATOM 113 O ASP A 8 -15.879 -2.095 11.437 1.00 0.00 O ATOM 114 CB ASP A 8 -16.415 -2.970 8.831 1.00 0.00 C ATOM 115 CG ASP A 8 -17.626 -3.197 9.738 1.00 0.00 C ATOM 116 OD1 ASP A 8 -18.097 -2.274 10.418 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.094 -4.399 9.730 1.00 0.00 O ATOM 0 H ASP A 8 -15.501 -4.824 10.773 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.264 -3.053 8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.437 -1.941 8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.508 -3.615 7.958 1.00 0.00 H new ATOM 123 N ARG A 9 -13.734 -1.725 10.827 1.00 0.00 N ATOM 124 CA ARG A 9 -13.464 -0.808 11.922 1.00 0.00 C ATOM 125 C ARG A 9 -13.304 0.619 11.392 1.00 0.00 C ATOM 126 O ARG A 9 -13.029 0.819 10.210 1.00 0.00 O ATOM 127 CB ARG A 9 -12.194 -1.209 12.676 1.00 0.00 C ATOM 128 CG ARG A 9 -12.537 -1.946 13.972 1.00 0.00 C ATOM 129 CD ARG A 9 -12.092 -1.141 15.195 1.00 0.00 C ATOM 130 NE ARG A 9 -11.677 -2.057 16.281 1.00 0.00 N ATOM 131 CZ ARG A 9 -10.880 -1.698 17.309 1.00 0.00 C ATOM 132 NH1 ARG A 9 -10.405 -0.438 17.402 1.00 0.00 N ATOM 133 NH2 ARG A 9 -10.572 -2.599 18.224 1.00 0.00 N ATOM 0 H ARG A 9 -12.945 -1.887 10.201 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.310 -0.853 12.608 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.577 -1.847 12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.606 -0.320 12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.611 -2.123 14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.052 -2.922 13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.265 -0.484 14.927 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.907 -0.504 15.537 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.014 -3.019 16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.648 0.252 16.691 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.803 -0.176 18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.935 -3.549 18.147 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.971 -2.345 19.008 1.00 0.00 H new ATOM 146 N ASN A 10 -13.485 1.574 12.292 1.00 0.00 N ATOM 147 CA ASN A 10 -13.364 2.976 11.931 1.00 0.00 C ATOM 148 C ASN A 10 -12.519 3.698 12.981 1.00 0.00 C ATOM 149 O ASN A 10 -12.745 3.542 14.180 1.00 0.00 O ATOM 150 CB ASN A 10 -14.737 3.652 11.882 1.00 0.00 C ATOM 151 CG ASN A 10 -14.599 5.175 11.920 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.718 5.761 11.311 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.516 5.783 12.666 1.00 0.00 N ATOM 0 H ASN A 10 -13.715 1.404 13.271 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.898 3.032 10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.261 3.353 10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.342 3.317 12.725 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.509 6.799 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.226 5.233 13.150 1.00 0.00 H new ATOM 160 N ASN A 11 -11.562 4.475 12.493 1.00 0.00 N ATOM 161 CA ASN A 11 -10.682 5.222 13.375 1.00 0.00 C ATOM 162 C ASN A 11 -10.750 6.708 13.017 1.00 0.00 C ATOM 163 O ASN A 11 -9.999 7.179 12.164 1.00 0.00 O ATOM 164 CB ASN A 11 -9.230 4.764 13.220 1.00 0.00 C ATOM 165 CG ASN A 11 -8.941 3.549 14.104 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.102 3.578 14.989 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.681 2.482 13.816 1.00 0.00 N ATOM 0 H ASN A 11 -11.377 4.603 11.498 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.007 5.050 14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.033 4.515 12.177 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.557 5.580 13.485 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.563 1.621 14.350 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.366 2.525 13.062 1.00 0.00 H new ATOM 174 N PRO A 12 -11.680 7.422 13.703 1.00 0.00 N ATOM 175 CA PRO A 12 -11.857 8.846 13.466 1.00 0.00 C ATOM 176 C PRO A 12 -10.720 9.651 14.100 1.00 0.00 C ATOM 177 O PRO A 12 -10.279 10.654 13.540 1.00 0.00 O ATOM 178 CB PRO A 12 -13.219 9.176 14.054 1.00 0.00 C ATOM 179 CG PRO A 12 -13.551 8.037 15.005 1.00 0.00 C ATOM 180 CD PRO A 12 -12.587 6.897 14.720 1.00 0.00 C ATOM 0 HA PRO A 12 -11.822 9.105 12.408 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.196 10.130 14.581 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.972 9.262 13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.459 8.365 16.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.581 7.710 14.864 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.046 6.602 15.619 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.114 6.013 14.362 1.00 0.00 H new ATOM 188 N LEU A 13 -10.279 9.182 15.258 1.00 0.00 N ATOM 189 CA LEU A 13 -9.203 9.846 15.974 1.00 0.00 C ATOM 190 C LEU A 13 -8.111 10.250 14.982 1.00 0.00 C ATOM 191 O LEU A 13 -7.841 11.436 14.797 1.00 0.00 O ATOM 192 CB LEU A 13 -8.698 8.967 17.119 1.00 0.00 C ATOM 193 CG LEU A 13 -9.694 8.707 18.253 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.311 7.313 18.129 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.038 8.924 19.618 1.00 0.00 C ATOM 0 H LEU A 13 -10.647 8.350 15.718 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.565 10.761 16.442 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.390 8.007 16.705 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.808 9.432 17.543 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.507 9.428 18.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.015 7.153 18.946 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.835 7.231 17.177 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.523 6.561 18.176 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.766 8.733 20.406 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.195 8.242 19.729 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.684 9.952 19.692 1.00 0.00 H new ATOM 207 N LEU A 14 -7.510 9.241 14.368 1.00 0.00 N ATOM 208 CA LEU A 14 -6.453 9.476 13.399 1.00 0.00 C ATOM 209 C LEU A 14 -7.061 9.566 11.998 1.00 0.00 C ATOM 210 O LEU A 14 -6.386 9.298 11.006 1.00 0.00 O ATOM 211 CB LEU A 14 -5.361 8.412 13.528 1.00 0.00 C ATOM 212 CG LEU A 14 -4.752 8.241 14.922 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.205 6.824 15.110 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.688 9.307 15.189 1.00 0.00 C ATOM 0 H LEU A 14 -7.735 8.258 14.523 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.962 10.429 13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.776 7.454 13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.560 8.656 12.831 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.541 8.382 15.661 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.778 6.728 16.108 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.014 6.103 14.991 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.433 6.630 14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.271 9.163 16.186 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.894 9.222 14.448 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.140 10.297 15.124 1.00 0.00 H new ATOM 226 N GLN A 15 -8.331 9.946 11.962 1.00 0.00 N ATOM 227 CA GLN A 15 -9.037 10.075 10.700 1.00 0.00 C ATOM 228 C GLN A 15 -8.626 8.953 9.744 1.00 0.00 C ATOM 229 O GLN A 15 -8.573 9.153 8.532 1.00 0.00 O ATOM 230 CB GLN A 15 -8.791 11.448 10.071 1.00 0.00 C ATOM 231 CG GLN A 15 -10.027 12.340 10.204 1.00 0.00 C ATOM 232 CD GLN A 15 -9.627 13.794 10.468 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.867 14.686 9.670 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.006 13.982 11.629 1.00 0.00 N ATOM 0 H GLN A 15 -8.888 10.168 12.787 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.106 9.987 10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.939 11.926 10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.535 11.329 9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.622 12.282 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.655 11.978 11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.837 13.191 12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.699 14.917 11.898 1.00 0.00 H new ATOM 243 N ARG A 16 -8.344 7.796 10.326 1.00 0.00 N ATOM 244 CA ARG A 16 -7.939 6.643 9.541 1.00 0.00 C ATOM 245 C ARG A 16 -9.068 5.610 9.495 1.00 0.00 C ATOM 246 O ARG A 16 -10.047 5.722 10.230 1.00 0.00 O ATOM 247 CB ARG A 16 -6.685 5.991 10.126 1.00 0.00 C ATOM 248 CG ARG A 16 -5.467 6.902 9.962 1.00 0.00 C ATOM 249 CD ARG A 16 -4.285 6.133 9.366 1.00 0.00 C ATOM 250 NE ARG A 16 -3.893 5.027 10.269 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.161 5.189 11.391 1.00 0.00 C ATOM 252 NH1 ARG A 16 -2.732 6.415 11.759 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.869 4.130 12.123 1.00 0.00 N ATOM 0 H ARG A 16 -8.388 7.633 11.332 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.717 6.990 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.842 5.775 11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.501 5.038 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.721 7.743 9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.185 7.317 10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.555 5.736 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.441 6.806 9.215 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.195 4.083 10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.961 7.228 11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.179 6.528 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.196 3.207 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.317 4.235 12.974 1.00 0.00 H new ATOM 266 N ARG A 17 -8.893 4.628 8.622 1.00 0.00 N ATOM 267 CA ARG A 17 -9.883 3.578 8.469 1.00 0.00 C ATOM 268 C ARG A 17 -9.226 2.203 8.610 1.00 0.00 C ATOM 269 O ARG A 17 -8.287 1.883 7.883 1.00 0.00 O ATOM 270 CB ARG A 17 -10.576 3.667 7.107 1.00 0.00 C ATOM 271 CG ARG A 17 -12.080 3.420 7.239 1.00 0.00 C ATOM 272 CD ARG A 17 -12.879 4.626 6.740 1.00 0.00 C ATOM 273 NE ARG A 17 -13.624 4.266 5.513 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.688 4.953 5.045 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.142 6.042 5.699 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.278 4.542 3.938 1.00 0.00 N ATOM 0 H ARG A 17 -8.079 4.539 8.014 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.629 3.710 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.402 4.651 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.142 2.935 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.358 2.534 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.329 3.220 8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.573 4.958 7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.206 5.459 6.536 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.314 3.448 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.681 6.352 6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.946 6.555 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.929 3.717 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.083 5.049 3.571 1.00 0.00 H new ATOM 289 N GLU A 18 -9.745 1.427 9.550 1.00 0.00 N ATOM 290 CA GLU A 18 -9.219 0.095 9.796 1.00 0.00 C ATOM 291 C GLU A 18 -10.159 -0.961 9.213 1.00 0.00 C ATOM 292 O GLU A 18 -11.137 -1.349 9.850 1.00 0.00 O ATOM 293 CB GLU A 18 -8.994 -0.138 11.292 1.00 0.00 C ATOM 294 CG GLU A 18 -8.027 0.898 11.869 1.00 0.00 C ATOM 295 CD GLU A 18 -7.703 0.590 13.331 1.00 0.00 C ATOM 296 OE1 GLU A 18 -8.592 0.172 14.089 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.477 0.800 13.674 1.00 0.00 O ATOM 0 H GLU A 18 -10.525 1.695 10.151 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.253 0.009 9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.947 -0.085 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.597 -1.140 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.108 0.909 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.466 1.893 11.792 1.00 0.00 H new ATOM 305 N ILE A 19 -9.829 -1.397 8.005 1.00 0.00 N ATOM 306 CA ILE A 19 -10.632 -2.402 7.328 1.00 0.00 C ATOM 307 C ILE A 19 -9.743 -3.589 6.950 1.00 0.00 C ATOM 308 O ILE A 19 -8.718 -3.417 6.292 1.00 0.00 O ATOM 309 CB ILE A 19 -11.371 -1.785 6.138 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.250 -0.616 6.586 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.170 -2.846 5.380 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.324 -0.306 5.542 1.00 0.00 C ATOM 0 H ILE A 19 -9.018 -1.073 7.479 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.407 -2.782 7.994 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.631 -1.384 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.722 -0.856 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.632 0.267 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.686 -2.382 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.493 -3.616 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.902 -3.298 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.935 0.529 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.848 -0.043 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.956 -1.183 5.398 1.00 0.00 H new ATOM 324 N LYS A 20 -10.167 -4.767 7.384 1.00 0.00 N ATOM 325 CA LYS A 20 -9.423 -5.981 7.099 1.00 0.00 C ATOM 326 C LYS A 20 -10.287 -6.919 6.254 1.00 0.00 C ATOM 327 O LYS A 20 -11.485 -7.053 6.499 1.00 0.00 O ATOM 328 CB LYS A 20 -8.915 -6.615 8.396 1.00 0.00 C ATOM 329 CG LYS A 20 -7.552 -7.278 8.187 1.00 0.00 C ATOM 330 CD LYS A 20 -7.710 -8.693 7.631 1.00 0.00 C ATOM 331 CE LYS A 20 -8.566 -9.556 8.562 1.00 0.00 C ATOM 332 NZ LYS A 20 -7.863 -10.817 8.889 1.00 0.00 N ATOM 0 H LYS A 20 -11.017 -4.906 7.931 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.533 -5.753 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.837 -5.853 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.633 -7.356 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.954 -6.679 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.012 -7.314 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.170 -8.650 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.728 -9.150 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.786 -9.007 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.521 -9.778 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.258 -11.218 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.986 -11.495 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.850 -10.625 9.024 1.00 0.00 H new ATOM 345 N PHE A 21 -9.646 -7.542 5.276 1.00 0.00 N ATOM 346 CA PHE A 21 -10.342 -8.462 4.393 1.00 0.00 C ATOM 347 C PHE A 21 -9.358 -9.406 3.697 1.00 0.00 C ATOM 348 O PHE A 21 -8.150 -9.320 3.917 1.00 0.00 O ATOM 349 CB PHE A 21 -11.053 -7.617 3.335 1.00 0.00 C ATOM 350 CG PHE A 21 -10.148 -6.596 2.643 1.00 0.00 C ATOM 351 CD1 PHE A 21 -10.391 -5.265 2.785 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.101 -7.019 1.885 1.00 0.00 C ATOM 353 CE1 PHE A 21 -9.552 -4.318 2.143 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.261 -6.071 1.243 1.00 0.00 C ATOM 355 CZ PHE A 21 -8.504 -4.741 1.385 1.00 0.00 C ATOM 0 H PHE A 21 -8.652 -7.428 5.076 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.042 -9.069 4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.479 -8.280 2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.885 -7.091 3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.223 -4.929 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.908 -8.076 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.745 -3.261 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.429 -6.407 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.865 -4.020 0.896 1.00 0.00 H new ATOM 365 N THR A 22 -9.910 -10.282 2.873 1.00 0.00 N ATOM 366 CA THR A 22 -9.096 -11.240 2.144 1.00 0.00 C ATOM 367 C THR A 22 -9.372 -11.142 0.642 1.00 0.00 C ATOM 368 O THR A 22 -10.432 -10.670 0.232 1.00 0.00 O ATOM 369 CB THR A 22 -9.368 -12.630 2.722 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.335 -12.815 3.685 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.131 -13.745 1.702 1.00 0.00 C ATOM 0 H THR A 22 -10.912 -10.349 2.693 1.00 0.00 H new ATOM 0 HA THR A 22 -8.034 -11.026 2.262 1.00 0.00 H new ATOM 0 HB THR A 22 -10.396 -12.678 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.437 -13.692 4.110 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.338 -14.710 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.792 -13.602 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.094 -13.718 1.368 1.00 0.00 H new ATOM 379 N VAL A 23 -8.401 -11.595 -0.137 1.00 0.00 N ATOM 380 CA VAL A 23 -8.527 -11.564 -1.584 1.00 0.00 C ATOM 381 C VAL A 23 -8.265 -12.963 -2.145 1.00 0.00 C ATOM 382 O VAL A 23 -7.212 -13.547 -1.899 1.00 0.00 O ATOM 383 CB VAL A 23 -7.593 -10.502 -2.168 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.200 -10.594 -1.542 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.519 -10.616 -3.692 1.00 0.00 C ATOM 0 H VAL A 23 -7.524 -11.986 0.207 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.540 -11.282 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.005 -9.522 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.556 -9.828 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.274 -10.440 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.777 -11.579 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.849 -9.850 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.142 -11.601 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.514 -10.478 -4.116 1.00 0.00 H new ATOM 395 N SER A 24 -9.243 -13.461 -2.887 1.00 0.00 N ATOM 396 CA SER A 24 -9.133 -14.781 -3.485 1.00 0.00 C ATOM 397 C SER A 24 -8.869 -14.655 -4.987 1.00 0.00 C ATOM 398 O SER A 24 -9.472 -13.819 -5.658 1.00 0.00 O ATOM 399 CB SER A 24 -10.396 -15.607 -3.235 1.00 0.00 C ATOM 400 OG SER A 24 -10.591 -16.600 -4.238 1.00 0.00 O ATOM 0 H SER A 24 -10.116 -12.974 -3.088 1.00 0.00 H new ATOM 0 HA SER A 24 -8.295 -15.299 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.328 -16.086 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.262 -14.946 -3.206 1.00 0.00 H new ATOM 0 HG SER A 24 -11.528 -16.594 -4.526 1.00 0.00 H new ATOM 406 N PHE A 25 -7.968 -15.498 -5.470 1.00 0.00 N ATOM 407 CA PHE A 25 -7.618 -15.492 -6.880 1.00 0.00 C ATOM 408 C PHE A 25 -6.734 -16.689 -7.231 1.00 0.00 C ATOM 409 O PHE A 25 -5.918 -17.122 -6.419 1.00 0.00 O ATOM 410 CB PHE A 25 -6.837 -14.202 -7.141 1.00 0.00 C ATOM 411 CG PHE A 25 -5.378 -14.255 -6.684 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.433 -14.808 -7.490 1.00 0.00 C ATOM 413 CD2 PHE A 25 -5.026 -13.750 -5.471 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.078 -14.857 -7.065 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.672 -13.799 -5.046 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.727 -14.352 -5.852 1.00 0.00 C ATOM 0 H PHE A 25 -7.470 -16.190 -4.910 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.521 -15.551 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.865 -13.982 -8.208 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.337 -13.378 -6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.712 -15.210 -8.453 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.777 -13.311 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.327 -15.295 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.393 -13.397 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.697 -14.390 -5.529 1.00 0.00 H new ATOM 426 N ASP A 26 -6.925 -17.192 -8.442 1.00 0.00 N ATOM 427 CA ASP A 26 -6.156 -18.331 -8.910 1.00 0.00 C ATOM 428 C ASP A 26 -5.551 -18.006 -10.277 1.00 0.00 C ATOM 429 O ASP A 26 -6.232 -18.095 -11.298 1.00 0.00 O ATOM 430 CB ASP A 26 -7.042 -19.568 -9.067 1.00 0.00 C ATOM 431 CG ASP A 26 -8.359 -19.330 -9.810 1.00 0.00 C ATOM 432 OD1 ASP A 26 -9.229 -18.582 -9.343 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.474 -19.959 -10.930 1.00 0.00 O ATOM 0 H ASP A 26 -7.602 -16.830 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.378 -18.536 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.478 -20.336 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.267 -19.963 -8.076 1.00 0.00 H new ATOM 439 N ALA A 27 -4.280 -17.634 -10.253 1.00 0.00 N ATOM 440 CA ALA A 27 -3.576 -17.295 -11.479 1.00 0.00 C ATOM 441 C ALA A 27 -2.216 -16.688 -11.130 1.00 0.00 C ATOM 442 O ALA A 27 -1.237 -17.412 -10.949 1.00 0.00 O ATOM 443 CB ALA A 27 -4.438 -16.349 -12.318 1.00 0.00 C ATOM 0 H ALA A 27 -3.719 -17.560 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.395 -18.188 -12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.910 -16.095 -13.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.381 -16.838 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.638 -15.440 -11.751 1.00 0.00 H new ATOM 449 N ALA A 28 -2.198 -15.366 -11.045 1.00 0.00 N ATOM 450 CA ALA A 28 -0.973 -14.654 -10.720 1.00 0.00 C ATOM 451 C ALA A 28 -1.259 -13.631 -9.619 1.00 0.00 C ATOM 452 O ALA A 28 -2.400 -13.206 -9.443 1.00 0.00 O ATOM 453 CB ALA A 28 -0.409 -14.006 -11.986 1.00 0.00 C ATOM 0 H ALA A 28 -3.011 -14.769 -11.195 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.218 -15.342 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.510 -13.472 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.195 -14.778 -12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.139 -13.306 -12.393 1.00 0.00 H new ATOM 459 N THR A 29 -0.205 -13.265 -8.907 1.00 0.00 N ATOM 460 CA THR A 29 -0.329 -12.301 -7.827 1.00 0.00 C ATOM 461 C THR A 29 -0.363 -10.877 -8.387 1.00 0.00 C ATOM 462 O THR A 29 0.554 -10.461 -9.093 1.00 0.00 O ATOM 463 CB THR A 29 0.819 -12.539 -6.844 1.00 0.00 C ATOM 464 OG1 THR A 29 0.334 -13.571 -5.989 1.00 0.00 O ATOM 465 CG2 THR A 29 1.043 -11.352 -5.905 1.00 0.00 C ATOM 0 H THR A 29 0.740 -13.619 -9.056 1.00 0.00 H new ATOM 0 HA THR A 29 -1.268 -12.430 -7.288 1.00 0.00 H new ATOM 0 HB THR A 29 1.736 -12.740 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.016 -13.790 -5.321 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.869 -11.574 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.282 -10.465 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.138 -11.171 -5.325 1.00 0.00 H new ATOM 473 N PRO A 30 -1.460 -10.149 -8.041 1.00 0.00 N ATOM 474 CA PRO A 30 -1.625 -8.781 -8.501 1.00 0.00 C ATOM 475 C PRO A 30 -0.708 -7.829 -7.730 1.00 0.00 C ATOM 476 O PRO A 30 0.256 -8.263 -7.102 1.00 0.00 O ATOM 477 CB PRO A 30 -3.101 -8.476 -8.301 1.00 0.00 C ATOM 478 CG PRO A 30 -3.612 -9.511 -7.312 1.00 0.00 C ATOM 479 CD PRO A 30 -2.565 -10.609 -7.206 1.00 0.00 C ATOM 0 HA PRO A 30 -1.342 -8.650 -9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.242 -7.466 -7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.643 -8.537 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.787 -9.055 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.564 -9.922 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.247 -10.755 -6.174 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.956 -11.564 -7.557 1.00 0.00 H new ATOM 487 N SER A 31 -1.041 -6.548 -7.806 1.00 0.00 N ATOM 488 CA SER A 31 -0.259 -5.531 -7.123 1.00 0.00 C ATOM 489 C SER A 31 -1.128 -4.806 -6.093 1.00 0.00 C ATOM 490 O SER A 31 -2.251 -5.226 -5.818 1.00 0.00 O ATOM 491 CB SER A 31 0.331 -4.530 -8.118 1.00 0.00 C ATOM 492 OG SER A 31 0.731 -5.158 -9.333 1.00 0.00 O ATOM 0 H SER A 31 -1.841 -6.192 -8.329 1.00 0.00 H new ATOM 0 HA SER A 31 0.567 -6.023 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.406 -3.757 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.190 -4.033 -7.667 1.00 0.00 H new ATOM 0 HG SER A 31 1.101 -4.486 -9.943 1.00 0.00 H new ATOM 498 N ILE A 32 -0.576 -3.731 -5.552 1.00 0.00 N ATOM 499 CA ILE A 32 -1.287 -2.943 -4.559 1.00 0.00 C ATOM 500 C ILE A 32 -2.415 -2.168 -5.241 1.00 0.00 C ATOM 501 O ILE A 32 -3.580 -2.307 -4.871 1.00 0.00 O ATOM 502 CB ILE A 32 -0.312 -2.055 -3.783 1.00 0.00 C ATOM 503 CG1 ILE A 32 1.016 -2.774 -3.546 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.940 -1.565 -2.476 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.802 -2.116 -2.410 1.00 0.00 C ATOM 0 H ILE A 32 0.356 -3.386 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.751 -3.593 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.097 -1.174 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.829 -3.820 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.610 -2.759 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.227 -0.936 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.838 -0.988 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.203 -2.421 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.742 -2.647 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.009 -1.077 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.216 -2.155 -1.492 1.00 0.00 H new ATOM 517 N LYS A 33 -2.030 -1.370 -6.226 1.00 0.00 N ATOM 518 CA LYS A 33 -2.996 -0.573 -6.964 1.00 0.00 C ATOM 519 C LYS A 33 -4.090 -1.489 -7.518 1.00 0.00 C ATOM 520 O LYS A 33 -5.277 -1.233 -7.322 1.00 0.00 O ATOM 521 CB LYS A 33 -2.294 0.264 -8.035 1.00 0.00 C ATOM 522 CG LYS A 33 -2.226 1.736 -7.624 1.00 0.00 C ATOM 523 CD LYS A 33 -0.941 2.029 -6.845 1.00 0.00 C ATOM 524 CE LYS A 33 0.255 2.156 -7.790 1.00 0.00 C ATOM 525 NZ LYS A 33 0.947 3.448 -7.581 1.00 0.00 N ATOM 0 H LYS A 33 -1.063 -1.258 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.484 0.143 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.286 -0.119 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.827 0.171 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.270 2.367 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.092 1.987 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.059 2.951 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.758 1.231 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.949 1.333 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.081 2.080 -8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.897 3.405 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.402 4.211 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.029 3.637 -6.562 1.00 0.00 H new ATOM 538 N ASP A 34 -3.650 -2.536 -8.200 1.00 0.00 N ATOM 539 CA ASP A 34 -4.577 -3.492 -8.783 1.00 0.00 C ATOM 540 C ASP A 34 -5.537 -3.992 -7.702 1.00 0.00 C ATOM 541 O ASP A 34 -6.707 -4.250 -7.976 1.00 0.00 O ATOM 542 CB ASP A 34 -3.835 -4.701 -9.353 1.00 0.00 C ATOM 543 CG ASP A 34 -4.308 -5.160 -10.734 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.746 -4.763 -11.766 1.00 0.00 O ATOM 545 OD2 ASP A 34 -5.313 -5.969 -10.725 1.00 0.00 O ATOM 0 H ASP A 34 -2.665 -2.744 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.118 -2.990 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.773 -4.462 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.937 -5.533 -8.656 1.00 0.00 H new ATOM 551 N VAL A 35 -5.004 -4.113 -6.495 1.00 0.00 N ATOM 552 CA VAL A 35 -5.799 -4.577 -5.370 1.00 0.00 C ATOM 553 C VAL A 35 -6.673 -3.430 -4.860 1.00 0.00 C ATOM 554 O VAL A 35 -7.814 -3.646 -4.454 1.00 0.00 O ATOM 555 CB VAL A 35 -4.886 -5.159 -4.289 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.540 -5.062 -2.909 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.503 -6.604 -4.614 1.00 0.00 C ATOM 0 H VAL A 35 -4.032 -3.898 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.467 -5.381 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.971 -4.567 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.870 -5.483 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.738 -4.017 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.478 -5.618 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.854 -6.994 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.404 -7.214 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.978 -6.635 -5.569 1.00 0.00 H new ATOM 567 N LYS A 36 -6.105 -2.233 -4.898 1.00 0.00 N ATOM 568 CA LYS A 36 -6.819 -1.051 -4.444 1.00 0.00 C ATOM 569 C LYS A 36 -7.897 -0.689 -5.467 1.00 0.00 C ATOM 570 O LYS A 36 -8.857 0.009 -5.141 1.00 0.00 O ATOM 571 CB LYS A 36 -5.838 0.088 -4.154 1.00 0.00 C ATOM 572 CG LYS A 36 -6.360 1.415 -4.710 1.00 0.00 C ATOM 573 CD LYS A 36 -6.074 1.532 -6.208 1.00 0.00 C ATOM 574 CE LYS A 36 -6.939 2.619 -6.849 1.00 0.00 C ATOM 575 NZ LYS A 36 -6.109 3.785 -7.225 1.00 0.00 N ATOM 0 H LYS A 36 -5.159 -2.056 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.328 -1.251 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.684 0.175 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.869 -0.140 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.433 1.490 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.891 2.245 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.020 1.762 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.266 0.576 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.439 2.221 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.719 2.929 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.588 4.661 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.185 3.721 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.969 3.794 -8.256 1.00 0.00 H new ATOM 588 N MET A 37 -7.704 -1.179 -6.683 1.00 0.00 N ATOM 589 CA MET A 37 -8.649 -0.916 -7.755 1.00 0.00 C ATOM 590 C MET A 37 -10.021 -1.514 -7.437 1.00 0.00 C ATOM 591 O MET A 37 -10.999 -0.785 -7.280 1.00 0.00 O ATOM 592 CB MET A 37 -8.121 -1.514 -9.060 1.00 0.00 C ATOM 593 CG MET A 37 -6.990 -0.661 -9.637 1.00 0.00 C ATOM 594 SD MET A 37 -7.308 -0.311 -11.358 1.00 0.00 S ATOM 595 CE MET A 37 -5.663 -0.516 -12.024 1.00 0.00 C ATOM 0 H MET A 37 -6.907 -1.757 -6.950 1.00 0.00 H new ATOM 0 HA MET A 37 -8.760 0.163 -7.859 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.762 -2.527 -8.880 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.932 -1.587 -9.785 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.904 0.271 -9.078 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.039 -1.184 -9.533 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.680 -0.332 -13.098 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.986 0.192 -11.546 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.318 -1.533 -11.835 1.00 0.00 H new ATOM 605 N LYS A 38 -10.048 -2.836 -7.349 1.00 0.00 N ATOM 606 CA LYS A 38 -11.285 -3.540 -7.052 1.00 0.00 C ATOM 607 C LYS A 38 -11.749 -3.173 -5.642 1.00 0.00 C ATOM 608 O LYS A 38 -12.948 -3.113 -5.375 1.00 0.00 O ATOM 609 CB LYS A 38 -11.109 -5.045 -7.271 1.00 0.00 C ATOM 610 CG LYS A 38 -10.210 -5.654 -6.192 1.00 0.00 C ATOM 611 CD LYS A 38 -8.772 -5.801 -6.694 1.00 0.00 C ATOM 612 CE LYS A 38 -8.102 -7.034 -6.086 1.00 0.00 C ATOM 613 NZ LYS A 38 -7.004 -7.508 -6.956 1.00 0.00 N ATOM 0 H LYS A 38 -9.235 -3.438 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.075 -3.231 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.083 -5.535 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.676 -5.225 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.226 -5.024 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.598 -6.629 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.769 -5.880 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.201 -4.909 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.712 -6.793 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.838 -7.827 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.843 -8.522 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.260 -7.356 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.135 -6.980 -6.738 1.00 0.00 H new ATOM 626 N LEU A 39 -10.775 -2.938 -4.775 1.00 0.00 N ATOM 627 CA LEU A 39 -11.069 -2.580 -3.398 1.00 0.00 C ATOM 628 C LEU A 39 -11.913 -1.304 -3.377 1.00 0.00 C ATOM 629 O LEU A 39 -12.848 -1.187 -2.586 1.00 0.00 O ATOM 630 CB LEU A 39 -9.778 -2.475 -2.583 1.00 0.00 C ATOM 631 CG LEU A 39 -9.202 -3.796 -2.067 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.760 -3.615 -1.588 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.097 -4.398 -0.982 1.00 0.00 C ATOM 0 H LEU A 39 -9.781 -2.989 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.658 -3.362 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.022 -1.987 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.963 -1.824 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.179 -4.506 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.374 -4.568 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.143 -3.264 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.734 -2.883 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.665 -5.336 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.175 -3.702 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.089 -4.586 -1.392 1.00 0.00 H new ATOM 645 N VAL A 40 -11.554 -0.381 -4.256 1.00 0.00 N ATOM 646 CA VAL A 40 -12.266 0.882 -4.349 1.00 0.00 C ATOM 647 C VAL A 40 -13.750 0.608 -4.603 1.00 0.00 C ATOM 648 O VAL A 40 -14.614 1.236 -3.995 1.00 0.00 O ATOM 649 CB VAL A 40 -11.629 1.766 -5.423 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.627 2.801 -5.944 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.362 2.442 -4.895 1.00 0.00 C ATOM 0 H VAL A 40 -10.779 -0.482 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.192 1.431 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.344 1.126 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.149 3.416 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.488 2.291 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.957 3.435 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.929 3.065 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.612 3.063 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.641 1.681 -4.596 1.00 0.00 H new ATOM 661 N ALA A 41 -14.000 -0.331 -5.505 1.00 0.00 N ATOM 662 CA ALA A 41 -15.363 -0.697 -5.847 1.00 0.00 C ATOM 663 C ALA A 41 -15.966 -1.522 -4.710 1.00 0.00 C ATOM 664 O ALA A 41 -17.155 -1.405 -4.416 1.00 0.00 O ATOM 665 CB ALA A 41 -15.371 -1.446 -7.180 1.00 0.00 C ATOM 0 H ALA A 41 -13.280 -0.849 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.980 0.193 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.394 -1.721 -7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.961 -0.805 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.764 -2.347 -7.095 1.00 0.00 H new ATOM 671 N VAL A 42 -15.120 -2.340 -4.102 1.00 0.00 N ATOM 672 CA VAL A 42 -15.555 -3.185 -3.003 1.00 0.00 C ATOM 673 C VAL A 42 -15.967 -2.306 -1.820 1.00 0.00 C ATOM 674 O VAL A 42 -17.067 -2.448 -1.290 1.00 0.00 O ATOM 675 CB VAL A 42 -14.456 -4.188 -2.648 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.845 -5.017 -1.421 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.132 -5.092 -3.839 1.00 0.00 C ATOM 0 H VAL A 42 -14.135 -2.436 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.429 -3.769 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.556 -3.624 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.046 -5.722 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.002 -4.355 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.764 -5.565 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.348 -5.795 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.026 -5.643 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.791 -4.483 -4.676 1.00 0.00 H new ATOM 687 N LEU A 43 -15.060 -1.417 -1.442 1.00 0.00 N ATOM 688 CA LEU A 43 -15.315 -0.514 -0.332 1.00 0.00 C ATOM 689 C LEU A 43 -16.293 0.574 -0.778 1.00 0.00 C ATOM 690 O LEU A 43 -17.192 0.951 -0.029 1.00 0.00 O ATOM 691 CB LEU A 43 -14.000 0.033 0.227 1.00 0.00 C ATOM 692 CG LEU A 43 -13.026 -1.005 0.788 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.798 -0.329 1.402 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.726 -1.934 1.781 1.00 0.00 C ATOM 0 H LEU A 43 -14.148 -1.303 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.787 -1.049 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.494 0.586 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.233 0.747 1.017 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.674 -1.624 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.122 -1.089 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.284 0.255 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.112 0.329 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.011 -2.662 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.126 -1.348 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.541 -2.456 1.279 1.00 0.00 H new ATOM 706 N ASN A 44 -16.085 1.047 -1.999 1.00 0.00 N ATOM 707 CA ASN A 44 -16.938 2.084 -2.554 1.00 0.00 C ATOM 708 C ASN A 44 -16.602 3.422 -1.893 1.00 0.00 C ATOM 709 O ASN A 44 -17.500 4.167 -1.500 1.00 0.00 O ATOM 710 CB ASN A 44 -18.414 1.783 -2.292 1.00 0.00 C ATOM 711 CG ASN A 44 -19.291 2.307 -3.430 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.817 2.828 -4.426 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.596 2.140 -3.229 1.00 0.00 N ATOM 0 H ASN A 44 -15.339 0.731 -2.618 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.765 2.123 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.556 0.708 -2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.721 2.241 -1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.265 2.456 -3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.927 1.696 -2.373 1.00 0.00 H new ATOM 720 N ALA A 45 -15.308 3.688 -1.791 1.00 0.00 N ATOM 721 CA ALA A 45 -14.845 4.924 -1.184 1.00 0.00 C ATOM 722 C ALA A 45 -13.871 5.621 -2.137 1.00 0.00 C ATOM 723 O ALA A 45 -13.724 5.212 -3.288 1.00 0.00 O ATOM 724 CB ALA A 45 -14.212 4.618 0.176 1.00 0.00 C ATOM 0 H ALA A 45 -14.566 3.069 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.679 5.603 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.864 5.545 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.952 4.150 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.368 3.941 0.041 1.00 0.00 H new ATOM 730 N ASN A 46 -13.231 6.660 -1.622 1.00 0.00 N ATOM 731 CA ASN A 46 -12.275 7.418 -2.413 1.00 0.00 C ATOM 732 C ASN A 46 -11.082 6.525 -2.755 1.00 0.00 C ATOM 733 O ASN A 46 -10.725 5.636 -1.983 1.00 0.00 O ATOM 734 CB ASN A 46 -11.753 8.627 -1.635 1.00 0.00 C ATOM 735 CG ASN A 46 -11.325 9.747 -2.586 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.442 9.648 -3.795 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.821 10.814 -1.972 1.00 0.00 N ATOM 0 H ASN A 46 -13.355 6.995 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.780 7.761 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.528 8.993 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.908 8.328 -1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.504 11.615 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.751 10.831 -0.955 1.00 0.00 H new ATOM 744 N LYS A 47 -10.497 6.792 -3.913 1.00 0.00 N ATOM 745 CA LYS A 47 -9.350 6.024 -4.368 1.00 0.00 C ATOM 746 C LYS A 47 -8.101 6.906 -4.326 1.00 0.00 C ATOM 747 O LYS A 47 -6.996 6.414 -4.103 1.00 0.00 O ATOM 748 CB LYS A 47 -9.625 5.413 -5.743 1.00 0.00 C ATOM 749 CG LYS A 47 -9.791 6.502 -6.804 1.00 0.00 C ATOM 750 CD LYS A 47 -8.555 6.586 -7.701 1.00 0.00 C ATOM 751 CE LYS A 47 -8.551 5.458 -8.736 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.629 5.779 -9.848 1.00 0.00 N ATOM 0 H LYS A 47 -10.796 7.530 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.168 5.181 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.805 4.751 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.527 4.802 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.672 6.292 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.959 7.464 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.534 7.550 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.654 6.528 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.249 4.524 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.559 5.308 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.638 5.004 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.935 6.660 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.665 5.900 -9.476 1.00 0.00 H new ATOM 765 N GLN A 48 -8.319 8.194 -4.544 1.00 0.00 N ATOM 766 CA GLN A 48 -7.224 9.150 -4.534 1.00 0.00 C ATOM 767 C GLN A 48 -6.550 9.172 -3.160 1.00 0.00 C ATOM 768 O GLN A 48 -5.458 9.717 -3.009 1.00 0.00 O ATOM 769 CB GLN A 48 -7.711 10.546 -4.928 1.00 0.00 C ATOM 770 CG GLN A 48 -8.210 10.565 -6.374 1.00 0.00 C ATOM 771 CD GLN A 48 -8.135 11.975 -6.962 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.637 12.906 -6.349 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.654 12.081 -8.181 1.00 0.00 N ATOM 0 H GLN A 48 -9.237 8.598 -4.729 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.487 8.836 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.513 10.858 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.900 11.265 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.611 9.883 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.238 10.206 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.055 11.262 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.651 12.982 -8.660 1.00 0.00 H new ATOM 782 N VAL A 49 -7.231 8.574 -2.194 1.00 0.00 N ATOM 783 CA VAL A 49 -6.712 8.517 -0.837 1.00 0.00 C ATOM 784 C VAL A 49 -6.969 7.126 -0.255 1.00 0.00 C ATOM 785 O VAL A 49 -7.446 6.999 0.872 1.00 0.00 O ATOM 786 CB VAL A 49 -7.324 9.639 0.003 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.877 11.012 -0.505 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.850 9.535 0.030 1.00 0.00 C ATOM 0 H VAL A 49 -8.138 8.125 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.634 8.676 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.963 9.526 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.327 11.792 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.791 11.085 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.195 11.138 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.259 10.345 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.238 9.609 -0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.142 8.577 0.461 1.00 0.00 H new ATOM 798 N LEU A 50 -6.642 6.117 -1.049 1.00 0.00 N ATOM 799 CA LEU A 50 -6.832 4.740 -0.627 1.00 0.00 C ATOM 800 C LEU A 50 -5.597 3.920 -1.006 1.00 0.00 C ATOM 801 O LEU A 50 -5.098 4.024 -2.126 1.00 0.00 O ATOM 802 CB LEU A 50 -8.139 4.181 -1.192 1.00 0.00 C ATOM 803 CG LEU A 50 -8.442 2.718 -0.861 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.894 2.547 -0.411 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.096 1.806 -2.039 1.00 0.00 C ATOM 0 H LEU A 50 -6.246 6.226 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.932 4.684 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.962 4.794 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.119 4.291 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.809 2.419 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.083 1.498 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.073 3.151 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.563 2.870 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.321 0.772 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.685 2.096 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.035 1.899 -2.272 1.00 0.00 H new ATOM 817 N VAL A 51 -5.139 3.123 -0.053 1.00 0.00 N ATOM 818 CA VAL A 51 -3.972 2.285 -0.273 1.00 0.00 C ATOM 819 C VAL A 51 -4.048 1.062 0.643 1.00 0.00 C ATOM 820 O VAL A 51 -4.935 0.970 1.489 1.00 0.00 O ATOM 821 CB VAL A 51 -2.695 3.105 -0.073 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.548 2.545 -0.916 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.937 4.582 -0.386 1.00 0.00 C ATOM 0 H VAL A 51 -5.555 3.039 0.875 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.951 1.920 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.408 3.029 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.652 3.145 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.351 1.514 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.822 2.577 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.014 5.142 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.260 4.686 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.710 4.972 0.276 1.00 0.00 H new ATOM 833 N VAL A 52 -3.104 0.154 0.442 1.00 0.00 N ATOM 834 CA VAL A 52 -3.052 -1.060 1.239 1.00 0.00 C ATOM 835 C VAL A 52 -1.872 -0.979 2.209 1.00 0.00 C ATOM 836 O VAL A 52 -0.871 -0.323 1.921 1.00 0.00 O ATOM 837 CB VAL A 52 -2.991 -2.285 0.324 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.158 -3.401 0.958 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.396 -2.779 -0.026 1.00 0.00 C ATOM 0 H VAL A 52 -2.369 0.235 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.957 -1.163 1.837 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.501 -1.987 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.130 -4.260 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.143 -3.044 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.606 -3.695 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.324 -3.650 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.924 -3.052 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.943 -1.987 -0.538 1.00 0.00 H new ATOM 849 N ASP A 53 -2.028 -1.653 3.339 1.00 0.00 N ATOM 850 CA ASP A 53 -0.986 -1.664 4.353 1.00 0.00 C ATOM 851 C ASP A 53 -0.056 -2.854 4.108 1.00 0.00 C ATOM 852 O ASP A 53 1.152 -2.680 3.955 1.00 0.00 O ATOM 853 CB ASP A 53 -1.584 -1.811 5.754 1.00 0.00 C ATOM 854 CG ASP A 53 -1.406 -0.595 6.664 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.819 -0.691 7.752 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.906 0.504 6.209 1.00 0.00 O ATOM 0 H ASP A 53 -2.859 -2.195 3.575 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.442 -0.721 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.649 -2.021 5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.131 -2.677 6.237 1.00 0.00 H new ATOM 862 N THR A 54 -0.654 -4.036 4.080 1.00 0.00 N ATOM 863 CA THR A 54 0.107 -5.254 3.857 1.00 0.00 C ATOM 864 C THR A 54 -0.832 -6.415 3.527 1.00 0.00 C ATOM 865 O THR A 54 -2.043 -6.313 3.718 1.00 0.00 O ATOM 866 CB THR A 54 0.972 -5.504 5.093 1.00 0.00 C ATOM 867 OG1 THR A 54 2.202 -4.847 4.795 1.00 0.00 O ATOM 868 CG2 THR A 54 1.363 -6.975 5.246 1.00 0.00 C ATOM 0 H THR A 54 -1.656 -4.176 4.208 1.00 0.00 H new ATOM 0 HA THR A 54 0.768 -5.156 2.996 1.00 0.00 H new ATOM 0 HB THR A 54 0.436 -5.176 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.038 -4.116 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.976 -7.097 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.463 -7.583 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.929 -7.294 4.371 1.00 0.00 H new ATOM 876 N LEU A 55 -0.238 -7.493 3.037 1.00 0.00 N ATOM 877 CA LEU A 55 -1.006 -8.675 2.679 1.00 0.00 C ATOM 878 C LEU A 55 -0.160 -9.924 2.930 1.00 0.00 C ATOM 879 O LEU A 55 1.034 -9.824 3.208 1.00 0.00 O ATOM 880 CB LEU A 55 -1.525 -8.561 1.244 1.00 0.00 C ATOM 881 CG LEU A 55 -2.828 -9.304 0.941 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.955 -8.323 0.613 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.624 -10.336 -0.171 1.00 0.00 C ATOM 0 H LEU A 55 0.766 -7.573 2.879 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.892 -8.759 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.670 -7.505 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.753 -8.931 0.569 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.127 -9.849 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.870 -8.877 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.120 -7.661 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.680 -7.731 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.565 -10.850 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.290 -9.832 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.872 -11.061 0.139 1.00 0.00 H new ATOM 895 N ASP A 56 -0.812 -11.072 2.823 1.00 0.00 N ATOM 896 CA ASP A 56 -0.134 -12.340 3.035 1.00 0.00 C ATOM 897 C ASP A 56 -0.888 -13.446 2.295 1.00 0.00 C ATOM 898 O ASP A 56 -2.066 -13.686 2.563 1.00 0.00 O ATOM 899 CB ASP A 56 -0.098 -12.704 4.520 1.00 0.00 C ATOM 900 CG ASP A 56 1.280 -12.600 5.178 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.802 -11.497 5.396 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.828 -13.729 5.475 1.00 0.00 O ATOM 0 H ASP A 56 -1.802 -11.151 2.592 1.00 0.00 H new ATOM 0 HA ASP A 56 0.886 -12.243 2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.790 -12.053 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.464 -13.724 4.638 1.00 0.00 H new ATOM 908 N GLN A 57 -0.180 -14.092 1.380 1.00 0.00 N ATOM 909 CA GLN A 57 -0.768 -15.169 0.601 1.00 0.00 C ATOM 910 C GLN A 57 -1.035 -16.384 1.491 1.00 0.00 C ATOM 911 O GLN A 57 -0.265 -16.667 2.406 1.00 0.00 O ATOM 912 CB GLN A 57 0.127 -15.540 -0.583 1.00 0.00 C ATOM 913 CG GLN A 57 -0.660 -16.312 -1.644 1.00 0.00 C ATOM 914 CD GLN A 57 0.169 -17.467 -2.209 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.388 -17.462 -2.181 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.559 -18.455 -2.723 1.00 0.00 N ATOM 0 H GLN A 57 0.795 -13.890 1.161 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.720 -14.823 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.547 -14.636 -1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.965 -16.144 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.581 -16.700 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.948 -15.638 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.577 -18.396 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.099 -19.271 -3.126 1.00 0.00 H new ATOM 925 N ILE A 58 -2.128 -17.070 1.189 1.00 0.00 N ATOM 926 CA ILE A 58 -2.506 -18.248 1.950 1.00 0.00 C ATOM 927 C ILE A 58 -1.883 -19.488 1.303 1.00 0.00 C ATOM 928 O ILE A 58 -1.991 -19.683 0.094 1.00 0.00 O ATOM 929 CB ILE A 58 -4.026 -18.328 2.094 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.601 -16.999 2.589 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.431 -19.498 2.993 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.852 -16.506 3.829 1.00 0.00 C ATOM 0 H ILE A 58 -2.764 -16.832 0.428 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.116 -18.187 2.966 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.453 -18.516 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.533 -16.252 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.659 -17.121 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.517 -19.532 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.072 -20.431 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.993 -19.365 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.280 -15.560 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.942 -17.244 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.799 -16.362 3.585 1.00 0.00 H new ATOM 944 N PHE A 59 -1.245 -20.294 2.139 1.00 0.00 N ATOM 945 CA PHE A 59 -0.606 -21.510 1.665 1.00 0.00 C ATOM 946 C PHE A 59 -1.622 -22.644 1.522 1.00 0.00 C ATOM 947 O PHE A 59 -1.424 -23.564 0.729 1.00 0.00 O ATOM 948 CB PHE A 59 0.437 -21.905 2.711 1.00 0.00 C ATOM 949 CG PHE A 59 1.517 -22.855 2.188 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.800 -22.422 2.062 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.192 -24.130 1.847 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.801 -23.303 1.576 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.194 -25.011 1.361 1.00 0.00 C ATOM 954 CZ PHE A 59 3.478 -24.580 1.235 1.00 0.00 C ATOM 0 H PHE A 59 -1.157 -20.129 3.142 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.156 -21.336 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.915 -21.002 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.069 -22.376 3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.057 -21.408 2.332 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.173 -24.473 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.820 -22.959 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.936 -26.024 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.240 -25.250 0.865 1.00 0.00 H new ATOM 964 N GLY A 60 -2.688 -22.543 2.301 1.00 0.00 N ATOM 965 CA GLY A 60 -3.736 -23.548 2.272 1.00 0.00 C ATOM 966 C GLY A 60 -4.315 -23.696 0.864 1.00 0.00 C ATOM 967 O GLY A 60 -4.428 -24.807 0.348 1.00 0.00 O ATOM 0 H GLY A 60 -2.849 -21.779 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.336 -24.505 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.528 -23.272 2.968 1.00 0.00 H new ATOM 971 N LYS A 61 -4.666 -22.559 0.281 1.00 0.00 N ATOM 972 CA LYS A 61 -5.230 -22.548 -1.059 1.00 0.00 C ATOM 973 C LYS A 61 -4.672 -21.352 -1.833 1.00 0.00 C ATOM 974 O LYS A 61 -3.558 -20.903 -1.568 1.00 0.00 O ATOM 975 CB LYS A 61 -6.759 -22.580 -0.996 1.00 0.00 C ATOM 976 CG LYS A 61 -7.313 -21.266 -0.442 1.00 0.00 C ATOM 977 CD LYS A 61 -8.823 -21.167 -0.672 1.00 0.00 C ATOM 978 CE LYS A 61 -9.596 -21.629 0.564 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.897 -20.927 0.653 1.00 0.00 N ATOM 0 H LYS A 61 -4.571 -21.639 0.711 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.937 -23.446 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.164 -22.758 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.083 -23.409 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.099 -21.198 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.813 -20.425 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.092 -20.138 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.105 -21.777 -1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.759 -22.706 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.009 -21.435 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.410 -21.252 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.735 -19.902 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.462 -21.134 -0.196 1.00 0.00 H new ATOM 992 N LEU A 62 -5.471 -20.871 -2.774 1.00 0.00 N ATOM 993 CA LEU A 62 -5.071 -19.737 -3.587 1.00 0.00 C ATOM 994 C LEU A 62 -5.689 -18.459 -3.015 1.00 0.00 C ATOM 995 O LEU A 62 -6.219 -17.635 -3.758 1.00 0.00 O ATOM 996 CB LEU A 62 -5.418 -19.982 -5.057 1.00 0.00 C ATOM 997 CG LEU A 62 -4.622 -21.085 -5.760 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.544 -21.992 -6.575 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.500 -20.491 -6.613 1.00 0.00 C ATOM 0 H LEU A 62 -6.394 -21.247 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.989 -19.610 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.478 -20.228 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.272 -19.051 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.152 -21.707 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.953 -22.767 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.275 -22.457 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.062 -21.400 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.950 -21.295 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.927 -19.832 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.822 -19.922 -5.977 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.601 -18.336 -1.699 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.145 -17.174 -1.018 1.00 0.00 C ATOM 1013 C GLU A 63 -5.013 -16.270 -0.524 1.00 0.00 C ATOM 1014 O GLU A 63 -3.848 -16.660 -0.547 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.057 -17.592 0.138 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.318 -16.726 0.181 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.503 -17.451 -0.460 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.369 -17.998 -1.565 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.592 -17.434 0.230 1.00 0.00 O ATOM 0 H GLU A 63 -5.161 -19.022 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.750 -16.611 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.335 -18.640 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.518 -17.504 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.556 -16.475 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.136 -15.787 -0.341 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.397 -15.078 -0.089 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.430 -14.116 0.409 1.00 0.00 C ATOM 1029 C ALA A 64 -5.130 -13.142 1.360 1.00 0.00 C ATOM 1030 O ALA A 64 -6.069 -12.452 0.967 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.765 -13.403 -0.770 1.00 0.00 C ATOM 0 H ALA A 64 -6.365 -14.757 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.643 -14.619 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.039 -12.681 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.258 -14.135 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.524 -12.885 -1.356 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.644 -13.117 2.592 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.211 -12.238 3.602 1.00 0.00 C ATOM 1039 C GLU A 65 -4.326 -11.005 3.790 1.00 0.00 C ATOM 1040 O GLU A 65 -3.100 -11.113 3.810 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.407 -12.980 4.926 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.157 -12.110 5.936 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.528 -12.218 7.326 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -4.658 -11.407 7.678 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -5.976 -13.184 8.053 1.00 0.00 O ATOM 0 H GLU A 65 -3.865 -13.691 2.914 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.192 -11.908 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.962 -13.902 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.437 -13.264 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.144 -11.071 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.202 -12.417 5.981 1.00 0.00 H new ATOM 1053 N GLY A 66 -4.980 -9.861 3.922 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.267 -8.608 4.108 1.00 0.00 C ATOM 1055 C GLY A 66 -5.178 -7.546 4.730 1.00 0.00 C ATOM 1056 O GLY A 66 -6.391 -7.734 4.809 1.00 0.00 O ATOM 0 H GLY A 66 -5.996 -9.775 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.401 -8.770 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.891 -8.253 3.148 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.557 -6.456 5.153 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.296 -5.364 5.765 1.00 0.00 C ATOM 1062 C TYR A 67 -5.178 -4.088 4.931 1.00 0.00 C ATOM 1063 O TYR A 67 -4.118 -3.799 4.376 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.647 -5.129 7.131 1.00 0.00 C ATOM 1065 CG TYR A 67 -4.848 -3.714 7.680 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.094 -3.317 8.120 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -3.784 -2.838 7.733 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.283 -1.986 8.637 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -3.973 -1.507 8.250 1.00 0.00 C ATOM 1070 CZ TYR A 67 -5.213 -1.147 8.677 1.00 0.00 C ATOM 1071 OH TYR A 67 -5.392 0.111 9.164 1.00 0.00 O ATOM 0 H TYR A 67 -3.551 -6.305 5.084 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.354 -5.612 5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.055 -5.846 7.844 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.578 -5.329 7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.927 -4.003 8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.810 -3.150 7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.252 -1.661 8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.149 -0.811 8.297 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.542 0.598 9.133 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.281 -3.356 4.868 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.315 -2.116 4.110 1.00 0.00 C ATOM 1083 C ALA A 68 -6.337 -0.933 5.079 1.00 0.00 C ATOM 1084 O ALA A 68 -6.594 -1.105 6.270 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.524 -2.124 3.172 1.00 0.00 C ATOM 0 H ALA A 68 -7.158 -3.598 5.329 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.423 -2.019 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.550 -1.194 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.446 -2.967 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.438 -2.216 3.758 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.063 0.243 4.532 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.048 1.455 5.334 1.00 0.00 C ATOM 1093 C LYS A 69 -6.545 2.628 4.485 1.00 0.00 C ATOM 1094 O LYS A 69 -6.340 2.653 3.273 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.661 1.680 5.940 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.577 3.046 6.624 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.107 4.122 5.643 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.579 4.199 5.604 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.140 5.442 4.931 1.00 0.00 N ATOM 0 H LYS A 69 -5.850 0.382 3.544 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.729 1.361 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.444 0.893 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.904 1.613 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.554 3.316 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.889 2.993 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.489 3.902 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.516 5.089 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.181 4.168 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.179 3.333 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.251 5.265 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.871 5.749 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.989 6.187 5.641 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.190 3.571 5.157 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.718 4.743 4.480 1.00 0.00 C ATOM 1114 C ILE A 70 -7.587 5.959 5.399 1.00 0.00 C ATOM 1115 O ILE A 70 -7.757 5.847 6.612 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.148 4.486 4.001 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.169 3.470 2.858 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.842 5.795 3.617 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.594 2.985 2.581 1.00 0.00 C ATOM 0 H ILE A 70 -7.359 3.547 6.163 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.139 4.957 3.582 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.712 4.053 4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.753 3.922 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.534 2.620 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.857 5.584 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.877 6.456 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.287 6.279 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.580 2.264 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.998 2.512 3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.220 3.834 2.305 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.285 7.095 4.787 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.129 8.330 5.534 1.00 0.00 C ATOM 1133 C TYR A 71 -8.107 9.397 5.040 1.00 0.00 C ATOM 1134 O TYR A 71 -8.942 9.128 4.178 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.699 8.805 5.270 1.00 0.00 C ATOM 1136 CG TYR A 71 -5.037 9.485 6.469 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.907 10.860 6.500 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.569 8.725 7.523 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -4.284 11.499 7.628 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -3.946 9.366 8.652 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.835 10.721 8.649 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.246 11.326 9.716 1.00 0.00 O ATOM 0 H TYR A 71 -7.144 7.185 3.781 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.326 8.165 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.093 7.950 4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.707 9.500 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.273 11.455 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.670 7.650 7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.175 12.573 7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.575 8.783 9.482 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.937 11.670 10.320 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.972 10.587 5.607 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.833 11.696 5.235 1.00 0.00 C ATOM 1154 C ASN A 72 -8.050 12.673 4.356 1.00 0.00 C ATOM 1155 O ASN A 72 -8.467 12.981 3.241 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.317 12.458 6.471 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.702 11.975 6.905 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.700 12.662 6.763 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.708 10.758 7.442 1.00 0.00 N ATOM 0 H ASN A 72 -7.278 10.807 6.322 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.692 11.289 4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.608 12.322 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.352 13.526 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.584 10.347 7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.836 10.236 7.532 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.928 13.133 4.891 1.00 0.00 N ATOM 1167 CA ASP A 73 -6.083 14.067 4.168 1.00 0.00 C ATOM 1168 C ASP A 73 -4.627 13.604 4.255 1.00 0.00 C ATOM 1169 O ASP A 73 -4.130 13.305 5.340 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.168 15.469 4.775 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.744 15.527 6.191 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -6.058 15.205 7.173 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -7.968 15.929 6.266 1.00 0.00 O ATOM 0 H ASP A 73 -6.585 12.876 5.817 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.425 14.099 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.169 15.904 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.780 16.094 4.124 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.984 13.558 3.097 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.596 13.136 3.028 1.00 0.00 C ATOM 1181 C GLU A 74 -1.709 14.096 3.821 1.00 0.00 C ATOM 1182 O GLU A 74 -0.588 13.751 4.192 1.00 0.00 O ATOM 1183 CB GLU A 74 -2.127 13.028 1.576 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.990 12.037 0.792 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.232 11.490 -0.420 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -1.365 10.617 -0.266 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.574 12.002 -1.553 1.00 0.00 O ATOM 0 H GLU A 74 -4.399 13.806 2.199 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.516 12.145 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.172 14.009 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.085 12.708 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.287 11.214 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.905 12.528 0.462 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.244 15.285 4.060 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.514 16.299 4.803 1.00 0.00 C ATOM 1197 C LYS A 75 -1.158 15.753 6.187 1.00 0.00 C ATOM 1198 O LYS A 75 -0.004 15.824 6.608 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.307 17.607 4.843 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.107 18.408 3.554 1.00 0.00 C ATOM 1201 CD LYS A 75 -1.582 19.813 3.858 1.00 0.00 C ATOM 1202 CE LYS A 75 -2.607 20.620 4.659 1.00 0.00 C ATOM 1203 NZ LYS A 75 -2.553 22.049 4.277 1.00 0.00 N ATOM 0 H LYS A 75 -3.174 15.569 3.752 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.575 16.537 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.366 17.390 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.990 18.203 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.405 17.887 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.052 18.478 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.650 19.743 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.355 20.330 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.608 20.227 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.409 20.515 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.254 22.583 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.602 22.424 4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.764 22.146 3.263 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.170 15.220 6.856 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.978 14.663 8.184 1.00 0.00 C ATOM 1218 C ALA A 76 -1.191 13.356 8.075 1.00 0.00 C ATOM 1219 O ALA A 76 -0.182 13.176 8.754 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.338 14.470 8.859 1.00 0.00 C ATOM 0 H ALA A 76 -3.125 15.162 6.503 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.399 15.346 8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.194 14.052 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.844 15.432 8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.946 13.788 8.264 1.00 0.00 H new ATOM 1226 N MET A 77 -1.683 12.477 7.213 1.00 0.00 N ATOM 1227 CA MET A 77 -1.038 11.191 7.007 1.00 0.00 C ATOM 1228 C MET A 77 0.449 11.368 6.696 1.00 0.00 C ATOM 1229 O MET A 77 1.294 10.688 7.278 1.00 0.00 O ATOM 1230 CB MET A 77 -1.719 10.460 5.848 1.00 0.00 C ATOM 1231 CG MET A 77 -0.717 9.590 5.085 1.00 0.00 C ATOM 1232 SD MET A 77 -1.584 8.467 4.001 1.00 0.00 S ATOM 1233 CE MET A 77 -1.021 9.067 2.418 1.00 0.00 C ATOM 0 H MET A 77 -2.520 12.630 6.650 1.00 0.00 H new ATOM 0 HA MET A 77 -1.131 10.607 7.922 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.529 9.838 6.231 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.168 11.185 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.043 10.221 4.505 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.102 9.028 5.788 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.470 8.472 1.623 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.313 10.110 2.300 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.065 8.986 2.363 1.00 0.00 H new ATOM 1243 N ALA A 78 0.725 12.284 5.780 1.00 0.00 N ATOM 1244 CA ALA A 78 2.097 12.558 5.386 1.00 0.00 C ATOM 1245 C ALA A 78 2.956 12.749 6.638 1.00 0.00 C ATOM 1246 O ALA A 78 4.151 12.465 6.625 1.00 0.00 O ATOM 1247 CB ALA A 78 2.129 13.781 4.466 1.00 0.00 C ATOM 0 H ALA A 78 0.023 12.846 5.299 1.00 0.00 H new ATOM 0 HA ALA A 78 2.510 11.718 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.158 13.987 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.529 13.584 3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.724 14.644 4.994 1.00 0.00 H new ATOM 1253 N THR A 79 2.310 13.230 7.691 1.00 0.00 N ATOM 1254 CA THR A 79 2.999 13.462 8.950 1.00 0.00 C ATOM 1255 C THR A 79 2.940 12.211 9.828 1.00 0.00 C ATOM 1256 O THR A 79 3.968 11.597 10.111 1.00 0.00 O ATOM 1257 CB THR A 79 2.379 14.696 9.607 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.692 15.761 8.711 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.087 15.084 10.908 1.00 0.00 C ATOM 0 H THR A 79 1.318 13.465 7.698 1.00 0.00 H new ATOM 0 HA THR A 79 4.059 13.659 8.791 1.00 0.00 H new ATOM 0 HB THR A 79 1.324 14.509 9.809 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.325 16.600 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.608 15.966 11.334 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.024 14.258 11.617 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.134 15.304 10.701 1.00 0.00 H new ATOM 1267 N ILE A 80 1.727 11.871 10.236 1.00 0.00 N ATOM 1268 CA ILE A 80 1.520 10.704 11.077 1.00 0.00 C ATOM 1269 C ILE A 80 2.289 9.517 10.493 1.00 0.00 C ATOM 1270 O ILE A 80 3.338 9.136 11.011 1.00 0.00 O ATOM 1271 CB ILE A 80 0.026 10.437 11.265 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.644 11.578 12.032 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.210 9.081 11.934 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.084 11.219 12.404 1.00 0.00 C ATOM 0 H ILE A 80 0.877 12.383 10.000 1.00 0.00 H new ATOM 0 HA ILE A 80 1.916 10.880 12.077 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.439 10.395 10.280 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.075 11.796 12.936 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.637 12.483 11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.281 8.917 12.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.210 8.290 11.312 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.272 9.069 12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.537 12.048 12.948 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.657 11.025 11.497 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.086 10.328 13.032 1.00 0.00 H new ATOM 1286 N GLU A 81 1.737 8.964 9.423 1.00 0.00 N ATOM 1287 CA GLU A 81 2.357 7.829 8.762 1.00 0.00 C ATOM 1288 C GLU A 81 3.865 8.051 8.630 1.00 0.00 C ATOM 1289 O GLU A 81 4.354 9.160 8.840 1.00 0.00 O ATOM 1290 CB GLU A 81 1.719 7.572 7.397 1.00 0.00 C ATOM 1291 CG GLU A 81 0.487 6.675 7.527 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.735 7.481 7.970 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -1.759 7.489 7.273 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -0.594 8.115 9.085 1.00 0.00 O ATOM 0 H GLU A 81 0.866 9.282 8.997 1.00 0.00 H new ATOM 0 HA GLU A 81 2.192 6.943 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.436 8.520 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.446 7.103 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.282 6.193 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.685 5.882 8.248 1.00 0.00 H new ATOM 1302 N THR A 82 4.561 6.978 8.282 1.00 0.00 N ATOM 1303 CA THR A 82 6.003 7.041 8.119 1.00 0.00 C ATOM 1304 C THR A 82 6.397 6.639 6.697 1.00 0.00 C ATOM 1305 O THR A 82 5.543 6.269 5.894 1.00 0.00 O ATOM 1306 CB THR A 82 6.640 6.161 9.197 1.00 0.00 C ATOM 1307 OG1 THR A 82 5.999 4.899 9.039 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.256 6.599 10.613 1.00 0.00 C ATOM 0 H THR A 82 4.152 6.060 8.108 1.00 0.00 H new ATOM 0 HA THR A 82 6.371 8.059 8.250 1.00 0.00 H new ATOM 0 HB THR A 82 7.725 6.185 9.091 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.354 4.267 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.734 5.942 11.339 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.586 7.625 10.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.174 6.543 10.730 1.00 0.00 H new ATOM 1316 N LYS A 83 7.692 6.727 6.429 1.00 0.00 N ATOM 1317 CA LYS A 83 8.210 6.377 5.117 1.00 0.00 C ATOM 1318 C LYS A 83 7.884 4.913 4.819 1.00 0.00 C ATOM 1319 O LYS A 83 7.964 4.477 3.671 1.00 0.00 O ATOM 1320 CB LYS A 83 9.701 6.707 5.025 1.00 0.00 C ATOM 1321 CG LYS A 83 10.514 5.847 5.994 1.00 0.00 C ATOM 1322 CD LYS A 83 10.886 4.505 5.358 1.00 0.00 C ATOM 1323 CE LYS A 83 12.313 4.539 4.805 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.565 3.356 3.951 1.00 0.00 N ATOM 0 H LYS A 83 8.398 7.035 7.098 1.00 0.00 H new ATOM 0 HA LYS A 83 7.727 6.975 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.051 6.543 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.858 7.762 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.420 6.379 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.939 5.675 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.798 3.710 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.186 4.272 4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.464 5.451 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.028 4.560 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.537 3.394 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.441 2.490 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.894 3.353 3.156 1.00 0.00 H new ATOM 1337 N SER A 84 7.524 4.194 5.871 1.00 0.00 N ATOM 1338 CA SER A 84 7.186 2.786 5.736 1.00 0.00 C ATOM 1339 C SER A 84 5.792 2.640 5.123 1.00 0.00 C ATOM 1340 O SER A 84 5.588 1.827 4.223 1.00 0.00 O ATOM 1341 CB SER A 84 7.249 2.072 7.088 1.00 0.00 C ATOM 1342 OG SER A 84 7.949 0.833 7.005 1.00 0.00 O ATOM 0 H SER A 84 7.459 4.559 6.821 1.00 0.00 H new ATOM 0 HA SER A 84 7.917 2.320 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.740 2.718 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.237 1.893 7.451 1.00 0.00 H new ATOM 0 HG SER A 84 7.969 0.409 7.888 1.00 0.00 H new ATOM 1348 N VAL A 85 4.868 3.440 5.635 1.00 0.00 N ATOM 1349 CA VAL A 85 3.499 3.409 5.150 1.00 0.00 C ATOM 1350 C VAL A 85 3.437 4.067 3.769 1.00 0.00 C ATOM 1351 O VAL A 85 2.950 3.466 2.813 1.00 0.00 O ATOM 1352 CB VAL A 85 2.568 4.069 6.168 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.144 4.183 5.617 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.582 3.310 7.497 1.00 0.00 C ATOM 0 H VAL A 85 5.041 4.114 6.381 1.00 0.00 H new ATOM 0 HA VAL A 85 3.157 2.380 5.036 1.00 0.00 H new ATOM 0 HB VAL A 85 2.937 5.078 6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.503 4.656 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.152 4.786 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.762 3.188 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.912 3.800 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.250 2.285 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.594 3.304 7.902 1.00 0.00 H new ATOM 1364 N LEU A 86 3.938 5.292 3.711 1.00 0.00 N ATOM 1365 CA LEU A 86 3.946 6.038 2.463 1.00 0.00 C ATOM 1366 C LEU A 86 4.704 5.238 1.401 1.00 0.00 C ATOM 1367 O LEU A 86 4.457 5.398 0.207 1.00 0.00 O ATOM 1368 CB LEU A 86 4.502 7.446 2.685 1.00 0.00 C ATOM 1369 CG LEU A 86 3.493 8.500 3.147 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.356 7.859 3.943 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.186 9.615 3.931 1.00 0.00 C ATOM 0 H LEU A 86 4.341 5.787 4.507 1.00 0.00 H new ATOM 0 HA LEU A 86 2.930 6.176 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.301 7.387 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.954 7.788 1.754 1.00 0.00 H new ATOM 0 HG LEU A 86 3.048 8.957 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.653 8.630 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.839 7.131 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.764 7.358 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.447 10.351 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.676 9.193 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.930 10.098 3.297 1.00 0.00 H new ATOM 1383 N GLU A 87 5.609 4.395 1.874 1.00 0.00 N ATOM 1384 CA GLU A 87 6.404 3.571 0.980 1.00 0.00 C ATOM 1385 C GLU A 87 5.492 2.760 0.056 1.00 0.00 C ATOM 1386 O GLU A 87 5.684 2.751 -1.159 1.00 0.00 O ATOM 1387 CB GLU A 87 7.342 2.655 1.767 1.00 0.00 C ATOM 1388 CG GLU A 87 8.797 3.107 1.625 1.00 0.00 C ATOM 1389 CD GLU A 87 9.558 2.208 0.649 1.00 0.00 C ATOM 1390 OE1 GLU A 87 8.960 1.677 -0.299 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.815 2.069 0.902 1.00 0.00 O ATOM 0 H GLU A 87 5.810 4.265 2.866 1.00 0.00 H new ATOM 0 HA GLU A 87 7.022 4.226 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.058 2.656 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.239 1.630 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.828 4.139 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.285 3.086 2.600 1.00 0.00 H new ATOM 1399 N LYS A 88 4.522 2.097 0.669 1.00 0.00 N ATOM 1400 CA LYS A 88 3.581 1.284 -0.083 1.00 0.00 C ATOM 1401 C LYS A 88 3.030 2.101 -1.254 1.00 0.00 C ATOM 1402 O LYS A 88 3.258 1.761 -2.414 1.00 0.00 O ATOM 1403 CB LYS A 88 2.497 0.726 0.841 1.00 0.00 C ATOM 1404 CG LYS A 88 3.111 -0.128 1.952 1.00 0.00 C ATOM 1405 CD LYS A 88 2.987 0.567 3.309 1.00 0.00 C ATOM 1406 CE LYS A 88 1.540 0.978 3.586 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.290 1.044 5.043 1.00 0.00 N ATOM 0 H LYS A 88 4.367 2.106 1.677 1.00 0.00 H new ATOM 0 HA LYS A 88 4.083 0.415 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.930 1.547 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.794 0.126 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.613 -1.097 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.161 -0.318 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.336 -0.101 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.629 1.448 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.338 1.948 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.858 0.263 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.364 1.484 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.297 0.083 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.034 1.612 5.497 1.00 0.00 H new ATOM 1420 N ASN A 89 2.316 3.163 -0.909 1.00 0.00 N ATOM 1421 CA ASN A 89 1.731 4.030 -1.918 1.00 0.00 C ATOM 1422 C ASN A 89 2.849 4.747 -2.678 1.00 0.00 C ATOM 1423 O ASN A 89 3.497 5.642 -2.137 1.00 0.00 O ATOM 1424 CB ASN A 89 0.837 5.094 -1.277 1.00 0.00 C ATOM 1425 CG ASN A 89 -0.037 5.781 -2.328 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.368 5.220 -3.360 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.392 7.022 -2.010 1.00 0.00 N ATOM 0 H ASN A 89 2.130 3.442 0.054 1.00 0.00 H new ATOM 0 HA ASN A 89 1.134 3.413 -2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.205 4.634 -0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.454 5.836 -0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.976 7.564 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.080 7.432 -1.130 1.00 0.00 H new ATOM 1434 N LYS A 90 3.040 4.327 -3.920 1.00 0.00 N ATOM 1435 CA LYS A 90 4.067 4.917 -4.760 1.00 0.00 C ATOM 1436 C LYS A 90 3.983 6.442 -4.667 1.00 0.00 C ATOM 1437 O LYS A 90 2.900 6.997 -4.486 1.00 0.00 O ATOM 1438 CB LYS A 90 3.965 4.382 -6.190 1.00 0.00 C ATOM 1439 CG LYS A 90 5.172 3.508 -6.536 1.00 0.00 C ATOM 1440 CD LYS A 90 5.354 3.401 -8.051 1.00 0.00 C ATOM 1441 CE LYS A 90 5.790 4.741 -8.648 1.00 0.00 C ATOM 1442 NZ LYS A 90 6.676 4.527 -9.813 1.00 0.00 N ATOM 0 H LYS A 90 2.500 3.585 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 90 5.057 4.629 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.048 3.803 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.902 5.215 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.071 3.929 -6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.039 2.513 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.099 2.638 -8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.419 3.081 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.913 5.313 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.309 5.330 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.962 5.447 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.521 4.000 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.168 3.983 -10.540 1.00 0.00 H new ATOM 1455 N ILE A 91 5.139 7.077 -4.794 1.00 0.00 N ATOM 1456 CA ILE A 91 5.208 8.526 -4.727 1.00 0.00 C ATOM 1457 C ILE A 91 5.697 9.072 -6.070 1.00 0.00 C ATOM 1458 O ILE A 91 4.891 9.412 -6.935 1.00 0.00 O ATOM 1459 CB ILE A 91 6.064 8.966 -3.537 1.00 0.00 C ATOM 1460 CG1 ILE A 91 5.468 8.468 -2.219 1.00 0.00 C ATOM 1461 CG2 ILE A 91 6.265 10.483 -3.538 1.00 0.00 C ATOM 1462 CD1 ILE A 91 4.008 8.901 -2.079 1.00 0.00 C ATOM 0 H ILE A 91 6.035 6.614 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 91 4.218 8.947 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 91 7.049 8.510 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.535 7.381 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.048 8.858 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.876 10.770 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.766 10.783 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 91 5.296 10.978 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.609 8.534 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.948 9.989 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.426 8.489 -2.903 1.00 0.00 H new ATOM 1474 N GLU A 92 7.013 9.140 -6.202 1.00 0.00 N ATOM 1475 CA GLU A 92 7.618 9.638 -7.426 1.00 0.00 C ATOM 1476 C GLU A 92 9.101 9.268 -7.475 1.00 0.00 C ATOM 1477 O GLU A 92 9.583 8.510 -6.634 1.00 0.00 O ATOM 1478 CB GLU A 92 7.426 11.151 -7.555 1.00 0.00 C ATOM 1479 CG GLU A 92 6.972 11.526 -8.967 1.00 0.00 C ATOM 1480 CD GLU A 92 5.478 11.858 -8.993 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.701 11.171 -9.674 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.131 12.869 -8.271 1.00 0.00 O ATOM 0 H GLU A 92 7.678 8.859 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 92 7.119 9.167 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.687 11.491 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.361 11.661 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.545 12.383 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.177 10.701 -9.650 1.00 0.00 H new ATOM 1490 N GLU A 93 9.784 9.820 -8.466 1.00 0.00 N ATOM 1491 CA GLU A 93 11.204 9.558 -8.634 1.00 0.00 C ATOM 1492 C GLU A 93 11.995 10.866 -8.582 1.00 0.00 C ATOM 1493 O GLU A 93 11.420 11.936 -8.397 1.00 0.00 O ATOM 1494 CB GLU A 93 11.471 8.807 -9.941 1.00 0.00 C ATOM 1495 CG GLU A 93 10.914 9.577 -11.140 1.00 0.00 C ATOM 1496 CD GLU A 93 11.636 9.181 -12.429 1.00 0.00 C ATOM 1497 OE1 GLU A 93 12.601 9.848 -12.830 1.00 0.00 O ATOM 1498 OE2 GLU A 93 11.161 8.137 -13.021 1.00 0.00 O ATOM 0 H GLU A 93 9.381 10.448 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 93 11.537 8.923 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.543 8.658 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.015 7.818 -9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.847 9.378 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.024 10.648 -10.972 1.00 0.00 H new ATOM 1506 N GLU A 94 13.303 10.736 -8.749 1.00 0.00 N ATOM 1507 CA GLU A 94 14.180 11.894 -8.723 1.00 0.00 C ATOM 1508 C GLU A 94 14.221 12.560 -10.100 1.00 0.00 C ATOM 1509 O GLU A 94 13.336 12.341 -10.925 1.00 0.00 O ATOM 1510 CB GLU A 94 15.586 11.508 -8.259 1.00 0.00 C ATOM 1511 CG GLU A 94 16.304 10.673 -9.320 1.00 0.00 C ATOM 1512 CD GLU A 94 17.685 10.232 -8.829 1.00 0.00 C ATOM 1513 OE1 GLU A 94 17.877 9.053 -8.498 1.00 0.00 O ATOM 1514 OE2 GLU A 94 18.577 11.163 -8.801 1.00 0.00 O ATOM 0 H GLU A 94 13.777 9.846 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 94 13.781 12.611 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.163 12.408 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.524 10.944 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.704 9.796 -9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.408 11.254 -10.236 1.00 0.00 H new ATOM 1522 N ALA A 95 15.259 13.358 -10.305 1.00 0.00 N ATOM 1523 CA ALA A 95 15.427 14.057 -11.568 1.00 0.00 C ATOM 1524 C ALA A 95 16.480 15.155 -11.402 1.00 0.00 C ATOM 1525 O ALA A 95 16.172 16.250 -10.934 1.00 0.00 O ATOM 1526 CB ALA A 95 14.077 14.609 -12.029 1.00 0.00 C ATOM 0 H ALA A 95 15.992 13.536 -9.618 1.00 0.00 H new ATOM 0 HA ALA A 95 15.781 13.375 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.203 15.133 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.373 13.787 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.692 15.301 -11.280 1.00 0.00 H new ATOM 1532 N GLU A 96 17.702 14.822 -11.794 1.00 0.00 N ATOM 1533 CA GLU A 96 18.802 15.766 -11.695 1.00 0.00 C ATOM 1534 C GLU A 96 18.365 17.145 -12.192 1.00 0.00 C ATOM 1535 O GLU A 96 18.332 18.104 -11.422 1.00 0.00 O ATOM 1536 CB GLU A 96 20.024 15.266 -12.468 1.00 0.00 C ATOM 1537 CG GLU A 96 20.703 14.110 -11.733 1.00 0.00 C ATOM 1538 CD GLU A 96 22.077 13.807 -12.335 1.00 0.00 C ATOM 1539 OE1 GLU A 96 23.106 14.062 -11.691 1.00 0.00 O ATOM 1540 OE2 GLU A 96 22.051 13.289 -13.516 1.00 0.00 O ATOM 0 H GLU A 96 17.954 13.912 -12.180 1.00 0.00 H new ATOM 0 HA GLU A 96 19.087 15.854 -10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 96 19.721 14.941 -13.463 1.00 0.00 H new ATOM 0 HB3 GLU A 96 20.733 16.083 -12.602 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.812 14.360 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 96 20.075 13.221 -11.787 1.00 0.00 H new ATOM 1548 N ALA A 97 18.039 17.201 -13.475 1.00 0.00 N ATOM 1549 CA ALA A 97 17.606 18.447 -14.083 1.00 0.00 C ATOM 1550 C ALA A 97 17.072 18.164 -15.489 1.00 0.00 C ATOM 1551 O ALA A 97 17.766 17.571 -16.313 1.00 0.00 O ATOM 1552 CB ALA A 97 18.767 19.443 -14.090 1.00 0.00 C ATOM 0 H ALA A 97 18.066 16.403 -14.110 1.00 0.00 H new ATOM 0 HA ALA A 97 16.797 18.895 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.442 20.378 -14.546 1.00 0.00 H new ATOM 0 HB2 ALA A 97 19.090 19.632 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 97 19.598 19.030 -14.662 1.00 0.00 H new ATOM 1558 N GLU A 98 15.842 18.603 -15.719 1.00 0.00 N ATOM 1559 CA GLU A 98 15.207 18.404 -17.011 1.00 0.00 C ATOM 1560 C GLU A 98 16.128 18.884 -18.135 1.00 0.00 C ATOM 1561 O GLU A 98 16.449 18.124 -19.047 1.00 0.00 O ATOM 1562 CB GLU A 98 13.853 19.114 -17.071 1.00 0.00 C ATOM 1563 CG GLU A 98 12.703 18.108 -16.993 1.00 0.00 C ATOM 1564 CD GLU A 98 11.484 18.722 -16.303 1.00 0.00 C ATOM 1565 OE1 GLU A 98 10.790 18.034 -15.541 1.00 0.00 O ATOM 1566 OE2 GLU A 98 11.267 19.963 -16.583 1.00 0.00 O ATOM 0 H GLU A 98 15.269 19.095 -15.033 1.00 0.00 H new ATOM 0 HA GLU A 98 15.028 17.337 -17.146 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.775 19.826 -16.249 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.779 19.686 -17.996 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.431 17.782 -17.997 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.027 17.222 -16.447 1.00 0.00 H new ATOM 1574 N VAL A 99 16.529 20.143 -18.032 1.00 0.00 N ATOM 1575 CA VAL A 99 17.406 20.734 -19.028 1.00 0.00 C ATOM 1576 C VAL A 99 18.448 21.609 -18.329 1.00 0.00 C ATOM 1577 O VAL A 99 18.136 22.294 -17.355 1.00 0.00 O ATOM 1578 CB VAL A 99 16.581 21.499 -20.064 1.00 0.00 C ATOM 1579 CG1 VAL A 99 15.764 20.539 -20.931 1.00 0.00 C ATOM 1580 CG2 VAL A 99 15.678 22.534 -19.391 1.00 0.00 C ATOM 0 H VAL A 99 16.262 20.770 -17.273 1.00 0.00 H new ATOM 0 HA VAL A 99 17.945 19.958 -19.571 1.00 0.00 H new ATOM 0 HB VAL A 99 17.273 22.033 -20.716 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.186 21.108 -21.659 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.436 19.858 -21.453 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.086 19.965 -20.299 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.103 23.064 -20.150 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.997 22.031 -18.705 1.00 0.00 H new ATOM 0 HG23 VAL A 99 16.290 23.246 -18.838 1.00 0.00 H new ATOM 1590 N ALA A 100 19.664 21.559 -18.852 1.00 0.00 N ATOM 1591 CA ALA A 100 20.754 22.338 -18.290 1.00 0.00 C ATOM 1592 C ALA A 100 20.345 23.811 -18.234 1.00 0.00 C ATOM 1593 O ALA A 100 19.849 24.360 -19.216 1.00 0.00 O ATOM 1594 CB ALA A 100 22.021 22.116 -19.119 1.00 0.00 C ATOM 0 H ALA A 100 19.919 20.991 -19.660 1.00 0.00 H new ATOM 0 HA ALA A 100 20.971 22.016 -17.271 1.00 0.00 H new ATOM 0 HB1 ALA A 100 22.839 22.700 -18.697 1.00 0.00 H new ATOM 0 HB2 ALA A 100 22.285 21.059 -19.104 1.00 0.00 H new ATOM 0 HB3 ALA A 100 21.843 22.431 -20.147 1.00 0.00 H new ATOM 1600 N GLU A 101 20.568 24.409 -17.073 1.00 0.00 N ATOM 1601 CA GLU A 101 20.228 25.809 -16.875 1.00 0.00 C ATOM 1602 C GLU A 101 21.499 26.646 -16.721 1.00 0.00 C ATOM 1603 O GLU A 101 22.593 26.102 -16.574 1.00 0.00 O ATOM 1604 CB GLU A 101 19.306 25.984 -15.667 1.00 0.00 C ATOM 1605 CG GLU A 101 18.479 27.265 -15.790 1.00 0.00 C ATOM 1606 CD GLU A 101 17.074 27.068 -15.216 1.00 0.00 C ATOM 1607 OE1 GLU A 101 16.189 26.544 -15.910 1.00 0.00 O ATOM 1608 OE2 GLU A 101 16.917 27.478 -14.004 1.00 0.00 O ATOM 0 H GLU A 101 20.980 23.951 -16.260 1.00 0.00 H new ATOM 0 HA GLU A 101 19.689 26.160 -17.755 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.641 25.124 -15.585 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.900 26.016 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.980 28.077 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.410 27.558 -16.838 1.00 0.00 H new ATOM 1616 N GLU A 102 21.314 27.957 -16.760 1.00 0.00 N ATOM 1617 CA GLU A 102 22.432 28.876 -16.626 1.00 0.00 C ATOM 1618 C GLU A 102 23.232 28.558 -15.361 1.00 0.00 C ATOM 1619 O GLU A 102 24.461 28.518 -15.394 1.00 0.00 O ATOM 1620 CB GLU A 102 21.951 30.329 -16.619 1.00 0.00 C ATOM 1621 CG GLU A 102 21.086 30.614 -15.389 1.00 0.00 C ATOM 1622 CD GLU A 102 21.703 31.720 -14.530 1.00 0.00 C ATOM 1623 OE1 GLU A 102 21.684 32.895 -14.926 1.00 0.00 O ATOM 1624 OE2 GLU A 102 22.216 31.323 -13.415 1.00 0.00 O ATOM 0 H GLU A 102 20.406 28.405 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 102 23.086 28.749 -17.488 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.810 31.000 -16.628 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.379 30.531 -17.525 1.00 0.00 H new ATOM 0 HG2 GLU A 102 20.085 30.909 -15.704 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.979 29.705 -14.797 1.00 0.00 H new TER 1632 GLU A 102