USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -21:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -115:sc= 0 (180deg=-0.301) USER MOD Single : A 52 SER OG : rot -66:sc= 1.23 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 61 ASN : amide:sc= -0.0155 K(o=-0.016,f=-0.86) USER MOD Single : A 65 SER OG : rot -101:sc= 1.2 USER MOD Single : A 66 GLN : amide:sc= 0.705 K(o=0.71,f=-0.96) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.637 (180deg=0.617) USER MOD Single : A 69 GLN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 72 MET CE :methyl -171:sc= 0 (180deg=-0.0937) USER MOD Single : A 78 ASN : amide:sc= 0.575 K(o=0.58,f=-0.046) USER MOD Single : A 80 THR OG1 : rot 88:sc= 1.23 USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -18:sc= 1.14 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -114:sc=-0.00035 (180deg=-0.302) USER MOD Single : B 52 SER OG : rot -34:sc= 1.28 USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 58 SER OG : rot 180:sc= -0.0144 USER MOD Single : B 61 ASN : amide:sc=-0.00947 K(o=-0.0095,f=-0.88) USER MOD Single : B 65 SER OG : rot -119:sc= 1.25 USER MOD Single : B 66 GLN : amide:sc= 0.718 K(o=0.72,f=-0.95) USER MOD Single : B 68 LYS NZ :NH3+ -179:sc= 0.624 (180deg=0.62) USER MOD Single : B 69 GLN : amide:sc= 0.687 K(o=0.69,f=-0.0028) USER MOD Single : B 72 MET CE :methyl -144:sc= 0 (180deg=-0.0974) USER MOD Single : B 78 ASN : amide:sc= 0.576 K(o=0.58,f=-0.051) USER MOD Single : B 80 THR OG1 : rot 89:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 38 -9.325 -16.799 -91.282 1.00 0.00 N ATOM 2 CA ASP A 38 -8.500 -17.436 -92.302 1.00 0.00 C ATOM 3 C ASP A 38 -7.851 -16.401 -93.212 1.00 0.00 C ATOM 4 O ASP A 38 -6.725 -16.587 -93.674 1.00 0.00 O ATOM 5 CB ASP A 38 -9.339 -18.406 -93.140 1.00 0.00 C ATOM 6 CG ASP A 38 -9.876 -19.576 -92.329 1.00 0.00 C ATOM 7 OD1 ASP A 38 -9.097 -20.235 -91.683 1.00 0.00 O ATOM 8 OD2 ASP A 38 -11.063 -19.801 -92.362 1.00 0.00 O ATOM 0 HA ASP A 38 -7.712 -17.990 -91.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.174 -17.865 -93.585 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.732 -18.788 -93.961 1.00 0.00 H new ATOM 13 N TYR A 39 -8.566 -15.311 -93.465 1.00 0.00 N ATOM 14 CA TYR A 39 -8.067 -14.251 -94.331 1.00 0.00 C ATOM 15 C TYR A 39 -6.974 -13.444 -93.641 1.00 0.00 C ATOM 16 O TYR A 39 -5.900 -13.229 -94.203 1.00 0.00 O ATOM 17 CB TYR A 39 -9.210 -13.330 -94.765 1.00 0.00 C ATOM 18 CG TYR A 39 -8.766 -12.169 -95.626 1.00 0.00 C ATOM 19 CD1 TYR A 39 -8.332 -12.394 -96.925 1.00 0.00 C ATOM 20 CD2 TYR A 39 -8.792 -10.878 -95.118 1.00 0.00 C ATOM 21 CE1 TYR A 39 -7.925 -11.333 -97.711 1.00 0.00 C ATOM 22 CE2 TYR A 39 -8.387 -9.818 -95.904 1.00 0.00 C ATOM 23 CZ TYR A 39 -7.954 -10.042 -97.196 1.00 0.00 C ATOM 24 OH TYR A 39 -7.550 -8.985 -97.979 1.00 0.00 O ATOM 0 H TYR A 39 -9.495 -15.138 -93.081 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.636 -14.719 -95.216 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.948 -13.916 -95.314 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.708 -12.942 -93.877 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.312 -13.398 -97.321 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.129 -10.702 -94.107 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.586 -11.506 -98.722 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.409 -8.813 -95.508 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.632 -8.151 -97.471 1.00 0.00 H new ATOM 34 N LEU A 40 -7.254 -13.002 -92.420 1.00 0.00 N ATOM 35 CA LEU A 40 -6.493 -11.921 -91.804 1.00 0.00 C ATOM 36 C LEU A 40 -5.037 -12.320 -91.599 1.00 0.00 C ATOM 37 O LEU A 40 -4.128 -11.516 -91.807 1.00 0.00 O ATOM 38 CB LEU A 40 -7.118 -11.534 -90.458 1.00 0.00 C ATOM 39 CG LEU A 40 -8.491 -10.855 -90.533 1.00 0.00 C ATOM 40 CD1 LEU A 40 -9.012 -10.605 -89.124 1.00 0.00 C ATOM 41 CD2 LEU A 40 -8.372 -9.553 -91.311 1.00 0.00 C ATOM 0 H LEU A 40 -8.003 -13.376 -91.837 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.523 -11.064 -92.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.211 -12.433 -89.849 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.431 -10.867 -89.938 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.199 -11.502 -91.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.988 -10.122 -89.177 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.105 -11.554 -88.597 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.317 -9.959 -88.588 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.348 -9.070 -91.364 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.667 -8.891 -90.808 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.016 -9.763 -92.319 1.00 0.00 H new ATOM 53 N PRO A 41 -4.821 -13.566 -91.190 1.00 0.00 N ATOM 54 CA PRO A 41 -3.475 -14.074 -90.958 1.00 0.00 C ATOM 55 C PRO A 41 -2.573 -13.810 -92.156 1.00 0.00 C ATOM 56 O PRO A 41 -1.373 -13.577 -92.003 1.00 0.00 O ATOM 57 CB PRO A 41 -3.705 -15.573 -90.743 1.00 0.00 C ATOM 58 CG PRO A 41 -5.050 -15.649 -90.106 1.00 0.00 C ATOM 59 CD PRO A 41 -5.863 -14.605 -90.822 1.00 0.00 C ATOM 0 HA PRO A 41 -2.972 -13.597 -90.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.680 -16.119 -91.686 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.936 -16.006 -90.103 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.488 -16.641 -90.220 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.995 -15.445 -89.037 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.358 -15.012 -91.704 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.642 -14.189 -90.182 1.00 0.00 H new ATOM 67 N THR A 42 -3.155 -13.849 -93.350 1.00 0.00 N ATOM 68 CA THR A 42 -2.401 -13.629 -94.578 1.00 0.00 C ATOM 69 C THR A 42 -2.410 -12.158 -94.975 1.00 0.00 C ATOM 70 O THR A 42 -1.465 -11.665 -95.589 1.00 0.00 O ATOM 71 CB THR A 42 -2.962 -14.479 -95.732 1.00 0.00 C ATOM 72 OG1 THR A 42 -4.303 -14.066 -96.027 1.00 0.00 O ATOM 73 CG2 THR A 42 -2.960 -15.954 -95.358 1.00 0.00 C ATOM 0 H THR A 42 -4.148 -14.031 -93.493 1.00 0.00 H new ATOM 0 HA THR A 42 -1.372 -13.933 -94.383 1.00 0.00 H new ATOM 0 HB THR A 42 -2.330 -14.336 -96.608 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.677 -13.594 -95.254 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.360 -16.540 -96.186 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.940 -16.274 -95.146 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.579 -16.106 -94.474 1.00 0.00 H new ATOM 81 N LEU A 43 -3.485 -11.462 -94.620 1.00 0.00 N ATOM 82 CA LEU A 43 -3.541 -10.012 -94.763 1.00 0.00 C ATOM 83 C LEU A 43 -2.366 -9.344 -94.059 1.00 0.00 C ATOM 84 O LEU A 43 -1.774 -8.398 -94.579 1.00 0.00 O ATOM 85 CB LEU A 43 -4.859 -9.473 -94.195 1.00 0.00 C ATOM 86 CG LEU A 43 -5.022 -7.947 -94.223 1.00 0.00 C ATOM 87 CD1 LEU A 43 -5.034 -7.465 -95.667 1.00 0.00 C ATOM 88 CD2 LEU A 43 -6.307 -7.561 -93.507 1.00 0.00 C ATOM 0 H LEU A 43 -4.330 -11.880 -94.231 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.484 -9.778 -95.826 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.683 -9.918 -94.753 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.954 -9.811 -93.163 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.186 -7.473 -93.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.150 -6.381 -95.688 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.096 -7.739 -96.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.865 -7.929 -96.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.423 -6.477 -93.527 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.156 -8.026 -94.008 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.264 -7.903 -92.473 1.00 0.00 H new ATOM 100 N ARG A 44 -2.035 -9.841 -92.872 1.00 0.00 N ATOM 101 CA ARG A 44 -0.975 -9.250 -92.063 1.00 0.00 C ATOM 102 C ARG A 44 0.348 -9.232 -92.816 1.00 0.00 C ATOM 103 O ARG A 44 1.019 -8.202 -92.889 1.00 0.00 O ATOM 104 CB ARG A 44 -0.805 -10.017 -90.760 1.00 0.00 C ATOM 105 CG ARG A 44 -1.938 -9.842 -89.762 1.00 0.00 C ATOM 106 CD ARG A 44 -1.867 -10.845 -88.668 1.00 0.00 C ATOM 107 NE ARG A 44 -0.762 -10.578 -87.761 1.00 0.00 N ATOM 108 CZ ARG A 44 -0.271 -11.465 -86.873 1.00 0.00 C ATOM 109 NH1 ARG A 44 -0.796 -12.667 -86.785 1.00 0.00 N ATOM 110 NH2 ARG A 44 0.739 -11.125 -86.090 1.00 0.00 N ATOM 0 H ARG A 44 -2.486 -10.652 -92.449 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.266 -8.223 -91.842 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.704 -11.078 -90.990 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.126 -9.703 -90.289 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.898 -8.838 -89.339 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.894 -9.933 -90.277 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.804 -10.842 -88.111 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.754 -11.841 -89.095 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.329 -9.655 -87.800 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.575 -12.929 -87.389 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.424 -13.338 -86.113 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.146 -10.192 -86.158 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.111 -11.796 -85.418 1.00 0.00 H new ATOM 124 N LYS A 45 0.721 -10.379 -93.373 1.00 0.00 N ATOM 125 CA LYS A 45 1.958 -10.493 -94.139 1.00 0.00 C ATOM 126 C LYS A 45 1.928 -9.596 -95.369 1.00 0.00 C ATOM 127 O LYS A 45 2.928 -8.969 -95.716 1.00 0.00 O ATOM 128 CB LYS A 45 2.199 -11.945 -94.553 1.00 0.00 C ATOM 129 CG LYS A 45 2.557 -12.876 -93.402 1.00 0.00 C ATOM 130 CD LYS A 45 2.755 -14.304 -93.887 1.00 0.00 C ATOM 131 CE LYS A 45 3.099 -15.239 -92.737 1.00 0.00 C ATOM 132 NZ LYS A 45 3.260 -16.647 -93.191 1.00 0.00 N ATOM 0 H LYS A 45 0.184 -11.244 -93.309 1.00 0.00 H new ATOM 0 HA LYS A 45 2.778 -10.167 -93.499 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.303 -12.323 -95.045 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.002 -11.972 -95.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.468 -12.525 -92.917 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.767 -12.851 -92.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.847 -14.651 -94.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.552 -14.330 -94.630 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.021 -14.904 -92.261 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.314 -15.189 -91.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.494 -17.250 -92.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.373 -16.976 -93.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.026 -16.700 -93.892 1.00 0.00 H new ATOM 146 N GLU A 46 0.774 -9.538 -96.026 1.00 0.00 N ATOM 147 CA GLU A 46 0.594 -8.671 -97.183 1.00 0.00 C ATOM 148 C GLU A 46 0.861 -7.214 -96.827 1.00 0.00 C ATOM 149 O GLU A 46 1.580 -6.512 -97.539 1.00 0.00 O ATOM 150 CB GLU A 46 -0.810 -8.828 -97.750 1.00 0.00 C ATOM 0 H GLU A 46 -0.051 -10.083 -95.776 1.00 0.00 H new ATOM 0 HA GLU A 46 1.316 -8.970 -97.942 1.00 0.00 H new ATOM 155 N LEU A 47 0.277 -6.763 -95.722 1.00 0.00 N ATOM 156 CA LEU A 47 0.460 -5.391 -95.264 1.00 0.00 C ATOM 157 C LEU A 47 1.924 -5.099 -94.969 1.00 0.00 C ATOM 158 O LEU A 47 2.407 -3.993 -95.210 1.00 0.00 O ATOM 159 CB LEU A 47 -0.383 -5.136 -94.007 1.00 0.00 C ATOM 160 CG LEU A 47 -1.902 -5.122 -94.216 1.00 0.00 C ATOM 161 CD1 LEU A 47 -2.600 -5.031 -92.865 1.00 0.00 C ATOM 162 CD2 LEU A 47 -2.281 -3.948 -95.107 1.00 0.00 C ATOM 0 H LEU A 47 -0.328 -7.329 -95.126 1.00 0.00 H new ATOM 0 HA LEU A 47 0.132 -4.725 -96.062 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.143 -5.902 -93.270 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.085 -4.178 -93.580 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.219 -6.042 -94.706 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.680 -5.021 -93.013 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.325 -5.892 -92.255 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.295 -4.115 -92.359 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.361 -3.938 -95.256 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.971 -3.017 -94.633 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.783 -4.047 -96.071 1.00 0.00 H new ATOM 174 N MET A 48 2.629 -6.097 -94.445 1.00 0.00 N ATOM 175 CA MET A 48 4.060 -5.976 -94.196 1.00 0.00 C ATOM 176 C MET A 48 4.827 -5.744 -95.491 1.00 0.00 C ATOM 177 O MET A 48 5.667 -4.848 -95.574 1.00 0.00 O ATOM 178 CB MET A 48 4.579 -7.225 -93.486 1.00 0.00 C ATOM 179 CG MET A 48 4.089 -7.385 -92.054 1.00 0.00 C ATOM 180 SD MET A 48 4.632 -8.932 -91.301 1.00 0.00 S ATOM 181 CE MET A 48 6.380 -8.610 -91.091 1.00 0.00 C ATOM 0 H MET A 48 2.231 -6.999 -94.185 1.00 0.00 H new ATOM 0 HA MET A 48 4.220 -5.111 -93.553 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.282 -8.103 -94.059 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.669 -7.200 -93.483 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.449 -6.548 -91.455 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.000 -7.341 -92.040 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.954 -9.292 -91.719 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.598 -7.581 -91.379 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.655 -8.761 -90.047 1.00 0.00 H new ATOM 191 N GLU A 49 4.532 -6.556 -96.501 1.00 0.00 N ATOM 192 CA GLU A 49 5.121 -6.379 -97.823 1.00 0.00 C ATOM 193 C GLU A 49 4.864 -4.975 -98.357 1.00 0.00 C ATOM 194 O GLU A 49 5.771 -4.322 -98.873 1.00 0.00 O ATOM 195 CB GLU A 49 4.562 -7.416 -98.799 1.00 0.00 C ATOM 196 CG GLU A 49 5.108 -7.306-100.216 1.00 0.00 C ATOM 197 CD GLU A 49 4.540 -8.342-101.145 1.00 0.00 C ATOM 198 OE1 GLU A 49 3.845 -9.212-100.679 1.00 0.00 O ATOM 199 OE2 GLU A 49 4.801 -8.264-102.322 1.00 0.00 O ATOM 0 H GLU A 49 3.888 -7.344 -96.429 1.00 0.00 H new ATOM 0 HA GLU A 49 6.198 -6.519 -97.729 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.780 -8.413 -98.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.477 -7.318 -98.832 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.887 -6.313-100.609 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.193 -7.405-100.190 1.00 0.00 H new ATOM 206 N VAL A 50 3.624 -4.517 -98.229 1.00 0.00 N ATOM 207 CA VAL A 50 3.249 -3.182 -98.681 1.00 0.00 C ATOM 208 C VAL A 50 4.161 -2.121 -98.079 1.00 0.00 C ATOM 209 O VAL A 50 4.683 -1.262 -98.789 1.00 0.00 O ATOM 210 CB VAL A 50 1.788 -2.879 -98.298 1.00 0.00 C ATOM 211 CG1 VAL A 50 1.472 -1.409 -98.531 1.00 0.00 C ATOM 212 CG2 VAL A 50 0.848 -3.765 -99.099 1.00 0.00 C ATOM 0 H VAL A 50 2.860 -5.051 -97.815 1.00 0.00 H new ATOM 0 HA VAL A 50 3.354 -3.157 -99.766 1.00 0.00 H new ATOM 0 HB VAL A 50 1.648 -3.092 -97.238 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.436 -1.211 -98.256 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.133 -0.794 -97.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.620 -1.167 -99.584 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.183 -3.545 -98.823 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.987 -3.575-100.163 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.065 -4.812 -98.886 1.00 0.00 H new ATOM 222 N LEU A 51 4.347 -2.185 -96.765 1.00 0.00 N ATOM 223 CA LEU A 51 5.130 -1.182 -96.053 1.00 0.00 C ATOM 224 C LEU A 51 6.581 -1.184 -96.517 1.00 0.00 C ATOM 225 O LEU A 51 7.215 -0.133 -96.610 1.00 0.00 O ATOM 226 CB LEU A 51 5.071 -1.438 -94.542 1.00 0.00 C ATOM 227 CG LEU A 51 3.704 -1.210 -93.882 1.00 0.00 C ATOM 228 CD1 LEU A 51 3.771 -1.620 -92.418 1.00 0.00 C ATOM 229 CD2 LEU A 51 3.310 0.253 -94.022 1.00 0.00 C ATOM 0 H LEU A 51 3.966 -2.922 -96.171 1.00 0.00 H new ATOM 0 HA LEU A 51 4.700 -0.205 -96.273 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.378 -2.467 -94.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.802 -0.793 -94.054 1.00 0.00 H new ATOM 0 HG LEU A 51 2.947 -1.819 -94.375 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.800 -1.458 -91.950 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.036 -2.675 -92.347 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.525 -1.021 -91.907 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.339 0.415 -93.553 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.057 0.879 -93.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.251 0.514 -95.079 1.00 0.00 H new ATOM 241 N SER A 52 7.102 -2.372 -96.807 1.00 0.00 N ATOM 242 CA SER A 52 8.502 -2.521 -97.190 1.00 0.00 C ATOM 243 C SER A 52 8.785 -1.835 -98.520 1.00 0.00 C ATOM 244 O SER A 52 9.940 -1.595 -98.871 1.00 0.00 O ATOM 245 CB SER A 52 8.862 -3.991 -97.282 1.00 0.00 C ATOM 246 OG SER A 52 8.275 -4.583 -98.407 1.00 0.00 O ATOM 0 H SER A 52 6.576 -3.246 -96.784 1.00 0.00 H new ATOM 0 HA SER A 52 9.114 -2.045 -96.424 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.945 -4.101 -97.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.531 -4.507 -96.381 1.00 0.00 H new ATOM 0 HG SER A 52 7.301 -4.588 -98.303 1.00 0.00 H new ATOM 252 N LYS A 53 7.725 -1.521 -99.256 1.00 0.00 N ATOM 253 CA LYS A 53 7.855 -0.823-100.529 1.00 0.00 C ATOM 254 C LYS A 53 7.699 0.682-100.351 1.00 0.00 C ATOM 255 O LYS A 53 8.385 1.468-101.005 1.00 0.00 O ATOM 256 CB LYS A 53 6.826 -1.343-101.534 1.00 0.00 C ATOM 257 CG LYS A 53 7.031 -2.793-101.951 1.00 0.00 C ATOM 258 CD LYS A 53 5.930 -3.259-102.892 1.00 0.00 C ATOM 259 CE LYS A 53 6.100 -4.725-103.263 1.00 0.00 C ATOM 260 NZ LYS A 53 4.994 -5.211-104.130 1.00 0.00 N ATOM 0 H LYS A 53 6.764 -1.739 -98.992 1.00 0.00 H new ATOM 0 HA LYS A 53 8.856 -1.019-100.915 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.830 -1.239-101.103 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.855 -0.714-102.424 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.999 -2.899-102.440 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.049 -3.429-101.066 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.959 -3.112-102.419 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.940 -2.650-103.796 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.051 -4.861-103.778 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.140 -5.327-102.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.148 -6.214-104.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.089 -5.105-103.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.971 -4.654-105.008 1.00 0.00 H new ATOM 274 N TYR A 54 6.794 1.077 -99.463 1.00 0.00 N ATOM 275 CA TYR A 54 6.507 2.488 -99.237 1.00 0.00 C ATOM 276 C TYR A 54 7.607 3.150 -98.417 1.00 0.00 C ATOM 277 O TYR A 54 8.246 4.099 -98.869 1.00 0.00 O ATOM 278 CB TYR A 54 5.154 2.654 -98.542 1.00 0.00 C ATOM 279 CG TYR A 54 3.977 2.665 -99.491 1.00 0.00 C ATOM 280 CD1 TYR A 54 3.129 1.568 -99.558 1.00 0.00 C ATOM 281 CD2 TYR A 54 3.745 3.770-100.296 1.00 0.00 C ATOM 282 CE1 TYR A 54 2.054 1.578-100.425 1.00 0.00 C ATOM 283 CE2 TYR A 54 2.669 3.779-101.164 1.00 0.00 C ATOM 284 CZ TYR A 54 1.826 2.689-101.229 1.00 0.00 C ATOM 285 OH TYR A 54 0.756 2.699-102.094 1.00 0.00 O ATOM 0 H TYR A 54 6.246 0.438 -98.887 1.00 0.00 H new ATOM 0 HA TYR A 54 6.467 2.981-100.208 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.023 1.844 -97.825 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.160 3.584 -97.974 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.310 0.707 -98.932 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.405 4.623-100.245 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.393 0.726-100.478 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.488 4.639-101.791 1.00 0.00 H new ATOM 0 HH TYR A 54 0.738 3.549-102.582 1.00 0.00 H new ATOM 295 N VAL A 55 7.823 2.643 -97.208 1.00 0.00 N ATOM 296 CA VAL A 55 8.709 3.295 -96.251 1.00 0.00 C ATOM 297 C VAL A 55 10.051 2.579 -96.166 1.00 0.00 C ATOM 298 O VAL A 55 10.875 2.887 -95.305 1.00 0.00 O ATOM 299 CB VAL A 55 8.057 3.326 -94.855 1.00 0.00 C ATOM 300 CG1 VAL A 55 6.777 4.147 -94.883 1.00 0.00 C ATOM 301 CG2 VAL A 55 7.777 1.907 -94.383 1.00 0.00 C ATOM 0 H VAL A 55 7.396 1.782 -96.867 1.00 0.00 H new ATOM 0 HA VAL A 55 8.879 4.314 -96.598 1.00 0.00 H new ATOM 0 HB VAL A 55 8.745 3.798 -94.154 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.330 4.158 -93.889 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.006 5.168 -95.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.076 3.704 -95.591 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.316 1.936 -93.396 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.102 1.417 -95.084 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.712 1.350 -94.330 1.00 0.00 H new ATOM 311 N ASN A 56 10.264 1.623 -97.063 1.00 0.00 N ATOM 312 CA ASN A 56 11.564 0.979 -97.203 1.00 0.00 C ATOM 313 C ASN A 56 12.040 0.405 -95.875 1.00 0.00 C ATOM 314 O ASN A 56 13.237 0.209 -95.666 1.00 0.00 O ATOM 315 CB ASN A 56 12.585 1.954 -97.760 1.00 0.00 C ATOM 316 CG ASN A 56 12.265 2.385 -99.165 1.00 0.00 C ATOM 317 OD1 ASN A 56 11.948 1.556-100.025 1.00 0.00 O ATOM 318 ND2 ASN A 56 12.343 3.668 -99.413 1.00 0.00 N ATOM 0 H ASN A 56 9.551 1.276 -97.705 1.00 0.00 H new ATOM 0 HA ASN A 56 11.455 0.152 -97.905 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.632 2.832 -97.116 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.572 1.491 -97.741 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.138 4.020-100.348 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.609 4.316 -98.671 1.00 0.00 H new ATOM 325 N VAL A 57 11.096 0.136 -94.980 1.00 0.00 N ATOM 326 CA VAL A 57 11.388 -0.603 -93.757 1.00 0.00 C ATOM 327 C VAL A 57 11.318 -2.107 -93.993 1.00 0.00 C ATOM 328 O VAL A 57 10.547 -2.578 -94.827 1.00 0.00 O ATOM 329 CB VAL A 57 10.394 -0.214 -92.647 1.00 0.00 C ATOM 330 CG1 VAL A 57 10.582 -1.103 -91.427 1.00 0.00 C ATOM 331 CG2 VAL A 57 10.575 1.251 -92.280 1.00 0.00 C ATOM 0 H VAL A 57 10.121 0.419 -95.078 1.00 0.00 H new ATOM 0 HA VAL A 57 12.401 -0.345 -93.447 1.00 0.00 H new ATOM 0 HB VAL A 57 9.378 -0.358 -93.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.871 -0.814 -90.653 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.412 -2.143 -91.705 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.598 -0.990 -91.048 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.869 1.519 -91.494 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.592 1.414 -91.924 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.394 1.871 -93.158 1.00 0.00 H new ATOM 341 N SER A 58 12.129 -2.855 -93.252 1.00 0.00 N ATOM 342 CA SER A 58 12.380 -4.255 -93.568 1.00 0.00 C ATOM 343 C SER A 58 11.444 -5.172 -92.789 1.00 0.00 C ATOM 344 O SER A 58 10.975 -4.821 -91.706 1.00 0.00 O ATOM 345 CB SER A 58 13.821 -4.611 -93.259 1.00 0.00 C ATOM 346 OG SER A 58 14.037 -5.989 -93.387 1.00 0.00 O ATOM 0 H SER A 58 12.624 -2.514 -92.428 1.00 0.00 H new ATOM 0 HA SER A 58 12.192 -4.397 -94.632 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.485 -4.071 -93.934 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.069 -4.293 -92.246 1.00 0.00 H new ATOM 0 HG SER A 58 14.974 -6.193 -93.184 1.00 0.00 H new ATOM 352 N LEU A 59 11.174 -6.346 -93.348 1.00 0.00 N ATOM 353 CA LEU A 59 10.281 -7.309 -92.715 1.00 0.00 C ATOM 354 C LEU A 59 10.770 -7.681 -91.321 1.00 0.00 C ATOM 355 O LEU A 59 9.977 -8.031 -90.447 1.00 0.00 O ATOM 356 CB LEU A 59 10.165 -8.573 -93.577 1.00 0.00 C ATOM 357 CG LEU A 59 9.472 -8.390 -94.934 1.00 0.00 C ATOM 358 CD1 LEU A 59 9.548 -9.692 -95.722 1.00 0.00 C ATOM 359 CD2 LEU A 59 8.027 -7.969 -94.713 1.00 0.00 C ATOM 0 H LEU A 59 11.561 -6.654 -94.240 1.00 0.00 H new ATOM 0 HA LEU A 59 9.300 -6.843 -92.622 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.167 -8.965 -93.751 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.621 -9.329 -93.010 1.00 0.00 H new ATOM 0 HG LEU A 59 9.974 -7.610 -95.507 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.056 -9.563 -96.686 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.592 -9.961 -95.881 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.050 -10.485 -95.164 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.534 -7.839 -95.677 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.508 -8.738 -94.141 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.002 -7.028 -94.163 1.00 0.00 H new ATOM 371 N ASP A 60 12.081 -7.605 -91.120 1.00 0.00 N ATOM 372 CA ASP A 60 12.670 -7.843 -89.808 1.00 0.00 C ATOM 373 C ASP A 60 12.412 -6.674 -88.867 1.00 0.00 C ATOM 374 O ASP A 60 12.385 -6.839 -87.648 1.00 0.00 O ATOM 375 CB ASP A 60 14.177 -8.083 -89.932 1.00 0.00 C ATOM 376 CG ASP A 60 14.513 -9.415 -90.589 1.00 0.00 C ATOM 377 OD1 ASP A 60 13.653 -10.262 -90.643 1.00 0.00 O ATOM 378 OD2 ASP A 60 15.626 -9.572 -91.030 1.00 0.00 O ATOM 0 H ASP A 60 12.757 -7.380 -91.850 1.00 0.00 H new ATOM 0 HA ASP A 60 12.198 -8.733 -89.391 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.622 -7.275 -90.513 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.628 -8.049 -88.940 1.00 0.00 H new ATOM 383 N ASN A 61 12.220 -5.490 -89.441 1.00 0.00 N ATOM 384 CA ASN A 61 12.045 -4.276 -88.653 1.00 0.00 C ATOM 385 C ASN A 61 10.582 -3.857 -88.606 1.00 0.00 C ATOM 386 O ASN A 61 10.250 -2.779 -88.111 1.00 0.00 O ATOM 387 CB ASN A 61 12.905 -3.153 -89.204 1.00 0.00 C ATOM 388 CG ASN A 61 14.375 -3.404 -89.014 1.00 0.00 C ATOM 389 OD1 ASN A 61 14.794 -3.978 -88.002 1.00 0.00 O ATOM 390 ND2 ASN A 61 15.168 -2.985 -89.967 1.00 0.00 N ATOM 0 H ASN A 61 12.182 -5.346 -90.450 1.00 0.00 H new ATOM 0 HA ASN A 61 12.366 -4.489 -87.633 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.696 -3.028 -90.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.633 -2.218 -88.714 1.00 0.00 H new ATOM 0 HD21 ASN A 61 16.175 -3.128 -89.892 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.779 -2.516 -90.785 1.00 0.00 H new ATOM 397 N ILE A 62 9.709 -4.715 -89.123 1.00 0.00 N ATOM 398 CA ILE A 62 8.271 -4.487 -89.042 1.00 0.00 C ATOM 399 C ILE A 62 7.628 -5.390 -87.997 1.00 0.00 C ATOM 400 O ILE A 62 7.935 -6.580 -87.917 1.00 0.00 O ATOM 401 CB ILE A 62 7.600 -4.722 -90.407 1.00 0.00 C ATOM 402 CG1 ILE A 62 8.074 -3.679 -91.422 1.00 0.00 C ATOM 403 CG2 ILE A 62 6.085 -4.686 -90.269 1.00 0.00 C ATOM 404 CD1 ILE A 62 7.701 -4.001 -92.851 1.00 0.00 C ATOM 0 H ILE A 62 9.973 -5.576 -89.603 1.00 0.00 H new ATOM 0 HA ILE A 62 8.123 -3.448 -88.747 1.00 0.00 H new ATOM 0 HB ILE A 62 7.888 -5.709 -90.769 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.652 -2.710 -91.156 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.158 -3.585 -91.352 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.627 -4.854 -91.244 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.764 -5.465 -89.578 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.778 -3.713 -89.886 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.072 -3.216 -93.510 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.145 -4.954 -93.137 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.616 -4.066 -92.938 1.00 0.00 H new ATOM 416 N ARG A 63 6.735 -4.819 -87.197 1.00 0.00 N ATOM 417 CA ARG A 63 5.946 -5.595 -86.249 1.00 0.00 C ATOM 418 C ARG A 63 4.454 -5.428 -86.507 1.00 0.00 C ATOM 419 O ARG A 63 3.995 -4.348 -86.876 1.00 0.00 O ATOM 420 CB ARG A 63 6.261 -5.178 -84.820 1.00 0.00 C ATOM 421 CG ARG A 63 7.699 -5.416 -84.387 1.00 0.00 C ATOM 422 CD ARG A 63 8.003 -6.866 -84.267 1.00 0.00 C ATOM 423 NE ARG A 63 9.375 -7.099 -83.846 1.00 0.00 N ATOM 424 CZ ARG A 63 10.428 -7.190 -84.682 1.00 0.00 C ATOM 425 NH1 ARG A 63 10.249 -7.066 -85.979 1.00 0.00 N ATOM 426 NH2 ARG A 63 11.639 -7.403 -84.199 1.00 0.00 N ATOM 0 H ARG A 63 6.539 -3.818 -87.187 1.00 0.00 H new ATOM 0 HA ARG A 63 6.210 -6.644 -86.385 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.034 -4.118 -84.708 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.599 -5.719 -84.144 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.377 -4.960 -85.109 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.877 -4.926 -83.430 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.321 -7.322 -83.550 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.830 -7.354 -85.226 1.00 0.00 H new ATOM 0 HE ARG A 63 9.553 -7.201 -82.847 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.314 -6.901 -86.351 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.045 -7.135 -86.613 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.777 -7.499 -83.193 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.436 -7.472 -84.832 1.00 0.00 H new ATOM 440 N ILE A 64 3.700 -6.505 -86.310 1.00 0.00 N ATOM 441 CA ILE A 64 2.264 -6.490 -86.556 1.00 0.00 C ATOM 442 C ILE A 64 1.544 -7.512 -85.685 1.00 0.00 C ATOM 443 O ILE A 64 1.922 -8.684 -85.646 1.00 0.00 O ATOM 444 CB ILE A 64 1.957 -6.772 -88.038 1.00 0.00 C ATOM 445 CG1 ILE A 64 0.457 -6.627 -88.310 1.00 0.00 C ATOM 446 CG2 ILE A 64 2.441 -8.160 -88.427 1.00 0.00 C ATOM 447 CD1 ILE A 64 0.108 -6.554 -89.779 1.00 0.00 C ATOM 0 H ILE A 64 4.061 -7.400 -85.980 1.00 0.00 H new ATOM 0 HA ILE A 64 1.903 -5.494 -86.300 1.00 0.00 H new ATOM 0 HB ILE A 64 2.489 -6.041 -88.647 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.067 -7.472 -87.863 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.093 -5.727 -87.814 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.216 -8.343 -89.478 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.517 -8.227 -88.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.937 -8.906 -87.813 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.971 -6.452 -89.892 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.603 -5.693 -90.228 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.441 -7.464 -90.278 1.00 0.00 H new ATOM 459 N SER A 65 0.508 -7.062 -84.987 1.00 0.00 N ATOM 460 CA SER A 65 -0.208 -7.913 -84.043 1.00 0.00 C ATOM 461 C SER A 65 -1.707 -7.648 -84.089 1.00 0.00 C ATOM 462 O SER A 65 -2.148 -6.502 -84.002 1.00 0.00 O ATOM 463 CB SER A 65 0.312 -7.685 -82.637 1.00 0.00 C ATOM 464 OG SER A 65 -0.367 -8.490 -81.714 1.00 0.00 O ATOM 0 H SER A 65 0.144 -6.112 -85.057 1.00 0.00 H new ATOM 0 HA SER A 65 -0.036 -8.951 -84.329 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.379 -7.904 -82.600 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.193 -6.636 -82.367 1.00 0.00 H new ATOM 0 HG SER A 65 -1.045 -7.955 -81.250 1.00 0.00 H new ATOM 470 N GLN A 66 -2.488 -8.714 -84.227 1.00 0.00 N ATOM 471 CA GLN A 66 -3.942 -8.604 -84.230 1.00 0.00 C ATOM 472 C GLN A 66 -4.496 -8.592 -82.812 1.00 0.00 C ATOM 473 O GLN A 66 -4.317 -9.548 -82.056 1.00 0.00 O ATOM 474 CB GLN A 66 -4.564 -9.756 -85.025 1.00 0.00 C ATOM 475 CG GLN A 66 -6.075 -9.672 -85.162 1.00 0.00 C ATOM 476 CD GLN A 66 -6.642 -10.794 -86.011 1.00 0.00 C ATOM 477 OE1 GLN A 66 -5.909 -11.481 -86.728 1.00 0.00 O ATOM 478 NE2 GLN A 66 -7.954 -10.986 -85.937 1.00 0.00 N ATOM 0 H GLN A 66 -2.138 -9.665 -84.338 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.204 -7.660 -84.707 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.121 -9.777 -86.020 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.306 -10.698 -84.541 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.529 -9.704 -84.172 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.344 -8.713 -85.605 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.523 -10.395 -85.331 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.393 -11.725 -86.486 1.00 0.00 H new ATOM 487 N GLU A 67 -5.170 -7.504 -82.455 1.00 0.00 N ATOM 488 CA GLU A 67 -5.723 -7.351 -81.115 1.00 0.00 C ATOM 489 C GLU A 67 -7.245 -7.283 -81.151 1.00 0.00 C ATOM 490 O GLU A 67 -7.853 -7.353 -82.219 1.00 0.00 O ATOM 491 CB GLU A 67 -5.163 -6.093 -80.447 1.00 0.00 C ATOM 492 CG GLU A 67 -3.643 -6.022 -80.416 1.00 0.00 C ATOM 493 CD GLU A 67 -3.027 -7.061 -79.522 1.00 0.00 C ATOM 494 OE1 GLU A 67 -3.677 -7.481 -78.594 1.00 0.00 O ATOM 495 OE2 GLU A 67 -1.904 -7.437 -79.767 1.00 0.00 O ATOM 0 H GLU A 67 -5.346 -6.714 -83.076 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.432 -8.226 -80.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.545 -5.217 -80.971 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.538 -6.041 -79.425 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.258 -6.146 -81.428 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.337 -5.032 -80.078 1.00 0.00 H new ATOM 502 N LYS A 68 -7.854 -7.147 -79.978 1.00 0.00 N ATOM 503 CA LYS A 68 -9.304 -7.038 -79.876 1.00 0.00 C ATOM 504 C LYS A 68 -9.709 -5.818 -79.059 1.00 0.00 C ATOM 505 O LYS A 68 -9.158 -5.566 -77.988 1.00 0.00 O ATOM 506 CB LYS A 68 -9.895 -8.306 -79.257 1.00 0.00 C ATOM 507 CG LYS A 68 -9.793 -9.544 -80.138 1.00 0.00 C ATOM 508 CD LYS A 68 -10.586 -10.704 -79.556 1.00 0.00 C ATOM 509 CE LYS A 68 -10.641 -11.878 -80.522 1.00 0.00 C ATOM 510 NZ LYS A 68 -11.480 -11.579 -81.714 1.00 0.00 N ATOM 0 H LYS A 68 -7.365 -7.110 -79.084 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.701 -6.919 -80.884 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.388 -8.505 -78.313 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.945 -8.127 -79.024 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.163 -9.313 -81.137 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.747 -9.832 -80.244 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.131 -11.023 -78.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.599 -10.374 -79.323 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.631 -12.131 -80.844 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.040 -12.752 -80.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.533 -12.421 -82.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.437 -11.313 -81.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.057 -10.793 -82.248 1.00 0.00 H new ATOM 524 N GLN A 69 -10.676 -5.063 -79.571 1.00 0.00 N ATOM 525 CA GLN A 69 -11.287 -3.982 -78.809 1.00 0.00 C ATOM 526 C GLN A 69 -12.790 -3.917 -79.053 1.00 0.00 C ATOM 527 O GLN A 69 -13.237 -3.751 -80.188 1.00 0.00 O ATOM 528 CB GLN A 69 -10.641 -2.641 -79.168 1.00 0.00 C ATOM 529 CG GLN A 69 -11.243 -1.446 -78.447 1.00 0.00 C ATOM 530 CD GLN A 69 -10.968 -1.473 -76.955 1.00 0.00 C ATOM 531 OE1 GLN A 69 -9.812 -1.511 -76.523 1.00 0.00 O ATOM 532 NE2 GLN A 69 -12.031 -1.452 -76.158 1.00 0.00 N ATOM 0 H GLN A 69 -11.053 -5.181 -80.511 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.120 -4.185 -77.751 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.576 -2.691 -78.939 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.729 -2.484 -80.243 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.839 -0.527 -78.872 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.320 -1.428 -78.615 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.968 -1.421 -76.559 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.910 -1.467 -75.145 1.00 0.00 H new ATOM 541 N ASP A 70 -13.564 -4.048 -77.982 1.00 0.00 N ATOM 542 CA ASP A 70 -15.012 -4.182 -78.095 1.00 0.00 C ATOM 543 C ASP A 70 -15.390 -5.415 -78.906 1.00 0.00 C ATOM 544 O ASP A 70 -14.845 -6.499 -78.697 1.00 0.00 O ATOM 545 CB ASP A 70 -15.617 -2.933 -78.741 1.00 0.00 C ATOM 546 CG ASP A 70 -15.266 -1.652 -77.996 1.00 0.00 C ATOM 547 OD1 ASP A 70 -14.863 -1.739 -76.861 1.00 0.00 O ATOM 548 OD2 ASP A 70 -15.406 -0.598 -78.570 1.00 0.00 O ATOM 0 H ASP A 70 -13.213 -4.064 -77.024 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.413 -4.295 -77.088 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.267 -2.856 -79.770 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.701 -3.039 -78.780 1.00 0.00 H new ATOM 553 N GLY A 71 -16.325 -5.242 -79.834 1.00 0.00 N ATOM 554 CA GLY A 71 -16.799 -6.347 -80.659 1.00 0.00 C ATOM 555 C GLY A 71 -16.105 -6.357 -82.016 1.00 0.00 C ATOM 556 O GLY A 71 -16.571 -7.001 -82.956 1.00 0.00 O ATOM 0 H GLY A 71 -16.770 -4.346 -80.034 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.616 -7.292 -80.147 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.877 -6.264 -80.799 1.00 0.00 H new ATOM 560 N MET A 72 -14.991 -5.641 -82.110 1.00 0.00 N ATOM 561 CA MET A 72 -14.175 -5.648 -83.319 1.00 0.00 C ATOM 562 C MET A 72 -12.716 -5.944 -82.998 1.00 0.00 C ATOM 563 O MET A 72 -12.285 -5.816 -81.852 1.00 0.00 O ATOM 564 CB MET A 72 -14.301 -4.311 -84.048 1.00 0.00 C ATOM 565 CG MET A 72 -15.721 -3.946 -84.454 1.00 0.00 C ATOM 566 SD MET A 72 -15.812 -2.368 -85.323 1.00 0.00 S ATOM 567 CE MET A 72 -15.579 -1.221 -83.968 1.00 0.00 C ATOM 0 H MET A 72 -14.631 -5.047 -81.363 1.00 0.00 H new ATOM 0 HA MET A 72 -14.541 -6.442 -83.970 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.906 -3.523 -83.407 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.677 -4.338 -84.941 1.00 0.00 H new ATOM 0 HG2 MET A 72 -16.125 -4.732 -85.092 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.349 -3.903 -83.564 1.00 0.00 H new ATOM 0 HE1 MET A 72 -15.768 -0.205 -84.315 1.00 0.00 H new ATOM 0 HE2 MET A 72 -16.271 -1.464 -83.162 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.555 -1.294 -83.601 1.00 0.00 H new ATOM 577 N ASP A 73 -11.960 -6.340 -84.016 1.00 0.00 N ATOM 578 CA ASP A 73 -10.524 -6.545 -83.869 1.00 0.00 C ATOM 579 C ASP A 73 -9.746 -5.288 -84.237 1.00 0.00 C ATOM 580 O ASP A 73 -10.153 -4.531 -85.119 1.00 0.00 O ATOM 581 CB ASP A 73 -10.057 -7.714 -84.740 1.00 0.00 C ATOM 582 CG ASP A 73 -10.564 -9.061 -84.244 1.00 0.00 C ATOM 583 OD1 ASP A 73 -11.129 -9.106 -83.177 1.00 0.00 O ATOM 584 OD2 ASP A 73 -10.380 -10.034 -84.937 1.00 0.00 O ATOM 0 H ASP A 73 -12.318 -6.526 -84.953 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.330 -6.777 -82.822 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.398 -7.557 -85.763 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.967 -7.729 -84.766 1.00 0.00 H new ATOM 589 N VAL A 74 -8.627 -5.070 -83.556 1.00 0.00 N ATOM 590 CA VAL A 74 -7.738 -3.960 -83.879 1.00 0.00 C ATOM 591 C VAL A 74 -6.359 -4.460 -84.291 1.00 0.00 C ATOM 592 O VAL A 74 -5.583 -4.929 -83.457 1.00 0.00 O ATOM 593 CB VAL A 74 -7.598 -3.018 -82.669 1.00 0.00 C ATOM 594 CG1 VAL A 74 -6.658 -1.868 -82.995 1.00 0.00 C ATOM 595 CG2 VAL A 74 -8.967 -2.495 -82.259 1.00 0.00 C ATOM 0 H VAL A 74 -8.313 -5.648 -82.776 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.177 -3.417 -84.716 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.173 -3.576 -81.834 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.571 -1.212 -82.129 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.675 -2.263 -83.251 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.053 -1.303 -83.839 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.861 -1.829 -81.402 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.412 -1.948 -83.091 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.611 -3.332 -81.990 1.00 0.00 H new ATOM 605 N LEU A 75 -6.059 -4.359 -85.581 1.00 0.00 N ATOM 606 CA LEU A 75 -4.769 -4.791 -86.104 1.00 0.00 C ATOM 607 C LEU A 75 -3.736 -3.676 -86.016 1.00 0.00 C ATOM 608 O LEU A 75 -3.924 -2.596 -86.579 1.00 0.00 O ATOM 609 CB LEU A 75 -4.915 -5.248 -87.561 1.00 0.00 C ATOM 610 CG LEU A 75 -3.632 -5.760 -88.229 1.00 0.00 C ATOM 611 CD1 LEU A 75 -3.137 -6.999 -87.495 1.00 0.00 C ATOM 612 CD2 LEU A 75 -3.909 -6.067 -89.693 1.00 0.00 C ATOM 0 H LEU A 75 -6.693 -3.981 -86.285 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.424 -5.626 -85.495 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.664 -6.039 -87.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.300 -4.414 -88.147 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.856 -4.996 -88.179 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.226 -7.363 -87.969 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.929 -6.747 -86.455 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.901 -7.775 -87.535 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.997 -6.431 -90.167 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.684 -6.830 -89.764 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.244 -5.161 -90.198 1.00 0.00 H new ATOM 624 N GLU A 76 -2.645 -3.940 -85.306 1.00 0.00 N ATOM 625 CA GLU A 76 -1.655 -2.912 -85.010 1.00 0.00 C ATOM 626 C GLU A 76 -0.390 -3.112 -85.835 1.00 0.00 C ATOM 627 O GLU A 76 0.176 -4.205 -85.866 1.00 0.00 O ATOM 628 CB GLU A 76 -1.309 -2.917 -83.520 1.00 0.00 C ATOM 629 CG GLU A 76 -0.245 -1.906 -83.117 1.00 0.00 C ATOM 630 CD GLU A 76 0.135 -2.002 -81.666 1.00 0.00 C ATOM 631 OE1 GLU A 76 -0.740 -1.933 -80.837 1.00 0.00 O ATOM 632 OE2 GLU A 76 1.301 -2.146 -81.386 1.00 0.00 O ATOM 0 H GLU A 76 -2.424 -4.860 -84.924 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.088 -1.947 -85.274 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.216 -2.719 -82.948 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.969 -3.914 -83.242 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.643 -2.057 -83.730 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.609 -0.900 -83.326 1.00 0.00 H new ATOM 639 N LEU A 77 0.049 -2.050 -86.502 1.00 0.00 N ATOM 640 CA LEU A 77 1.275 -2.094 -87.290 1.00 0.00 C ATOM 641 C LEU A 77 2.293 -1.082 -86.781 1.00 0.00 C ATOM 642 O LEU A 77 1.968 0.084 -86.561 1.00 0.00 O ATOM 643 CB LEU A 77 0.966 -1.819 -88.767 1.00 0.00 C ATOM 644 CG LEU A 77 0.056 -2.842 -89.458 1.00 0.00 C ATOM 645 CD1 LEU A 77 -1.401 -2.472 -89.216 1.00 0.00 C ATOM 646 CD2 LEU A 77 0.370 -2.879 -90.946 1.00 0.00 C ATOM 0 H LEU A 77 -0.426 -1.148 -86.513 1.00 0.00 H new ATOM 0 HA LEU A 77 1.702 -3.092 -87.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.502 -0.836 -88.845 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.908 -1.771 -89.313 1.00 0.00 H new ATOM 0 HG LEU A 77 0.232 -3.835 -89.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.047 -3.199 -89.707 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.603 -2.472 -88.145 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.597 -1.480 -89.622 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.277 -3.606 -91.436 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.201 -1.893 -91.378 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.412 -3.164 -91.091 1.00 0.00 H new ATOM 658 N ASN A 78 3.529 -1.535 -86.596 1.00 0.00 N ATOM 659 CA ASN A 78 4.588 -0.680 -86.075 1.00 0.00 C ATOM 660 C ASN A 78 5.712 -0.513 -87.091 1.00 0.00 C ATOM 661 O ASN A 78 6.328 -1.491 -87.515 1.00 0.00 O ATOM 662 CB ASN A 78 5.127 -1.233 -84.769 1.00 0.00 C ATOM 663 CG ASN A 78 4.119 -1.171 -83.655 1.00 0.00 C ATOM 664 OD1 ASN A 78 3.800 -0.088 -83.150 1.00 0.00 O ATOM 665 ND2 ASN A 78 3.611 -2.311 -83.263 1.00 0.00 N ATOM 0 H ASN A 78 3.821 -2.491 -86.800 1.00 0.00 H new ATOM 0 HA ASN A 78 4.160 0.304 -85.884 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.436 -2.268 -84.917 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.016 -0.673 -84.481 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.922 -2.331 -82.511 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.904 -3.180 -83.709 1.00 0.00 H new ATOM 672 N ILE A 79 5.974 0.730 -87.478 1.00 0.00 N ATOM 673 CA ILE A 79 6.975 1.021 -88.497 1.00 0.00 C ATOM 674 C ILE A 79 8.219 1.649 -87.882 1.00 0.00 C ATOM 675 O ILE A 79 8.132 2.639 -87.155 1.00 0.00 O ATOM 676 CB ILE A 79 6.405 1.959 -89.576 1.00 0.00 C ATOM 677 CG1 ILE A 79 5.188 1.320 -90.250 1.00 0.00 C ATOM 678 CG2 ILE A 79 7.472 2.296 -90.606 1.00 0.00 C ATOM 679 CD1 ILE A 79 4.427 2.261 -91.156 1.00 0.00 C ATOM 0 H ILE A 79 5.506 1.554 -87.101 1.00 0.00 H new ATOM 0 HA ILE A 79 7.252 0.074 -88.960 1.00 0.00 H new ATOM 0 HB ILE A 79 6.087 2.885 -89.097 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.517 0.458 -90.831 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.513 0.946 -89.480 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.052 2.960 -91.361 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.310 2.790 -90.114 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.821 1.379 -91.082 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.579 1.736 -91.597 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.066 3.111 -90.577 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.086 2.615 -91.949 1.00 0.00 H new ATOM 691 N THR A 80 9.378 1.069 -88.178 1.00 0.00 N ATOM 692 CA THR A 80 10.642 1.573 -87.658 1.00 0.00 C ATOM 693 C THR A 80 11.110 2.797 -88.437 1.00 0.00 C ATOM 694 O THR A 80 11.464 2.698 -89.612 1.00 0.00 O ATOM 695 CB THR A 80 11.732 0.486 -87.700 1.00 0.00 C ATOM 696 OG1 THR A 80 11.330 -0.628 -86.891 1.00 0.00 O ATOM 697 CG2 THR A 80 13.053 1.035 -87.181 1.00 0.00 C ATOM 0 H THR A 80 9.467 0.248 -88.777 1.00 0.00 H new ATOM 0 HA THR A 80 10.472 1.861 -86.621 1.00 0.00 H new ATOM 0 HB THR A 80 11.865 0.165 -88.733 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.801 -1.251 -87.432 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.812 0.253 -87.218 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.367 1.875 -87.801 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.928 1.371 -86.152 1.00 0.00 H new ATOM 705 N LEU A 81 11.109 3.948 -87.776 1.00 0.00 N ATOM 706 CA LEU A 81 11.498 5.199 -88.416 1.00 0.00 C ATOM 707 C LEU A 81 12.607 5.895 -87.637 1.00 0.00 C ATOM 708 O LEU A 81 12.346 6.597 -86.660 1.00 0.00 O ATOM 709 CB LEU A 81 10.286 6.132 -88.535 1.00 0.00 C ATOM 710 CG LEU A 81 9.095 5.580 -89.329 1.00 0.00 C ATOM 711 CD1 LEU A 81 7.895 6.499 -89.152 1.00 0.00 C ATOM 712 CD2 LEU A 81 9.478 5.455 -90.796 1.00 0.00 C ATOM 0 H LEU A 81 10.843 4.041 -86.796 1.00 0.00 H new ATOM 0 HA LEU A 81 11.873 4.963 -89.412 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.944 6.383 -87.531 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.611 7.061 -89.003 1.00 0.00 H new ATOM 0 HG LEU A 81 8.826 4.591 -88.958 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.049 6.106 -89.716 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.632 6.554 -88.096 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.143 7.496 -89.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.632 5.063 -91.361 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.751 6.436 -91.186 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.326 4.777 -90.894 1.00 0.00 H new TER 724 LEU A 81 ATOM 725 N ASP B 38 9.325 16.799 -91.282 1.00 0.00 N ATOM 726 CA ASP B 38 8.500 17.436 -92.302 1.00 0.00 C ATOM 727 C ASP B 38 7.851 16.401 -93.212 1.00 0.00 C ATOM 728 O ASP B 38 6.725 16.587 -93.674 1.00 0.00 O ATOM 729 CB ASP B 38 9.339 18.406 -93.140 1.00 0.00 C ATOM 730 CG ASP B 38 9.876 19.576 -92.329 1.00 0.00 C ATOM 731 OD1 ASP B 38 9.097 20.235 -91.683 1.00 0.00 O ATOM 732 OD2 ASP B 38 11.063 19.801 -92.362 1.00 0.00 O ATOM 0 HA ASP B 38 7.712 17.990 -91.792 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.174 17.865 -93.585 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.732 18.788 -93.961 1.00 0.00 H new ATOM 737 N TYR B 39 8.566 15.311 -93.465 1.00 0.00 N ATOM 738 CA TYR B 39 8.067 14.251 -94.331 1.00 0.00 C ATOM 739 C TYR B 39 6.974 13.444 -93.641 1.00 0.00 C ATOM 740 O TYR B 39 5.900 13.229 -94.203 1.00 0.00 O ATOM 741 CB TYR B 39 9.210 13.330 -94.765 1.00 0.00 C ATOM 742 CG TYR B 39 8.766 12.169 -95.626 1.00 0.00 C ATOM 743 CD1 TYR B 39 8.332 12.394 -96.925 1.00 0.00 C ATOM 744 CD2 TYR B 39 8.792 10.878 -95.118 1.00 0.00 C ATOM 745 CE1 TYR B 39 7.925 11.333 -97.711 1.00 0.00 C ATOM 746 CE2 TYR B 39 8.387 9.818 -95.904 1.00 0.00 C ATOM 747 CZ TYR B 39 7.954 10.042 -97.196 1.00 0.00 C ATOM 748 OH TYR B 39 7.550 8.985 -97.979 1.00 0.00 O ATOM 0 H TYR B 39 9.495 15.138 -93.081 1.00 0.00 H new ATOM 0 HA TYR B 39 7.636 14.719 -95.216 1.00 0.00 H new ATOM 0 HB2 TYR B 39 9.948 13.916 -95.314 1.00 0.00 H new ATOM 0 HB3 TYR B 39 9.708 12.942 -93.877 1.00 0.00 H new ATOM 0 HD1 TYR B 39 8.312 13.398 -97.321 1.00 0.00 H new ATOM 0 HD2 TYR B 39 9.129 10.702 -94.107 1.00 0.00 H new ATOM 0 HE1 TYR B 39 7.586 11.506 -98.722 1.00 0.00 H new ATOM 0 HE2 TYR B 39 8.409 8.813 -95.508 1.00 0.00 H new ATOM 0 HH TYR B 39 7.632 8.151 -97.471 1.00 0.00 H new ATOM 758 N LEU B 40 7.254 13.002 -92.420 1.00 0.00 N ATOM 759 CA LEU B 40 6.493 11.921 -91.804 1.00 0.00 C ATOM 760 C LEU B 40 5.037 12.320 -91.599 1.00 0.00 C ATOM 761 O LEU B 40 4.128 11.516 -91.807 1.00 0.00 O ATOM 762 CB LEU B 40 7.118 11.534 -90.458 1.00 0.00 C ATOM 763 CG LEU B 40 8.491 10.855 -90.533 1.00 0.00 C ATOM 764 CD1 LEU B 40 9.012 10.605 -89.124 1.00 0.00 C ATOM 765 CD2 LEU B 40 8.372 9.553 -91.311 1.00 0.00 C ATOM 0 H LEU B 40 8.003 13.376 -91.837 1.00 0.00 H new ATOM 0 HA LEU B 40 6.523 11.064 -92.477 1.00 0.00 H new ATOM 0 HB2 LEU B 40 7.211 12.433 -89.849 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.431 10.867 -89.938 1.00 0.00 H new ATOM 0 HG LEU B 40 9.199 11.502 -91.052 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.988 10.122 -89.177 1.00 0.00 H new ATOM 0 HD12 LEU B 40 9.105 11.554 -88.597 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.317 9.959 -88.588 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.348 9.070 -91.364 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.667 8.891 -90.808 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.016 9.763 -92.319 1.00 0.00 H new ATOM 777 N PRO B 41 4.821 13.566 -91.190 1.00 0.00 N ATOM 778 CA PRO B 41 3.475 14.074 -90.958 1.00 0.00 C ATOM 779 C PRO B 41 2.573 13.810 -92.156 1.00 0.00 C ATOM 780 O PRO B 41 1.373 13.577 -92.003 1.00 0.00 O ATOM 781 CB PRO B 41 3.705 15.573 -90.743 1.00 0.00 C ATOM 782 CG PRO B 41 5.050 15.649 -90.106 1.00 0.00 C ATOM 783 CD PRO B 41 5.863 14.605 -90.822 1.00 0.00 C ATOM 0 HA PRO B 41 2.972 13.597 -90.117 1.00 0.00 H new ATOM 0 HB2 PRO B 41 3.680 16.119 -91.686 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.936 16.006 -90.103 1.00 0.00 H new ATOM 0 HG2 PRO B 41 5.488 16.641 -90.220 1.00 0.00 H new ATOM 0 HG3 PRO B 41 4.995 15.445 -89.037 1.00 0.00 H new ATOM 0 HD2 PRO B 41 6.358 15.012 -91.704 1.00 0.00 H new ATOM 0 HD3 PRO B 41 6.642 14.189 -90.182 1.00 0.00 H new ATOM 791 N THR B 42 3.155 13.849 -93.350 1.00 0.00 N ATOM 792 CA THR B 42 2.401 13.629 -94.578 1.00 0.00 C ATOM 793 C THR B 42 2.410 12.158 -94.975 1.00 0.00 C ATOM 794 O THR B 42 1.465 11.665 -95.589 1.00 0.00 O ATOM 795 CB THR B 42 2.962 14.479 -95.732 1.00 0.00 C ATOM 796 OG1 THR B 42 4.303 14.066 -96.027 1.00 0.00 O ATOM 797 CG2 THR B 42 2.960 15.954 -95.358 1.00 0.00 C ATOM 0 H THR B 42 4.148 14.031 -93.493 1.00 0.00 H new ATOM 0 HA THR B 42 1.372 13.933 -94.383 1.00 0.00 H new ATOM 0 HB THR B 42 2.330 14.336 -96.608 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.661 13.553 -95.273 1.00 0.00 H new ATOM 0 HG21 THR B 42 3.360 16.540 -96.186 1.00 0.00 H new ATOM 0 HG22 THR B 42 1.940 16.274 -95.146 1.00 0.00 H new ATOM 0 HG23 THR B 42 3.579 16.106 -94.474 1.00 0.00 H new ATOM 805 N LEU B 43 3.485 11.462 -94.620 1.00 0.00 N ATOM 806 CA LEU B 43 3.541 10.012 -94.763 1.00 0.00 C ATOM 807 C LEU B 43 2.366 9.344 -94.059 1.00 0.00 C ATOM 808 O LEU B 43 1.774 8.398 -94.579 1.00 0.00 O ATOM 809 CB LEU B 43 4.859 9.473 -94.195 1.00 0.00 C ATOM 810 CG LEU B 43 5.022 7.947 -94.223 1.00 0.00 C ATOM 811 CD1 LEU B 43 5.034 7.465 -95.667 1.00 0.00 C ATOM 812 CD2 LEU B 43 6.307 7.561 -93.507 1.00 0.00 C ATOM 0 H LEU B 43 4.330 11.880 -94.231 1.00 0.00 H new ATOM 0 HA LEU B 43 3.484 9.778 -95.826 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.683 9.918 -94.753 1.00 0.00 H new ATOM 0 HB3 LEU B 43 4.954 9.811 -93.163 1.00 0.00 H new ATOM 0 HG LEU B 43 4.186 7.473 -93.709 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.150 6.381 -95.688 1.00 0.00 H new ATOM 0 HD12 LEU B 43 4.096 7.739 -96.150 1.00 0.00 H new ATOM 0 HD13 LEU B 43 5.865 7.929 -96.199 1.00 0.00 H new ATOM 0 HD21 LEU B 43 6.423 6.477 -93.527 1.00 0.00 H new ATOM 0 HD22 LEU B 43 7.156 8.026 -94.008 1.00 0.00 H new ATOM 0 HD23 LEU B 43 6.264 7.903 -92.473 1.00 0.00 H new ATOM 824 N ARG B 44 2.035 9.841 -92.872 1.00 0.00 N ATOM 825 CA ARG B 44 0.975 9.250 -92.063 1.00 0.00 C ATOM 826 C ARG B 44 -0.348 9.232 -92.816 1.00 0.00 C ATOM 827 O ARG B 44 -1.019 8.202 -92.889 1.00 0.00 O ATOM 828 CB ARG B 44 0.805 10.017 -90.760 1.00 0.00 C ATOM 829 CG ARG B 44 1.938 9.842 -89.762 1.00 0.00 C ATOM 830 CD ARG B 44 1.867 10.845 -88.668 1.00 0.00 C ATOM 831 NE ARG B 44 0.762 10.578 -87.761 1.00 0.00 N ATOM 832 CZ ARG B 44 0.271 11.465 -86.873 1.00 0.00 C ATOM 833 NH1 ARG B 44 0.796 12.667 -86.785 1.00 0.00 N ATOM 834 NH2 ARG B 44 -0.739 11.125 -86.090 1.00 0.00 N ATOM 0 H ARG B 44 2.486 10.652 -92.449 1.00 0.00 H new ATOM 0 HA ARG B 44 1.266 8.223 -91.842 1.00 0.00 H new ATOM 0 HB2 ARG B 44 0.704 11.078 -90.990 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -0.126 9.703 -90.289 1.00 0.00 H new ATOM 0 HG2 ARG B 44 1.898 8.838 -89.339 1.00 0.00 H new ATOM 0 HG3 ARG B 44 2.894 9.933 -90.277 1.00 0.00 H new ATOM 0 HD2 ARG B 44 2.804 10.842 -88.111 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.754 11.841 -89.095 1.00 0.00 H new ATOM 0 HE ARG B 44 0.329 9.655 -87.800 1.00 0.00 H new ATOM 0 HH11 ARG B 44 1.575 12.929 -87.389 1.00 0.00 H new ATOM 0 HH12 ARG B 44 0.424 13.338 -86.113 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -1.146 10.192 -86.158 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -1.111 11.796 -85.418 1.00 0.00 H new ATOM 848 N LYS B 45 -0.721 10.379 -93.373 1.00 0.00 N ATOM 849 CA LYS B 45 -1.958 10.493 -94.139 1.00 0.00 C ATOM 850 C LYS B 45 -1.928 9.596 -95.369 1.00 0.00 C ATOM 851 O LYS B 45 -2.928 8.969 -95.716 1.00 0.00 O ATOM 852 CB LYS B 45 -2.199 11.945 -94.553 1.00 0.00 C ATOM 853 CG LYS B 45 -2.557 12.876 -93.402 1.00 0.00 C ATOM 854 CD LYS B 45 -2.755 14.304 -93.887 1.00 0.00 C ATOM 855 CE LYS B 45 -3.099 15.239 -92.737 1.00 0.00 C ATOM 856 NZ LYS B 45 -3.260 16.647 -93.191 1.00 0.00 N ATOM 0 H LYS B 45 -0.184 11.244 -93.309 1.00 0.00 H new ATOM 0 HA LYS B 45 -2.778 10.167 -93.499 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -1.303 12.323 -95.045 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -3.002 11.972 -95.289 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -3.468 12.525 -92.917 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -1.767 12.851 -92.652 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -1.847 14.651 -94.381 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -3.552 14.330 -94.630 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -4.021 14.904 -92.261 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -2.314 15.189 -91.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -3.494 17.250 -92.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -2.373 16.976 -93.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -4.026 16.700 -93.892 1.00 0.00 H new ATOM 870 N GLU B 46 -0.774 9.538 -96.026 1.00 0.00 N ATOM 871 CA GLU B 46 -0.594 8.671 -97.183 1.00 0.00 C ATOM 872 C GLU B 46 -0.861 7.214 -96.827 1.00 0.00 C ATOM 873 O GLU B 46 -1.580 6.512 -97.539 1.00 0.00 O ATOM 874 CB GLU B 46 0.810 8.828 -97.750 1.00 0.00 C ATOM 0 H GLU B 46 0.051 10.083 -95.776 1.00 0.00 H new ATOM 0 HA GLU B 46 -1.316 8.970 -97.942 1.00 0.00 H new ATOM 879 N LEU B 47 -0.277 6.763 -95.722 1.00 0.00 N ATOM 880 CA LEU B 47 -0.460 5.391 -95.264 1.00 0.00 C ATOM 881 C LEU B 47 -1.924 5.099 -94.969 1.00 0.00 C ATOM 882 O LEU B 47 -2.407 3.993 -95.210 1.00 0.00 O ATOM 883 CB LEU B 47 0.383 5.136 -94.007 1.00 0.00 C ATOM 884 CG LEU B 47 1.902 5.122 -94.216 1.00 0.00 C ATOM 885 CD1 LEU B 47 2.600 5.031 -92.865 1.00 0.00 C ATOM 886 CD2 LEU B 47 2.281 3.948 -95.107 1.00 0.00 C ATOM 0 H LEU B 47 0.328 7.329 -95.126 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.132 4.725 -96.062 1.00 0.00 H new ATOM 0 HB2 LEU B 47 0.143 5.902 -93.270 1.00 0.00 H new ATOM 0 HB3 LEU B 47 0.085 4.178 -93.580 1.00 0.00 H new ATOM 0 HG LEU B 47 2.219 6.042 -94.706 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.680 5.021 -93.013 1.00 0.00 H new ATOM 0 HD12 LEU B 47 2.325 5.892 -92.255 1.00 0.00 H new ATOM 0 HD13 LEU B 47 2.295 4.115 -92.359 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.361 3.938 -95.256 1.00 0.00 H new ATOM 0 HD22 LEU B 47 1.971 3.017 -94.633 1.00 0.00 H new ATOM 0 HD23 LEU B 47 1.783 4.047 -96.071 1.00 0.00 H new ATOM 898 N MET B 48 -2.629 6.097 -94.445 1.00 0.00 N ATOM 899 CA MET B 48 -4.060 5.976 -94.196 1.00 0.00 C ATOM 900 C MET B 48 -4.827 5.744 -95.491 1.00 0.00 C ATOM 901 O MET B 48 -5.667 4.848 -95.574 1.00 0.00 O ATOM 902 CB MET B 48 -4.579 7.225 -93.486 1.00 0.00 C ATOM 903 CG MET B 48 -4.089 7.385 -92.054 1.00 0.00 C ATOM 904 SD MET B 48 -4.632 8.932 -91.301 1.00 0.00 S ATOM 905 CE MET B 48 -6.380 8.610 -91.091 1.00 0.00 C ATOM 0 H MET B 48 -2.231 6.999 -94.185 1.00 0.00 H new ATOM 0 HA MET B 48 -4.220 5.111 -93.553 1.00 0.00 H new ATOM 0 HB2 MET B 48 -4.282 8.103 -94.059 1.00 0.00 H new ATOM 0 HB3 MET B 48 -5.669 7.200 -93.483 1.00 0.00 H new ATOM 0 HG2 MET B 48 -4.449 6.548 -91.455 1.00 0.00 H new ATOM 0 HG3 MET B 48 -3.000 7.341 -92.040 1.00 0.00 H new ATOM 0 HE1 MET B 48 -6.953 9.280 -91.732 1.00 0.00 H new ATOM 0 HE2 MET B 48 -6.595 7.576 -91.362 1.00 0.00 H new ATOM 0 HE3 MET B 48 -6.658 8.778 -90.051 1.00 0.00 H new ATOM 915 N GLU B 49 -4.532 6.556 -96.501 1.00 0.00 N ATOM 916 CA GLU B 49 -5.121 6.379 -97.823 1.00 0.00 C ATOM 917 C GLU B 49 -4.864 4.975 -98.357 1.00 0.00 C ATOM 918 O GLU B 49 -5.771 4.322 -98.873 1.00 0.00 O ATOM 919 CB GLU B 49 -4.562 7.416 -98.799 1.00 0.00 C ATOM 920 CG GLU B 49 -5.108 7.306-100.216 1.00 0.00 C ATOM 921 CD GLU B 49 -4.540 8.342-101.145 1.00 0.00 C ATOM 922 OE1 GLU B 49 -3.845 9.212-100.679 1.00 0.00 O ATOM 923 OE2 GLU B 49 -4.801 8.264-102.322 1.00 0.00 O ATOM 0 H GLU B 49 -3.888 7.344 -96.429 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.198 6.519 -97.729 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.780 8.413 -98.415 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.477 7.318 -98.832 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.887 6.313-100.609 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.193 7.405-100.190 1.00 0.00 H new ATOM 930 N VAL B 50 -3.624 4.517 -98.229 1.00 0.00 N ATOM 931 CA VAL B 50 -3.249 3.182 -98.681 1.00 0.00 C ATOM 932 C VAL B 50 -4.161 2.121 -98.079 1.00 0.00 C ATOM 933 O VAL B 50 -4.683 1.262 -98.789 1.00 0.00 O ATOM 934 CB VAL B 50 -1.788 2.879 -98.298 1.00 0.00 C ATOM 935 CG1 VAL B 50 -1.472 1.409 -98.531 1.00 0.00 C ATOM 936 CG2 VAL B 50 -0.848 3.765 -99.099 1.00 0.00 C ATOM 0 H VAL B 50 -2.860 5.051 -97.815 1.00 0.00 H new ATOM 0 HA VAL B 50 -3.354 3.157 -99.766 1.00 0.00 H new ATOM 0 HB VAL B 50 -1.648 3.092 -97.238 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -0.436 1.211 -98.256 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -2.133 0.794 -97.921 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -1.620 1.167 -99.584 1.00 0.00 H new ATOM 0 HG21 VAL B 50 0.183 3.545 -98.823 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -0.987 3.575-100.163 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -1.065 4.812 -98.886 1.00 0.00 H new ATOM 946 N LEU B 51 -4.347 2.185 -96.765 1.00 0.00 N ATOM 947 CA LEU B 51 -5.130 1.182 -96.053 1.00 0.00 C ATOM 948 C LEU B 51 -6.581 1.184 -96.517 1.00 0.00 C ATOM 949 O LEU B 51 -7.215 0.133 -96.610 1.00 0.00 O ATOM 950 CB LEU B 51 -5.071 1.438 -94.542 1.00 0.00 C ATOM 951 CG LEU B 51 -3.704 1.210 -93.882 1.00 0.00 C ATOM 952 CD1 LEU B 51 -3.771 1.620 -92.418 1.00 0.00 C ATOM 953 CD2 LEU B 51 -3.310 -0.253 -94.022 1.00 0.00 C ATOM 0 H LEU B 51 -3.966 2.922 -96.171 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.700 0.205 -96.273 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -5.378 2.467 -94.354 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -5.802 0.793 -94.054 1.00 0.00 H new ATOM 0 HG LEU B 51 -2.947 1.819 -94.375 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -2.800 1.458 -91.950 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -4.036 2.675 -92.347 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.525 1.021 -91.907 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.339 -0.415 -93.553 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.057 -0.879 -93.535 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -3.251 -0.514 -95.079 1.00 0.00 H new ATOM 965 N SER B 52 -7.102 2.372 -96.807 1.00 0.00 N ATOM 966 CA SER B 52 -8.502 2.521 -97.190 1.00 0.00 C ATOM 967 C SER B 52 -8.785 1.835 -98.520 1.00 0.00 C ATOM 968 O SER B 52 -9.940 1.595 -98.871 1.00 0.00 O ATOM 969 CB SER B 52 -8.862 3.991 -97.282 1.00 0.00 C ATOM 970 OG SER B 52 -8.275 4.583 -98.407 1.00 0.00 O ATOM 0 H SER B 52 -6.576 3.246 -96.784 1.00 0.00 H new ATOM 0 HA SER B 52 -9.114 2.045 -96.424 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.945 4.101 -97.333 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.531 4.507 -96.381 1.00 0.00 H new ATOM 0 HG SER B 52 -7.402 4.171 -98.576 1.00 0.00 H new ATOM 976 N LYS B 53 -7.725 1.521 -99.256 1.00 0.00 N ATOM 977 CA LYS B 53 -7.855 0.823-100.529 1.00 0.00 C ATOM 978 C LYS B 53 -7.699 -0.682-100.351 1.00 0.00 C ATOM 979 O LYS B 53 -8.385 -1.468-101.005 1.00 0.00 O ATOM 980 CB LYS B 53 -6.826 1.343-101.534 1.00 0.00 C ATOM 981 CG LYS B 53 -7.031 2.793-101.951 1.00 0.00 C ATOM 982 CD LYS B 53 -5.930 3.259-102.892 1.00 0.00 C ATOM 983 CE LYS B 53 -6.100 4.725-103.263 1.00 0.00 C ATOM 984 NZ LYS B 53 -4.994 5.211-104.130 1.00 0.00 N ATOM 0 H LYS B 53 -6.764 1.739 -98.992 1.00 0.00 H new ATOM 0 HA LYS B 53 -8.856 1.019-100.915 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.830 1.239-101.103 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -6.855 0.714-102.424 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -7.999 2.899-102.440 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -7.049 3.429-101.066 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -4.959 3.112-102.419 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -5.940 2.650-103.796 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -7.051 4.861-103.778 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -6.140 5.327-102.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.148 6.214-104.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -4.089 5.105-103.629 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -4.971 4.654-105.008 1.00 0.00 H new ATOM 998 N TYR B 54 -6.794 -1.077 -99.463 1.00 0.00 N ATOM 999 CA TYR B 54 -6.507 -2.488 -99.237 1.00 0.00 C ATOM 1000 C TYR B 54 -7.607 -3.150 -98.417 1.00 0.00 C ATOM 1001 O TYR B 54 -8.246 -4.099 -98.869 1.00 0.00 O ATOM 1002 CB TYR B 54 -5.154 -2.654 -98.542 1.00 0.00 C ATOM 1003 CG TYR B 54 -3.977 -2.665 -99.491 1.00 0.00 C ATOM 1004 CD1 TYR B 54 -3.129 -1.568 -99.558 1.00 0.00 C ATOM 1005 CD2 TYR B 54 -3.745 -3.770-100.296 1.00 0.00 C ATOM 1006 CE1 TYR B 54 -2.054 -1.578-100.425 1.00 0.00 C ATOM 1007 CE2 TYR B 54 -2.669 -3.779-101.164 1.00 0.00 C ATOM 1008 CZ TYR B 54 -1.826 -2.689-101.229 1.00 0.00 C ATOM 1009 OH TYR B 54 -0.756 -2.699-102.094 1.00 0.00 O ATOM 0 H TYR B 54 -6.246 -0.438 -98.887 1.00 0.00 H new ATOM 0 HA TYR B 54 -6.467 -2.981-100.208 1.00 0.00 H new ATOM 0 HB2 TYR B 54 -5.023 -1.844 -97.825 1.00 0.00 H new ATOM 0 HB3 TYR B 54 -5.160 -3.584 -97.974 1.00 0.00 H new ATOM 0 HD1 TYR B 54 -3.310 -0.707 -98.932 1.00 0.00 H new ATOM 0 HD2 TYR B 54 -4.405 -4.623-100.245 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -1.393 -0.726-100.478 1.00 0.00 H new ATOM 0 HE2 TYR B 54 -2.488 -4.639-101.791 1.00 0.00 H new ATOM 0 HH TYR B 54 -0.738 -3.549-102.582 1.00 0.00 H new ATOM 1019 N VAL B 55 -7.823 -2.643 -97.208 1.00 0.00 N ATOM 1020 CA VAL B 55 -8.709 -3.295 -96.251 1.00 0.00 C ATOM 1021 C VAL B 55 -10.051 -2.579 -96.166 1.00 0.00 C ATOM 1022 O VAL B 55 -10.875 -2.887 -95.305 1.00 0.00 O ATOM 1023 CB VAL B 55 -8.057 -3.326 -94.855 1.00 0.00 C ATOM 1024 CG1 VAL B 55 -6.777 -4.147 -94.883 1.00 0.00 C ATOM 1025 CG2 VAL B 55 -7.777 -1.907 -94.383 1.00 0.00 C ATOM 0 H VAL B 55 -7.396 -1.782 -96.867 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.879 -4.314 -96.598 1.00 0.00 H new ATOM 0 HB VAL B 55 -8.745 -3.798 -94.154 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -6.330 -4.158 -93.889 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -7.006 -5.168 -95.189 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -6.076 -3.704 -95.591 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.316 -1.936 -93.396 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -7.102 -1.417 -95.084 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -8.712 -1.350 -94.330 1.00 0.00 H new ATOM 1035 N ASN B 56 -10.264 -1.623 -97.063 1.00 0.00 N ATOM 1036 CA ASN B 56 -11.564 -0.979 -97.203 1.00 0.00 C ATOM 1037 C ASN B 56 -12.040 -0.405 -95.875 1.00 0.00 C ATOM 1038 O ASN B 56 -13.237 -0.209 -95.666 1.00 0.00 O ATOM 1039 CB ASN B 56 -12.585 -1.954 -97.760 1.00 0.00 C ATOM 1040 CG ASN B 56 -12.265 -2.385 -99.165 1.00 0.00 C ATOM 1041 OD1 ASN B 56 -11.948 -1.556-100.025 1.00 0.00 O ATOM 1042 ND2 ASN B 56 -12.343 -3.668 -99.413 1.00 0.00 N ATOM 0 H ASN B 56 -9.551 -1.276 -97.705 1.00 0.00 H new ATOM 0 HA ASN B 56 -11.455 -0.152 -97.905 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -12.632 -2.832 -97.116 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -13.572 -1.491 -97.741 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -12.138 -4.020-100.348 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -12.609 -4.316 -98.671 1.00 0.00 H new ATOM 1049 N VAL B 57 -11.096 -0.136 -94.980 1.00 0.00 N ATOM 1050 CA VAL B 57 -11.388 0.603 -93.757 1.00 0.00 C ATOM 1051 C VAL B 57 -11.318 2.107 -93.993 1.00 0.00 C ATOM 1052 O VAL B 57 -10.547 2.578 -94.827 1.00 0.00 O ATOM 1053 CB VAL B 57 -10.394 0.214 -92.647 1.00 0.00 C ATOM 1054 CG1 VAL B 57 -10.582 1.103 -91.427 1.00 0.00 C ATOM 1055 CG2 VAL B 57 -10.575 -1.251 -92.280 1.00 0.00 C ATOM 0 H VAL B 57 -10.121 -0.419 -95.078 1.00 0.00 H new ATOM 0 HA VAL B 57 -12.401 0.345 -93.447 1.00 0.00 H new ATOM 0 HB VAL B 57 -9.378 0.358 -93.016 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -9.871 0.814 -90.653 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -10.412 2.143 -91.705 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -11.598 0.990 -91.048 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -9.869 -1.519 -91.494 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -11.592 -1.414 -91.924 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -10.394 -1.871 -93.158 1.00 0.00 H new ATOM 1065 N SER B 58 -12.129 2.855 -93.252 1.00 0.00 N ATOM 1066 CA SER B 58 -12.380 4.255 -93.568 1.00 0.00 C ATOM 1067 C SER B 58 -11.444 5.172 -92.789 1.00 0.00 C ATOM 1068 O SER B 58 -10.975 4.821 -91.706 1.00 0.00 O ATOM 1069 CB SER B 58 -13.821 4.611 -93.259 1.00 0.00 C ATOM 1070 OG SER B 58 -14.037 5.989 -93.387 1.00 0.00 O ATOM 0 H SER B 58 -12.624 2.514 -92.428 1.00 0.00 H new ATOM 0 HA SER B 58 -12.192 4.397 -94.632 1.00 0.00 H new ATOM 0 HB2 SER B 58 -14.485 4.071 -93.934 1.00 0.00 H new ATOM 0 HB3 SER B 58 -14.069 4.293 -92.246 1.00 0.00 H new ATOM 0 HG SER B 58 -14.974 6.193 -93.184 1.00 0.00 H new ATOM 1076 N LEU B 59 -11.174 6.346 -93.348 1.00 0.00 N ATOM 1077 CA LEU B 59 -10.281 7.309 -92.715 1.00 0.00 C ATOM 1078 C LEU B 59 -10.770 7.681 -91.321 1.00 0.00 C ATOM 1079 O LEU B 59 -9.977 8.031 -90.447 1.00 0.00 O ATOM 1080 CB LEU B 59 -10.165 8.573 -93.577 1.00 0.00 C ATOM 1081 CG LEU B 59 -9.472 8.390 -94.934 1.00 0.00 C ATOM 1082 CD1 LEU B 59 -9.548 9.692 -95.722 1.00 0.00 C ATOM 1083 CD2 LEU B 59 -8.027 7.969 -94.713 1.00 0.00 C ATOM 0 H LEU B 59 -11.561 6.654 -94.240 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.300 6.843 -92.622 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.167 8.965 -93.751 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -9.621 9.329 -93.010 1.00 0.00 H new ATOM 0 HG LEU B 59 -9.974 7.610 -95.507 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -9.056 9.563 -96.686 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -10.592 9.961 -95.881 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -9.050 10.485 -95.164 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -7.534 7.839 -95.677 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -7.508 8.738 -94.141 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -8.002 7.028 -94.163 1.00 0.00 H new ATOM 1095 N ASP B 60 -12.081 7.605 -91.120 1.00 0.00 N ATOM 1096 CA ASP B 60 -12.670 7.843 -89.808 1.00 0.00 C ATOM 1097 C ASP B 60 -12.412 6.674 -88.867 1.00 0.00 C ATOM 1098 O ASP B 60 -12.385 6.839 -87.648 1.00 0.00 O ATOM 1099 CB ASP B 60 -14.177 8.083 -89.932 1.00 0.00 C ATOM 1100 CG ASP B 60 -14.513 9.415 -90.589 1.00 0.00 C ATOM 1101 OD1 ASP B 60 -13.653 10.262 -90.643 1.00 0.00 O ATOM 1102 OD2 ASP B 60 -15.626 9.572 -91.030 1.00 0.00 O ATOM 0 H ASP B 60 -12.757 7.380 -91.850 1.00 0.00 H new ATOM 0 HA ASP B 60 -12.198 8.733 -89.391 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -14.622 7.275 -90.513 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -14.628 8.049 -88.940 1.00 0.00 H new ATOM 1107 N ASN B 61 -12.220 5.490 -89.441 1.00 0.00 N ATOM 1108 CA ASN B 61 -12.045 4.276 -88.653 1.00 0.00 C ATOM 1109 C ASN B 61 -10.582 3.857 -88.606 1.00 0.00 C ATOM 1110 O ASN B 61 -10.250 2.779 -88.111 1.00 0.00 O ATOM 1111 CB ASN B 61 -12.905 3.153 -89.204 1.00 0.00 C ATOM 1112 CG ASN B 61 -14.375 3.404 -89.014 1.00 0.00 C ATOM 1113 OD1 ASN B 61 -14.794 3.978 -88.002 1.00 0.00 O ATOM 1114 ND2 ASN B 61 -15.168 2.985 -89.967 1.00 0.00 N ATOM 0 H ASN B 61 -12.182 5.346 -90.450 1.00 0.00 H new ATOM 0 HA ASN B 61 -12.366 4.489 -87.633 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -12.696 3.028 -90.266 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -12.633 2.218 -88.714 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -16.175 3.128 -89.892 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -14.779 2.516 -90.785 1.00 0.00 H new ATOM 1121 N ILE B 62 -9.709 4.715 -89.123 1.00 0.00 N ATOM 1122 CA ILE B 62 -8.271 4.487 -89.042 1.00 0.00 C ATOM 1123 C ILE B 62 -7.628 5.390 -87.997 1.00 0.00 C ATOM 1124 O ILE B 62 -7.935 6.580 -87.917 1.00 0.00 O ATOM 1125 CB ILE B 62 -7.600 4.722 -90.407 1.00 0.00 C ATOM 1126 CG1 ILE B 62 -8.074 3.679 -91.422 1.00 0.00 C ATOM 1127 CG2 ILE B 62 -6.085 4.686 -90.269 1.00 0.00 C ATOM 1128 CD1 ILE B 62 -7.701 4.001 -92.851 1.00 0.00 C ATOM 0 H ILE B 62 -9.973 5.576 -89.603 1.00 0.00 H new ATOM 0 HA ILE B 62 -8.123 3.448 -88.747 1.00 0.00 H new ATOM 0 HB ILE B 62 -7.888 5.709 -90.769 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -7.652 2.710 -91.156 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -9.158 3.585 -91.352 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.627 4.854 -91.244 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.764 5.465 -89.578 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -5.778 3.713 -89.886 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -8.072 3.216 -93.510 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -8.145 4.954 -93.137 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -6.616 4.066 -92.938 1.00 0.00 H new ATOM 1140 N ARG B 63 -6.735 4.819 -87.197 1.00 0.00 N ATOM 1141 CA ARG B 63 -5.946 5.595 -86.249 1.00 0.00 C ATOM 1142 C ARG B 63 -4.454 5.428 -86.507 1.00 0.00 C ATOM 1143 O ARG B 63 -3.995 4.348 -86.876 1.00 0.00 O ATOM 1144 CB ARG B 63 -6.261 5.178 -84.820 1.00 0.00 C ATOM 1145 CG ARG B 63 -7.699 5.416 -84.387 1.00 0.00 C ATOM 1146 CD ARG B 63 -8.003 6.866 -84.267 1.00 0.00 C ATOM 1147 NE ARG B 63 -9.375 7.099 -83.846 1.00 0.00 N ATOM 1148 CZ ARG B 63 -10.428 7.190 -84.682 1.00 0.00 C ATOM 1149 NH1 ARG B 63 -10.249 7.066 -85.979 1.00 0.00 N ATOM 1150 NH2 ARG B 63 -11.639 7.403 -84.199 1.00 0.00 N ATOM 0 H ARG B 63 -6.539 3.818 -87.187 1.00 0.00 H new ATOM 0 HA ARG B 63 -6.210 6.644 -86.385 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -6.034 4.118 -84.708 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -5.599 5.719 -84.144 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.377 4.960 -85.109 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.877 4.926 -83.430 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -7.321 7.322 -83.550 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -7.830 7.354 -85.226 1.00 0.00 H new ATOM 0 HE ARG B 63 -9.553 7.201 -82.847 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -9.314 6.901 -86.351 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -11.045 7.135 -86.613 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -11.777 7.499 -83.193 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -12.436 7.472 -84.832 1.00 0.00 H new ATOM 1164 N ILE B 64 -3.700 6.505 -86.310 1.00 0.00 N ATOM 1165 CA ILE B 64 -2.264 6.490 -86.556 1.00 0.00 C ATOM 1166 C ILE B 64 -1.544 7.512 -85.685 1.00 0.00 C ATOM 1167 O ILE B 64 -1.922 8.684 -85.646 1.00 0.00 O ATOM 1168 CB ILE B 64 -1.957 6.772 -88.038 1.00 0.00 C ATOM 1169 CG1 ILE B 64 -0.457 6.627 -88.310 1.00 0.00 C ATOM 1170 CG2 ILE B 64 -2.441 8.160 -88.427 1.00 0.00 C ATOM 1171 CD1 ILE B 64 -0.108 6.554 -89.779 1.00 0.00 C ATOM 0 H ILE B 64 -4.061 7.400 -85.980 1.00 0.00 H new ATOM 0 HA ILE B 64 -1.903 5.494 -86.300 1.00 0.00 H new ATOM 0 HB ILE B 64 -2.489 6.041 -88.647 1.00 0.00 H new ATOM 0 HG12 ILE B 64 0.067 7.472 -87.863 1.00 0.00 H new ATOM 0 HG13 ILE B 64 -0.093 5.727 -87.814 1.00 0.00 H new ATOM 0 HG21 ILE B 64 -2.216 8.343 -89.478 1.00 0.00 H new ATOM 0 HG22 ILE B 64 -3.517 8.227 -88.269 1.00 0.00 H new ATOM 0 HG23 ILE B 64 -1.937 8.906 -87.813 1.00 0.00 H new ATOM 0 HD11 ILE B 64 0.971 6.452 -89.892 1.00 0.00 H new ATOM 0 HD12 ILE B 64 -0.603 5.693 -90.228 1.00 0.00 H new ATOM 0 HD13 ILE B 64 -0.441 7.464 -90.278 1.00 0.00 H new ATOM 1183 N SER B 65 -0.508 7.062 -84.987 1.00 0.00 N ATOM 1184 CA SER B 65 0.208 7.913 -84.043 1.00 0.00 C ATOM 1185 C SER B 65 1.707 7.648 -84.089 1.00 0.00 C ATOM 1186 O SER B 65 2.148 6.502 -84.002 1.00 0.00 O ATOM 1187 CB SER B 65 -0.312 7.685 -82.637 1.00 0.00 C ATOM 1188 OG SER B 65 0.367 8.490 -81.714 1.00 0.00 O ATOM 0 H SER B 65 -0.144 6.112 -85.057 1.00 0.00 H new ATOM 0 HA SER B 65 0.036 8.951 -84.329 1.00 0.00 H new ATOM 0 HB2 SER B 65 -1.379 7.904 -82.600 1.00 0.00 H new ATOM 0 HB3 SER B 65 -0.193 6.636 -82.367 1.00 0.00 H new ATOM 0 HG SER B 65 0.828 7.922 -81.061 1.00 0.00 H new ATOM 1194 N GLN B 66 2.488 8.714 -84.227 1.00 0.00 N ATOM 1195 CA GLN B 66 3.942 8.604 -84.230 1.00 0.00 C ATOM 1196 C GLN B 66 4.496 8.592 -82.812 1.00 0.00 C ATOM 1197 O GLN B 66 4.317 9.548 -82.056 1.00 0.00 O ATOM 1198 CB GLN B 66 4.564 9.756 -85.025 1.00 0.00 C ATOM 1199 CG GLN B 66 6.075 9.672 -85.162 1.00 0.00 C ATOM 1200 CD GLN B 66 6.642 10.794 -86.011 1.00 0.00 C ATOM 1201 OE1 GLN B 66 5.909 11.481 -86.728 1.00 0.00 O ATOM 1202 NE2 GLN B 66 7.954 10.986 -85.937 1.00 0.00 N ATOM 0 H GLN B 66 2.138 9.665 -84.338 1.00 0.00 H new ATOM 0 HA GLN B 66 4.204 7.660 -84.707 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.121 9.777 -86.020 1.00 0.00 H new ATOM 0 HB3 GLN B 66 4.306 10.698 -84.541 1.00 0.00 H new ATOM 0 HG2 GLN B 66 6.529 9.704 -84.172 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.344 8.713 -85.605 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.523 10.395 -85.331 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.393 11.725 -86.486 1.00 0.00 H new ATOM 1211 N GLU B 67 5.170 7.504 -82.455 1.00 0.00 N ATOM 1212 CA GLU B 67 5.723 7.351 -81.115 1.00 0.00 C ATOM 1213 C GLU B 67 7.245 7.283 -81.151 1.00 0.00 C ATOM 1214 O GLU B 67 7.853 7.353 -82.219 1.00 0.00 O ATOM 1215 CB GLU B 67 5.163 6.093 -80.447 1.00 0.00 C ATOM 1216 CG GLU B 67 3.643 6.022 -80.416 1.00 0.00 C ATOM 1217 CD GLU B 67 3.027 7.061 -79.522 1.00 0.00 C ATOM 1218 OE1 GLU B 67 3.677 7.481 -78.594 1.00 0.00 O ATOM 1219 OE2 GLU B 67 1.904 7.437 -79.767 1.00 0.00 O ATOM 0 H GLU B 67 5.346 6.714 -83.076 1.00 0.00 H new ATOM 0 HA GLU B 67 5.432 8.226 -80.533 1.00 0.00 H new ATOM 0 HB2 GLU B 67 5.545 5.217 -80.971 1.00 0.00 H new ATOM 0 HB3 GLU B 67 5.538 6.041 -79.425 1.00 0.00 H new ATOM 0 HG2 GLU B 67 3.258 6.146 -81.428 1.00 0.00 H new ATOM 0 HG3 GLU B 67 3.337 5.032 -80.078 1.00 0.00 H new ATOM 1226 N LYS B 68 7.854 7.147 -79.978 1.00 0.00 N ATOM 1227 CA LYS B 68 9.304 7.038 -79.876 1.00 0.00 C ATOM 1228 C LYS B 68 9.709 5.818 -79.059 1.00 0.00 C ATOM 1229 O LYS B 68 9.158 5.566 -77.988 1.00 0.00 O ATOM 1230 CB LYS B 68 9.895 8.306 -79.257 1.00 0.00 C ATOM 1231 CG LYS B 68 9.793 9.544 -80.138 1.00 0.00 C ATOM 1232 CD LYS B 68 10.586 10.704 -79.556 1.00 0.00 C ATOM 1233 CE LYS B 68 10.641 11.878 -80.522 1.00 0.00 C ATOM 1234 NZ LYS B 68 11.480 11.579 -81.714 1.00 0.00 N ATOM 0 H LYS B 68 7.365 7.110 -79.084 1.00 0.00 H new ATOM 0 HA LYS B 68 9.701 6.919 -80.884 1.00 0.00 H new ATOM 0 HB2 LYS B 68 9.388 8.505 -78.313 1.00 0.00 H new ATOM 0 HB3 LYS B 68 10.945 8.127 -79.024 1.00 0.00 H new ATOM 0 HG2 LYS B 68 10.163 9.313 -81.137 1.00 0.00 H new ATOM 0 HG3 LYS B 68 8.747 9.832 -80.244 1.00 0.00 H new ATOM 0 HD2 LYS B 68 10.131 11.023 -78.618 1.00 0.00 H new ATOM 0 HD3 LYS B 68 11.599 10.374 -79.323 1.00 0.00 H new ATOM 0 HE2 LYS B 68 9.631 12.131 -80.844 1.00 0.00 H new ATOM 0 HE3 LYS B 68 11.040 12.752 -80.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 11.505 12.410 -82.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 12.447 11.346 -81.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 11.076 10.771 -82.229 1.00 0.00 H new ATOM 1248 N GLN B 69 10.676 5.063 -79.571 1.00 0.00 N ATOM 1249 CA GLN B 69 11.287 3.982 -78.809 1.00 0.00 C ATOM 1250 C GLN B 69 12.790 3.917 -79.053 1.00 0.00 C ATOM 1251 O GLN B 69 13.237 3.751 -80.188 1.00 0.00 O ATOM 1252 CB GLN B 69 10.641 2.641 -79.168 1.00 0.00 C ATOM 1253 CG GLN B 69 11.243 1.446 -78.447 1.00 0.00 C ATOM 1254 CD GLN B 69 10.968 1.473 -76.955 1.00 0.00 C ATOM 1255 OE1 GLN B 69 9.812 1.511 -76.523 1.00 0.00 O ATOM 1256 NE2 GLN B 69 12.031 1.452 -76.158 1.00 0.00 N ATOM 0 H GLN B 69 11.053 5.181 -80.511 1.00 0.00 H new ATOM 0 HA GLN B 69 11.120 4.185 -77.751 1.00 0.00 H new ATOM 0 HB2 GLN B 69 9.576 2.691 -78.939 1.00 0.00 H new ATOM 0 HB3 GLN B 69 10.729 2.484 -80.243 1.00 0.00 H new ATOM 0 HG2 GLN B 69 10.839 0.527 -78.872 1.00 0.00 H new ATOM 0 HG3 GLN B 69 12.320 1.428 -78.615 1.00 0.00 H new ATOM 0 HE21 GLN B 69 12.968 1.421 -76.559 1.00 0.00 H new ATOM 0 HE22 GLN B 69 11.910 1.467 -75.145 1.00 0.00 H new ATOM 1265 N ASP B 70 13.564 4.048 -77.982 1.00 0.00 N ATOM 1266 CA ASP B 70 15.012 4.182 -78.095 1.00 0.00 C ATOM 1267 C ASP B 70 15.390 5.415 -78.906 1.00 0.00 C ATOM 1268 O ASP B 70 14.845 6.499 -78.697 1.00 0.00 O ATOM 1269 CB ASP B 70 15.617 2.933 -78.741 1.00 0.00 C ATOM 1270 CG ASP B 70 15.266 1.652 -77.996 1.00 0.00 C ATOM 1271 OD1 ASP B 70 14.863 1.739 -76.861 1.00 0.00 O ATOM 1272 OD2 ASP B 70 15.406 0.598 -78.570 1.00 0.00 O ATOM 0 H ASP B 70 13.213 4.064 -77.024 1.00 0.00 H new ATOM 0 HA ASP B 70 15.413 4.295 -77.088 1.00 0.00 H new ATOM 0 HB2 ASP B 70 15.267 2.856 -79.770 1.00 0.00 H new ATOM 0 HB3 ASP B 70 16.701 3.039 -78.780 1.00 0.00 H new ATOM 1277 N GLY B 71 16.325 5.242 -79.834 1.00 0.00 N ATOM 1278 CA GLY B 71 16.799 6.347 -80.659 1.00 0.00 C ATOM 1279 C GLY B 71 16.105 6.357 -82.016 1.00 0.00 C ATOM 1280 O GLY B 71 16.571 7.001 -82.956 1.00 0.00 O ATOM 0 H GLY B 71 16.770 4.346 -80.034 1.00 0.00 H new ATOM 0 HA2 GLY B 71 16.616 7.292 -80.147 1.00 0.00 H new ATOM 0 HA3 GLY B 71 17.877 6.264 -80.799 1.00 0.00 H new ATOM 1284 N MET B 72 14.991 5.641 -82.110 1.00 0.00 N ATOM 1285 CA MET B 72 14.175 5.648 -83.319 1.00 0.00 C ATOM 1286 C MET B 72 12.716 5.944 -82.998 1.00 0.00 C ATOM 1287 O MET B 72 12.285 5.816 -81.852 1.00 0.00 O ATOM 1288 CB MET B 72 14.301 4.311 -84.048 1.00 0.00 C ATOM 1289 CG MET B 72 15.721 3.946 -84.454 1.00 0.00 C ATOM 1290 SD MET B 72 15.812 2.368 -85.323 1.00 0.00 S ATOM 1291 CE MET B 72 15.579 1.221 -83.968 1.00 0.00 C ATOM 0 H MET B 72 14.631 5.047 -81.363 1.00 0.00 H new ATOM 0 HA MET B 72 14.541 6.442 -83.970 1.00 0.00 H new ATOM 0 HB2 MET B 72 13.906 3.523 -83.407 1.00 0.00 H new ATOM 0 HB3 MET B 72 13.677 4.338 -84.941 1.00 0.00 H new ATOM 0 HG2 MET B 72 16.125 4.732 -85.092 1.00 0.00 H new ATOM 0 HG3 MET B 72 16.349 3.903 -83.564 1.00 0.00 H new ATOM 0 HE1 MET B 72 16.192 0.335 -84.132 1.00 0.00 H new ATOM 0 HE2 MET B 72 15.873 1.698 -83.033 1.00 0.00 H new ATOM 0 HE3 MET B 72 14.530 0.931 -83.913 1.00 0.00 H new ATOM 1301 N ASP B 73 11.960 6.340 -84.016 1.00 0.00 N ATOM 1302 CA ASP B 73 10.524 6.545 -83.869 1.00 0.00 C ATOM 1303 C ASP B 73 9.746 5.288 -84.237 1.00 0.00 C ATOM 1304 O ASP B 73 10.153 4.531 -85.119 1.00 0.00 O ATOM 1305 CB ASP B 73 10.057 7.714 -84.740 1.00 0.00 C ATOM 1306 CG ASP B 73 10.564 9.061 -84.244 1.00 0.00 C ATOM 1307 OD1 ASP B 73 11.129 9.106 -83.177 1.00 0.00 O ATOM 1308 OD2 ASP B 73 10.380 10.034 -84.937 1.00 0.00 O ATOM 0 H ASP B 73 12.318 6.526 -84.953 1.00 0.00 H new ATOM 0 HA ASP B 73 10.330 6.777 -82.822 1.00 0.00 H new ATOM 0 HB2 ASP B 73 10.398 7.557 -85.763 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.967 7.729 -84.766 1.00 0.00 H new ATOM 1313 N VAL B 74 8.627 5.070 -83.556 1.00 0.00 N ATOM 1314 CA VAL B 74 7.738 3.960 -83.879 1.00 0.00 C ATOM 1315 C VAL B 74 6.359 4.460 -84.291 1.00 0.00 C ATOM 1316 O VAL B 74 5.583 4.929 -83.457 1.00 0.00 O ATOM 1317 CB VAL B 74 7.598 3.018 -82.669 1.00 0.00 C ATOM 1318 CG1 VAL B 74 6.658 1.868 -82.995 1.00 0.00 C ATOM 1319 CG2 VAL B 74 8.967 2.495 -82.259 1.00 0.00 C ATOM 0 H VAL B 74 8.313 5.648 -82.776 1.00 0.00 H new ATOM 0 HA VAL B 74 8.177 3.417 -84.716 1.00 0.00 H new ATOM 0 HB VAL B 74 7.173 3.576 -81.834 1.00 0.00 H new ATOM 0 HG11 VAL B 74 6.571 1.212 -82.129 1.00 0.00 H new ATOM 0 HG12 VAL B 74 5.675 2.263 -83.251 1.00 0.00 H new ATOM 0 HG13 VAL B 74 7.053 1.303 -83.839 1.00 0.00 H new ATOM 0 HG21 VAL B 74 8.861 1.829 -81.402 1.00 0.00 H new ATOM 0 HG22 VAL B 74 9.412 1.948 -83.091 1.00 0.00 H new ATOM 0 HG23 VAL B 74 9.611 3.332 -81.990 1.00 0.00 H new ATOM 1329 N LEU B 75 6.059 4.359 -85.581 1.00 0.00 N ATOM 1330 CA LEU B 75 4.769 4.791 -86.104 1.00 0.00 C ATOM 1331 C LEU B 75 3.736 3.676 -86.016 1.00 0.00 C ATOM 1332 O LEU B 75 3.924 2.596 -86.579 1.00 0.00 O ATOM 1333 CB LEU B 75 4.915 5.248 -87.561 1.00 0.00 C ATOM 1334 CG LEU B 75 3.632 5.760 -88.229 1.00 0.00 C ATOM 1335 CD1 LEU B 75 3.137 6.999 -87.495 1.00 0.00 C ATOM 1336 CD2 LEU B 75 3.909 6.067 -89.693 1.00 0.00 C ATOM 0 H LEU B 75 6.693 3.981 -86.285 1.00 0.00 H new ATOM 0 HA LEU B 75 4.424 5.626 -85.495 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.664 6.039 -87.601 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.300 4.414 -88.147 1.00 0.00 H new ATOM 0 HG LEU B 75 2.856 4.996 -88.179 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.226 7.363 -87.969 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.929 6.747 -86.455 1.00 0.00 H new ATOM 0 HD13 LEU B 75 3.901 7.775 -87.535 1.00 0.00 H new ATOM 0 HD21 LEU B 75 2.997 6.431 -90.167 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.684 6.830 -89.764 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.244 5.161 -90.198 1.00 0.00 H new ATOM 1348 N GLU B 76 2.645 3.940 -85.306 1.00 0.00 N ATOM 1349 CA GLU B 76 1.655 2.912 -85.010 1.00 0.00 C ATOM 1350 C GLU B 76 0.390 3.112 -85.835 1.00 0.00 C ATOM 1351 O GLU B 76 -0.176 4.205 -85.866 1.00 0.00 O ATOM 1352 CB GLU B 76 1.309 2.917 -83.520 1.00 0.00 C ATOM 1353 CG GLU B 76 0.245 1.906 -83.117 1.00 0.00 C ATOM 1354 CD GLU B 76 -0.135 2.002 -81.666 1.00 0.00 C ATOM 1355 OE1 GLU B 76 0.740 1.933 -80.837 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -1.301 2.146 -81.386 1.00 0.00 O ATOM 0 H GLU B 76 2.424 4.860 -84.924 1.00 0.00 H new ATOM 0 HA GLU B 76 2.088 1.947 -85.274 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.216 2.719 -82.948 1.00 0.00 H new ATOM 0 HB3 GLU B 76 0.969 3.914 -83.242 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -0.643 2.057 -83.730 1.00 0.00 H new ATOM 0 HG3 GLU B 76 0.609 0.900 -83.326 1.00 0.00 H new ATOM 1363 N LEU B 77 -0.049 2.050 -86.502 1.00 0.00 N ATOM 1364 CA LEU B 77 -1.275 2.094 -87.290 1.00 0.00 C ATOM 1365 C LEU B 77 -2.293 1.082 -86.781 1.00 0.00 C ATOM 1366 O LEU B 77 -1.968 -0.084 -86.561 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.966 1.819 -88.767 1.00 0.00 C ATOM 1368 CG LEU B 77 -0.056 2.842 -89.458 1.00 0.00 C ATOM 1369 CD1 LEU B 77 1.401 2.472 -89.216 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -0.370 2.879 -90.946 1.00 0.00 C ATOM 0 H LEU B 77 0.426 1.148 -86.513 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.702 3.092 -87.189 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.502 0.836 -88.845 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.908 1.771 -89.313 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.232 3.835 -89.045 1.00 0.00 H new ATOM 0 HD11 LEU B 77 2.047 3.199 -89.707 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.603 2.472 -88.145 1.00 0.00 H new ATOM 0 HD13 LEU B 77 1.597 1.480 -89.622 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.277 3.606 -91.436 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.201 1.893 -91.378 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -1.412 3.164 -91.091 1.00 0.00 H new ATOM 1382 N ASN B 78 -3.529 1.535 -86.596 1.00 0.00 N ATOM 1383 CA ASN B 78 -4.588 0.680 -86.075 1.00 0.00 C ATOM 1384 C ASN B 78 -5.712 0.513 -87.091 1.00 0.00 C ATOM 1385 O ASN B 78 -6.328 1.491 -87.515 1.00 0.00 O ATOM 1386 CB ASN B 78 -5.127 1.233 -84.769 1.00 0.00 C ATOM 1387 CG ASN B 78 -4.119 1.171 -83.655 1.00 0.00 C ATOM 1388 OD1 ASN B 78 -3.800 0.088 -83.150 1.00 0.00 O ATOM 1389 ND2 ASN B 78 -3.611 2.311 -83.263 1.00 0.00 N ATOM 0 H ASN B 78 -3.821 2.491 -86.800 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.160 -0.304 -85.884 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.436 2.268 -84.917 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.016 0.673 -84.481 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -2.922 2.331 -82.511 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -3.904 3.180 -83.709 1.00 0.00 H new ATOM 1396 N ILE B 79 -5.974 -0.730 -87.478 1.00 0.00 N ATOM 1397 CA ILE B 79 -6.975 -1.021 -88.497 1.00 0.00 C ATOM 1398 C ILE B 79 -8.219 -1.649 -87.882 1.00 0.00 C ATOM 1399 O ILE B 79 -8.132 -2.639 -87.155 1.00 0.00 O ATOM 1400 CB ILE B 79 -6.405 -1.959 -89.576 1.00 0.00 C ATOM 1401 CG1 ILE B 79 -5.188 -1.320 -90.250 1.00 0.00 C ATOM 1402 CG2 ILE B 79 -7.472 -2.296 -90.606 1.00 0.00 C ATOM 1403 CD1 ILE B 79 -4.427 -2.261 -91.156 1.00 0.00 C ATOM 0 H ILE B 79 -5.506 -1.554 -87.101 1.00 0.00 H new ATOM 0 HA ILE B 79 -7.252 -0.074 -88.960 1.00 0.00 H new ATOM 0 HB ILE B 79 -6.087 -2.885 -89.097 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -5.517 -0.458 -90.831 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -4.513 -0.946 -89.480 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -7.052 -2.960 -91.361 1.00 0.00 H new ATOM 0 HG22 ILE B 79 -8.310 -2.790 -90.114 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -7.821 -1.379 -91.082 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.579 -1.736 -91.597 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -4.066 -3.111 -90.577 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -5.086 -2.615 -91.949 1.00 0.00 H new ATOM 1415 N THR B 80 -9.378 -1.069 -88.178 1.00 0.00 N ATOM 1416 CA THR B 80 -10.642 -1.573 -87.658 1.00 0.00 C ATOM 1417 C THR B 80 -11.110 -2.797 -88.437 1.00 0.00 C ATOM 1418 O THR B 80 -11.464 -2.698 -89.612 1.00 0.00 O ATOM 1419 CB THR B 80 -11.732 -0.486 -87.700 1.00 0.00 C ATOM 1420 OG1 THR B 80 -11.330 0.628 -86.891 1.00 0.00 O ATOM 1421 CG2 THR B 80 -13.053 -1.035 -87.181 1.00 0.00 C ATOM 0 H THR B 80 -9.467 -0.248 -88.777 1.00 0.00 H new ATOM 0 HA THR B 80 -10.472 -1.861 -86.621 1.00 0.00 H new ATOM 0 HB THR B 80 -11.865 -0.165 -88.733 1.00 0.00 H new ATOM 0 HG1 THR B 80 -10.815 1.259 -87.436 1.00 0.00 H new ATOM 0 HG21 THR B 80 -13.812 -0.253 -87.218 1.00 0.00 H new ATOM 0 HG22 THR B 80 -13.367 -1.875 -87.801 1.00 0.00 H new ATOM 0 HG23 THR B 80 -12.928 -1.371 -86.152 1.00 0.00 H new ATOM 1429 N LEU B 81 -11.109 -3.948 -87.776 1.00 0.00 N ATOM 1430 CA LEU B 81 -11.498 -5.199 -88.416 1.00 0.00 C ATOM 1431 C LEU B 81 -12.607 -5.895 -87.637 1.00 0.00 C ATOM 1432 O LEU B 81 -12.346 -6.597 -86.660 1.00 0.00 O ATOM 1433 CB LEU B 81 -10.286 -6.132 -88.535 1.00 0.00 C ATOM 1434 CG LEU B 81 -9.095 -5.580 -89.329 1.00 0.00 C ATOM 1435 CD1 LEU B 81 -7.895 -6.499 -89.152 1.00 0.00 C ATOM 1436 CD2 LEU B 81 -9.478 -5.455 -90.796 1.00 0.00 C ATOM 0 H LEU B 81 -10.843 -4.041 -86.796 1.00 0.00 H new ATOM 0 HA LEU B 81 -11.873 -4.963 -89.412 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -9.944 -6.383 -87.531 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.611 -7.061 -89.003 1.00 0.00 H new ATOM 0 HG LEU B 81 -8.826 -4.591 -88.958 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -7.049 -6.106 -89.716 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.632 -6.554 -88.096 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -8.143 -7.496 -89.517 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -8.632 -5.063 -91.361 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -9.751 -6.436 -91.186 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.326 -4.777 -90.894 1.00 0.00 H new TER 1448 LEU B 81