USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 898 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 25 THR OG1 : rot 180:sc= -0.0342 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.0394 USER MOD Set 2.1: A 72 LYS NZ :NH3+ 145:sc= 1.33 (180deg=0.785) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.314 USER MOD Set 3.1: A 77 ASN : amide:sc= 1.4 K(o=2.3,f=-12!) USER MOD Set 3.2: A 79 LYS NZ :NH3+ -140:sc= 0.928 (180deg=0) USER MOD Set 4.1: A 26 ASN : amide:sc= -0.0721 X(o=-0.52,f=-0.068) USER MOD Set 4.2: A 29 GLN : amide:sc= -0.452 K(o=-0.52,f=-3.3!) USER MOD Set 5.1: A 4 LYS NZ :NH3+ -169:sc= 0.0854 (180deg=-0.375) USER MOD Set 5.2: A 6 TYR OH : rot 180:sc= 0.265 USER MOD Single : A 3 MET CE :methyl -150:sc= 0 (180deg=-1.03) USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 0.0722 (180deg=0.0131) USER MOD Single : A 7 THR OG1 : rot -144:sc= 0.805 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.81 USER MOD Single : A 10 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 27 HIS : no HD1:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00293 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 136:sc= 1.37 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -89:sc= 0.0114 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -29:sc= 0.0932 USER MOD Single : A 88 ASN : amide:sc= 0.503 K(o=0.5,f=-0.31) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.16) USER MOD Single : A 100 MET CE :methyl 175:sc= -1.07 (180deg=-1.17) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 118 GLN : amide:sc= -0.794 K(o=-0.79,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 12.121 -2.236 -8.593 1.00 0.00 N ATOM 41 CA MET A 3 12.082 -3.312 -7.606 1.00 0.00 C ATOM 42 C MET A 3 10.762 -3.265 -6.834 1.00 0.00 C ATOM 43 O MET A 3 10.101 -2.226 -6.799 1.00 0.00 O ATOM 44 CB MET A 3 13.296 -3.143 -6.682 1.00 0.00 C ATOM 45 CG MET A 3 13.284 -1.838 -5.880 1.00 0.00 C ATOM 46 SD MET A 3 14.865 -0.973 -5.695 1.00 0.00 S ATOM 47 CE MET A 3 15.967 -2.322 -5.209 1.00 0.00 C ATOM 0 HA MET A 3 12.132 -4.289 -8.086 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.334 -3.984 -5.990 1.00 0.00 H new ATOM 0 HB3 MET A 3 14.206 -3.182 -7.281 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.578 -1.156 -6.353 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.898 -2.056 -4.884 1.00 0.00 H new ATOM 0 HE1 MET A 3 16.762 -1.931 -4.574 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.401 -3.075 -4.660 1.00 0.00 H new ATOM 0 HE3 MET A 3 16.403 -2.774 -6.100 1.00 0.00 H new ATOM 57 N LYS A 4 10.337 -4.373 -6.220 1.00 0.00 N ATOM 58 CA LYS A 4 8.978 -4.494 -5.694 1.00 0.00 C ATOM 59 C LYS A 4 8.920 -5.604 -4.651 1.00 0.00 C ATOM 60 O LYS A 4 9.299 -6.738 -4.942 1.00 0.00 O ATOM 61 CB LYS A 4 8.035 -4.735 -6.890 1.00 0.00 C ATOM 62 CG LYS A 4 6.710 -5.413 -6.529 1.00 0.00 C ATOM 63 CD LYS A 4 5.709 -5.294 -7.688 1.00 0.00 C ATOM 64 CE LYS A 4 4.291 -5.003 -7.200 1.00 0.00 C ATOM 65 NZ LYS A 4 3.802 -6.008 -6.244 1.00 0.00 N ATOM 0 H LYS A 4 10.917 -5.199 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 4 8.661 -3.585 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.821 -3.778 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.553 -5.348 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.884 -6.464 -6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.293 -4.954 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.029 -4.500 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.710 -6.220 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.267 -4.019 -6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.617 -4.964 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.783 -5.872 -6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.970 -6.961 -6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.307 -5.903 -5.341 1.00 0.00 H new ATOM 79 N LYS A 5 8.443 -5.282 -3.443 1.00 0.00 N ATOM 80 CA LYS A 5 8.194 -6.249 -2.366 1.00 0.00 C ATOM 81 C LYS A 5 6.755 -6.079 -1.832 1.00 0.00 C ATOM 82 O LYS A 5 5.991 -5.282 -2.385 1.00 0.00 O ATOM 83 CB LYS A 5 9.311 -6.158 -1.296 1.00 0.00 C ATOM 84 CG LYS A 5 10.737 -6.391 -1.840 1.00 0.00 C ATOM 85 CD LYS A 5 11.247 -7.838 -1.886 1.00 0.00 C ATOM 86 CE LYS A 5 11.942 -8.130 -3.232 1.00 0.00 C ATOM 87 NZ LYS A 5 13.313 -7.578 -3.340 1.00 0.00 N ATOM 0 H LYS A 5 8.215 -4.323 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 5 8.245 -7.271 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.270 -5.174 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.109 -6.891 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.783 -5.985 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.429 -5.809 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.945 -8.009 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.414 -8.527 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.984 -9.209 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.333 -7.721 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.863 -8.144 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.266 -6.593 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.774 -7.609 -2.408 1.00 0.00 H new ATOM 101 N TYR A 6 6.354 -6.838 -0.809 1.00 0.00 N ATOM 102 CA TYR A 6 4.991 -6.903 -0.245 1.00 0.00 C ATOM 103 C TYR A 6 5.026 -6.846 1.296 1.00 0.00 C ATOM 104 O TYR A 6 6.118 -6.810 1.858 1.00 0.00 O ATOM 105 CB TYR A 6 4.342 -8.218 -0.701 1.00 0.00 C ATOM 106 CG TYR A 6 4.160 -8.384 -2.200 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.231 -8.798 -3.014 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.896 -8.190 -2.778 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.060 -8.992 -4.393 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.702 -8.426 -4.148 1.00 0.00 C ATOM 111 CZ TYR A 6 3.779 -8.835 -4.966 1.00 0.00 C ATOM 112 OH TYR A 6 3.598 -8.989 -6.310 1.00 0.00 O ATOM 0 H TYR A 6 7.000 -7.459 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 6 4.414 -6.048 -0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.949 -9.046 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.365 -8.303 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.200 -8.969 -2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.070 -7.858 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.903 -9.260 -5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.721 -8.294 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 6 2.654 -8.846 -6.531 1.00 0.00 H new ATOM 122 N THR A 7 3.887 -6.884 2.011 1.00 0.00 N ATOM 123 CA THR A 7 3.858 -7.046 3.467 1.00 0.00 C ATOM 124 C THR A 7 2.754 -8.002 3.912 1.00 0.00 C ATOM 125 O THR A 7 1.929 -8.444 3.115 1.00 0.00 O ATOM 126 CB THR A 7 3.729 -5.698 4.211 1.00 0.00 C ATOM 127 OG1 THR A 7 2.403 -5.230 4.266 1.00 0.00 O ATOM 128 CG2 THR A 7 4.637 -4.603 3.684 1.00 0.00 C ATOM 0 H THR A 7 2.962 -6.803 1.590 1.00 0.00 H new ATOM 0 HA THR A 7 4.820 -7.482 3.737 1.00 0.00 H new ATOM 0 HB THR A 7 4.062 -5.931 5.222 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.398 -4.253 4.194 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.482 -3.692 4.262 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.677 -4.918 3.774 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.406 -4.411 2.636 1.00 0.00 H new ATOM 136 N LYS A 8 2.759 -8.305 5.215 1.00 0.00 N ATOM 137 CA LYS A 8 1.825 -9.187 5.926 1.00 0.00 C ATOM 138 C LYS A 8 0.512 -8.486 6.305 1.00 0.00 C ATOM 139 O LYS A 8 -0.378 -9.125 6.867 1.00 0.00 O ATOM 140 CB LYS A 8 2.473 -9.767 7.203 1.00 0.00 C ATOM 141 CG LYS A 8 3.663 -10.722 7.016 1.00 0.00 C ATOM 142 CD LYS A 8 4.919 -10.226 7.737 1.00 0.00 C ATOM 143 CE LYS A 8 5.482 -9.081 6.912 1.00 0.00 C ATOM 144 NZ LYS A 8 6.759 -8.574 7.455 1.00 0.00 N ATOM 0 H LYS A 8 3.462 -7.915 5.843 1.00 0.00 H new ATOM 0 HA LYS A 8 1.588 -9.992 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.803 -8.933 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.701 -10.295 7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.397 -11.710 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.876 -10.832 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.678 -9.892 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.651 -11.028 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.633 -9.416 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.756 -8.269 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.104 -7.794 6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.611 -8.230 8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.462 -9.341 7.463 1.00 0.00 H new ATOM 158 N THR A 9 0.361 -7.189 6.027 1.00 0.00 N ATOM 159 CA THR A 9 -0.936 -6.520 6.052 1.00 0.00 C ATOM 160 C THR A 9 -1.385 -6.371 4.594 1.00 0.00 C ATOM 161 O THR A 9 -1.822 -5.289 4.200 1.00 0.00 O ATOM 162 CB THR A 9 -0.906 -5.222 6.904 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.088 -4.462 6.752 1.00 0.00 O ATOM 164 CG2 THR A 9 0.268 -4.308 6.559 1.00 0.00 C ATOM 0 H THR A 9 1.137 -6.575 5.778 1.00 0.00 H new ATOM 0 HA THR A 9 -1.695 -7.106 6.570 1.00 0.00 H new ATOM 0 HB THR A 9 -0.805 -5.572 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.418 -4.550 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.234 -3.418 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.205 -4.838 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.205 -4.014 5.511 1.00 0.00 H new ATOM 172 N HIS A 10 -1.311 -7.457 3.801 1.00 0.00 N ATOM 173 CA HIS A 10 -1.908 -7.571 2.476 1.00 0.00 C ATOM 174 C HIS A 10 -1.639 -6.330 1.636 1.00 0.00 C ATOM 175 O HIS A 10 -2.556 -5.651 1.171 1.00 0.00 O ATOM 176 CB HIS A 10 -3.388 -7.958 2.615 1.00 0.00 C ATOM 177 CG HIS A 10 -4.185 -7.118 3.574 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.611 -5.834 3.329 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.601 -7.487 4.823 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.344 -5.451 4.386 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.324 -6.422 5.321 1.00 0.00 N ATOM 0 H HIS A 10 -0.815 -8.302 4.084 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.434 -8.376 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.855 -7.900 1.632 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.446 -8.998 2.935 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.408 -5.277 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.403 -8.425 5.321 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.868 -4.511 4.474 1.00 0.00 H new ATOM 190 N GLU A 11 -0.357 -6.015 1.469 1.00 0.00 N ATOM 191 CA GLU A 11 0.120 -4.752 0.926 1.00 0.00 C ATOM 192 C GLU A 11 1.176 -5.053 -0.131 1.00 0.00 C ATOM 193 O GLU A 11 1.897 -6.051 -0.024 1.00 0.00 O ATOM 194 CB GLU A 11 0.759 -3.964 2.071 1.00 0.00 C ATOM 195 CG GLU A 11 0.794 -2.439 1.941 1.00 0.00 C ATOM 196 CD GLU A 11 1.553 -1.819 3.128 1.00 0.00 C ATOM 197 OE1 GLU A 11 2.332 -2.550 3.801 1.00 0.00 O ATOM 198 OE2 GLU A 11 1.382 -0.597 3.321 1.00 0.00 O ATOM 0 H GLU A 11 0.399 -6.653 1.716 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.694 -4.180 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.227 -4.212 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.784 -4.316 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.277 -2.158 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.222 -2.047 1.906 1.00 0.00 H new ATOM 205 N TRP A 12 1.324 -4.155 -1.098 1.00 0.00 N ATOM 206 CA TRP A 12 2.413 -4.171 -2.069 1.00 0.00 C ATOM 207 C TRP A 12 3.188 -2.847 -2.074 1.00 0.00 C ATOM 208 O TRP A 12 2.694 -1.814 -1.626 1.00 0.00 O ATOM 209 CB TRP A 12 1.849 -4.512 -3.452 1.00 0.00 C ATOM 210 CG TRP A 12 0.757 -3.615 -3.947 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.563 -3.896 -3.916 1.00 0.00 C ATOM 212 CD2 TRP A 12 0.866 -2.301 -4.569 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.275 -2.847 -4.456 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.439 -1.857 -4.921 1.00 0.00 C ATOM 215 CE3 TRP A 12 1.934 -1.444 -4.900 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.663 -0.665 -5.626 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.721 -0.252 -5.609 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.431 0.121 -6.004 1.00 0.00 C ATOM 0 H TRP A 12 0.676 -3.378 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 12 3.132 -4.940 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.666 -4.491 -4.173 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.472 -5.534 -3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.996 -4.806 -3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.293 -2.809 -4.505 1.00 0.00 H new ATOM 0 HE3 TRP A 12 2.937 -1.710 -4.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.668 -0.358 -5.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.560 0.383 -5.852 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.281 1.011 -6.597 1.00 0.00 H new ATOM 229 N VAL A 13 4.394 -2.883 -2.643 1.00 0.00 N ATOM 230 CA VAL A 13 5.288 -1.760 -2.923 1.00 0.00 C ATOM 231 C VAL A 13 5.607 -1.780 -4.427 1.00 0.00 C ATOM 232 O VAL A 13 5.405 -2.797 -5.087 1.00 0.00 O ATOM 233 CB VAL A 13 6.535 -1.903 -2.010 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.886 -1.444 -2.562 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.259 -1.265 -0.651 1.00 0.00 C ATOM 0 H VAL A 13 4.802 -3.768 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 13 4.844 -0.789 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 13 6.670 -2.982 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.660 -1.606 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.125 -2.015 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.837 -0.384 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.138 -1.369 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.031 -0.208 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.411 -1.762 -0.181 1.00 0.00 H new ATOM 245 N SER A 14 6.087 -0.663 -4.970 1.00 0.00 N ATOM 246 CA SER A 14 6.516 -0.487 -6.349 1.00 0.00 C ATOM 247 C SER A 14 7.567 0.618 -6.364 1.00 0.00 C ATOM 248 O SER A 14 7.220 1.800 -6.357 1.00 0.00 O ATOM 249 CB SER A 14 5.329 -0.043 -7.198 1.00 0.00 C ATOM 250 OG SER A 14 4.926 -1.035 -8.122 1.00 0.00 O ATOM 0 H SER A 14 6.192 0.192 -4.424 1.00 0.00 H new ATOM 0 HA SER A 14 6.916 -1.420 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.491 0.204 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.592 0.867 -7.738 1.00 0.00 H new ATOM 0 HG SER A 14 4.163 -0.707 -8.642 1.00 0.00 H new ATOM 256 N ILE A 15 8.842 0.259 -6.303 1.00 0.00 N ATOM 257 CA ILE A 15 9.941 1.208 -6.273 1.00 0.00 C ATOM 258 C ILE A 15 10.464 1.297 -7.687 1.00 0.00 C ATOM 259 O ILE A 15 11.256 0.465 -8.126 1.00 0.00 O ATOM 260 CB ILE A 15 10.960 0.814 -5.195 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.319 1.118 -3.836 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.312 1.542 -5.305 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.805 0.175 -2.753 1.00 0.00 C ATOM 0 H ILE A 15 9.144 -0.715 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 15 9.642 2.212 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 15 11.192 -0.243 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.546 2.145 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.235 1.043 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.973 1.205 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.767 1.320 -6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.155 2.617 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.324 0.428 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.555 -0.851 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.886 0.269 -2.647 1.00 0.00 H new ATOM 275 N GLU A 16 9.970 2.294 -8.420 1.00 0.00 N ATOM 276 CA GLU A 16 10.464 2.541 -9.761 1.00 0.00 C ATOM 277 C GLU A 16 11.807 3.269 -9.695 1.00 0.00 C ATOM 278 O GLU A 16 12.752 2.808 -10.329 1.00 0.00 O ATOM 279 CB GLU A 16 9.397 3.180 -10.670 1.00 0.00 C ATOM 280 CG GLU A 16 8.780 4.505 -10.190 1.00 0.00 C ATOM 281 CD GLU A 16 7.603 4.950 -11.071 1.00 0.00 C ATOM 282 OE1 GLU A 16 6.745 4.091 -11.403 1.00 0.00 O ATOM 283 OE2 GLU A 16 7.488 6.158 -11.380 1.00 0.00 O ATOM 0 H GLU A 16 9.238 2.932 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 16 10.668 1.593 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.843 3.348 -11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.591 2.459 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.439 4.393 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.545 5.281 -10.190 1.00 0.00 H new ATOM 290 N ASP A 17 11.923 4.358 -8.928 1.00 0.00 N ATOM 291 CA ASP A 17 13.109 5.228 -8.940 1.00 0.00 C ATOM 292 C ASP A 17 13.656 5.393 -7.519 1.00 0.00 C ATOM 293 O ASP A 17 14.695 4.818 -7.196 1.00 0.00 O ATOM 294 CB ASP A 17 12.786 6.571 -9.630 1.00 0.00 C ATOM 295 CG ASP A 17 13.566 6.770 -10.934 1.00 0.00 C ATOM 296 OD1 ASP A 17 13.368 6.010 -11.913 1.00 0.00 O ATOM 297 OD2 ASP A 17 14.375 7.716 -11.026 1.00 0.00 O ATOM 0 H ASP A 17 11.197 4.664 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 17 13.901 4.764 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.717 6.619 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.014 7.389 -8.947 1.00 0.00 H new ATOM 302 N LYS A 18 12.947 6.142 -6.660 1.00 0.00 N ATOM 303 CA LYS A 18 13.308 6.413 -5.256 1.00 0.00 C ATOM 304 C LYS A 18 12.090 6.355 -4.334 1.00 0.00 C ATOM 305 O LYS A 18 12.146 6.812 -3.192 1.00 0.00 O ATOM 306 CB LYS A 18 13.952 7.806 -5.128 1.00 0.00 C ATOM 307 CG LYS A 18 15.205 7.994 -5.991 1.00 0.00 C ATOM 308 CD LYS A 18 15.785 9.403 -5.846 1.00 0.00 C ATOM 309 CE LYS A 18 14.990 10.445 -6.651 1.00 0.00 C ATOM 310 NZ LYS A 18 14.570 11.606 -5.842 1.00 0.00 N ATOM 0 H LYS A 18 12.074 6.593 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 18 14.014 5.639 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.217 8.562 -5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.213 7.980 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.958 7.259 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.959 7.808 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.789 9.686 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.823 9.403 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.599 10.793 -7.485 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.107 9.969 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.039 12.272 -6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.964 11.284 -5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.410 12.082 -5.455 1.00 0.00 H new ATOM 324 N VAL A 19 10.959 5.879 -4.841 1.00 0.00 N ATOM 325 CA VAL A 19 9.661 6.092 -4.239 1.00 0.00 C ATOM 326 C VAL A 19 8.904 4.782 -4.416 1.00 0.00 C ATOM 327 O VAL A 19 8.766 4.335 -5.553 1.00 0.00 O ATOM 328 CB VAL A 19 8.977 7.298 -4.928 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.610 7.592 -4.311 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.812 8.587 -4.841 1.00 0.00 C ATOM 0 H VAL A 19 10.924 5.325 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 19 9.706 6.340 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 19 8.873 7.008 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.158 8.444 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.966 6.720 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.730 7.822 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.282 9.398 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.971 8.848 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.776 8.430 -5.326 1.00 0.00 H new ATOM 340 N ALA A 20 8.461 4.147 -3.324 1.00 0.00 N ATOM 341 CA ALA A 20 7.487 3.064 -3.393 1.00 0.00 C ATOM 342 C ALA A 20 6.127 3.707 -3.543 1.00 0.00 C ATOM 343 O ALA A 20 5.659 4.424 -2.656 1.00 0.00 O ATOM 344 CB ALA A 20 7.504 2.173 -2.139 1.00 0.00 C ATOM 0 H ALA A 20 8.768 4.371 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 20 7.730 2.415 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.760 1.383 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.492 1.728 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.272 2.776 -1.261 1.00 0.00 H new ATOM 350 N THR A 21 5.477 3.389 -4.648 1.00 0.00 N ATOM 351 CA THR A 21 4.022 3.415 -4.697 1.00 0.00 C ATOM 352 C THR A 21 3.533 2.280 -3.794 1.00 0.00 C ATOM 353 O THR A 21 4.125 1.195 -3.818 1.00 0.00 O ATOM 354 CB THR A 21 3.554 3.284 -6.156 1.00 0.00 C ATOM 355 OG1 THR A 21 4.165 4.309 -6.904 1.00 0.00 O ATOM 356 CG2 THR A 21 2.036 3.401 -6.330 1.00 0.00 C ATOM 0 H THR A 21 5.928 3.111 -5.520 1.00 0.00 H new ATOM 0 HA THR A 21 3.604 4.355 -4.335 1.00 0.00 H new ATOM 0 HB THR A 21 3.837 2.288 -6.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.882 4.244 -7.840 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.782 3.299 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.543 2.614 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.702 4.374 -5.969 1.00 0.00 H new ATOM 364 N VAL A 22 2.504 2.541 -2.988 1.00 0.00 N ATOM 365 CA VAL A 22 1.890 1.588 -2.072 1.00 0.00 C ATOM 366 C VAL A 22 0.397 1.448 -2.393 1.00 0.00 C ATOM 367 O VAL A 22 -0.295 2.433 -2.669 1.00 0.00 O ATOM 368 CB VAL A 22 2.108 2.075 -0.623 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.683 1.024 0.412 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.579 2.463 -0.373 1.00 0.00 C ATOM 0 H VAL A 22 2.060 3.459 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 22 2.350 0.606 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 22 1.477 2.956 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.855 1.412 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.624 0.798 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.268 0.115 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.696 2.801 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.218 1.597 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.864 3.266 -1.053 1.00 0.00 H new ATOM 380 N GLY A 23 -0.114 0.227 -2.269 1.00 0.00 N ATOM 381 CA GLY A 23 -1.527 -0.108 -2.286 1.00 0.00 C ATOM 382 C GLY A 23 -1.718 -1.449 -1.582 1.00 0.00 C ATOM 383 O GLY A 23 -0.742 -2.085 -1.164 1.00 0.00 O ATOM 0 H GLY A 23 0.479 -0.594 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.106 0.668 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.890 -0.164 -3.312 1.00 0.00 H new ATOM 387 N ILE A 24 -2.969 -1.893 -1.439 1.00 0.00 N ATOM 388 CA ILE A 24 -3.262 -3.215 -0.890 1.00 0.00 C ATOM 389 C ILE A 24 -3.497 -4.224 -2.010 1.00 0.00 C ATOM 390 O ILE A 24 -3.781 -3.865 -3.147 1.00 0.00 O ATOM 391 CB ILE A 24 -4.392 -3.184 0.157 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.660 -2.464 -0.337 1.00 0.00 C ATOM 393 CG2 ILE A 24 -3.855 -2.550 1.452 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.916 -2.814 0.475 1.00 0.00 C ATOM 0 H ILE A 24 -3.795 -1.354 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.384 -3.552 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.701 -4.212 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.497 -1.387 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.830 -2.719 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.648 -2.523 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.021 -3.142 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.516 -1.535 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.772 -2.272 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.103 -3.886 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.765 -2.533 1.517 1.00 0.00 H new ATOM 406 N THR A 25 -3.295 -5.498 -1.698 1.00 0.00 N ATOM 407 CA THR A 25 -3.409 -6.618 -2.629 1.00 0.00 C ATOM 408 C THR A 25 -4.875 -6.989 -2.932 1.00 0.00 C ATOM 409 O THR A 25 -5.813 -6.542 -2.271 1.00 0.00 O ATOM 410 CB THR A 25 -2.610 -7.795 -2.037 1.00 0.00 C ATOM 411 OG1 THR A 25 -3.025 -8.047 -0.710 1.00 0.00 O ATOM 412 CG2 THR A 25 -1.108 -7.463 -2.043 1.00 0.00 C ATOM 0 H THR A 25 -3.038 -5.792 -0.756 1.00 0.00 H new ATOM 0 HA THR A 25 -2.994 -6.339 -3.597 1.00 0.00 H new ATOM 0 HB THR A 25 -2.791 -8.681 -2.646 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.512 -8.798 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.549 -8.299 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.779 -7.284 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.930 -6.570 -1.443 1.00 0.00 H new ATOM 420 N ASN A 26 -5.094 -7.851 -3.927 1.00 0.00 N ATOM 421 CA ASN A 26 -6.424 -8.324 -4.337 1.00 0.00 C ATOM 422 C ASN A 26 -7.030 -9.269 -3.288 1.00 0.00 C ATOM 423 O ASN A 26 -8.252 -9.354 -3.176 1.00 0.00 O ATOM 424 CB ASN A 26 -6.307 -9.027 -5.705 1.00 0.00 C ATOM 425 CG ASN A 26 -7.532 -8.941 -6.617 1.00 0.00 C ATOM 426 OD1 ASN A 26 -7.371 -8.938 -7.831 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.752 -8.897 -6.118 1.00 0.00 N ATOM 0 H ASN A 26 -4.338 -8.250 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.094 -7.468 -4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.455 -8.603 -6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.083 -10.079 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.558 -8.861 -6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.890 -8.899 -5.107 1.00 0.00 H new ATOM 434 N HIS A 27 -6.209 -9.930 -2.465 1.00 0.00 N ATOM 435 CA HIS A 27 -6.684 -10.661 -1.286 1.00 0.00 C ATOM 436 C HIS A 27 -7.300 -9.701 -0.255 1.00 0.00 C ATOM 437 O HIS A 27 -8.241 -10.069 0.435 1.00 0.00 O ATOM 438 CB HIS A 27 -5.517 -11.491 -0.724 1.00 0.00 C ATOM 439 CG HIS A 27 -5.809 -12.418 0.436 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.682 -13.799 0.441 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.061 -12.029 1.720 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.819 -14.232 1.707 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.053 -13.171 2.496 1.00 0.00 N ATOM 0 H HIS A 27 -5.199 -9.973 -2.597 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.486 -11.347 -1.559 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.109 -12.090 -1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.733 -10.800 -0.413 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.234 -11.020 2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.752 -15.259 2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.201 -13.203 3.505 1.00 0.00 H new ATOM 452 N ALA A 28 -6.834 -8.450 -0.175 1.00 0.00 N ATOM 453 CA ALA A 28 -7.345 -7.480 0.788 1.00 0.00 C ATOM 454 C ALA A 28 -8.779 -7.059 0.486 1.00 0.00 C ATOM 455 O ALA A 28 -9.628 -6.995 1.376 1.00 0.00 O ATOM 456 CB ALA A 28 -6.462 -6.243 0.762 1.00 0.00 C ATOM 0 H ALA A 28 -6.094 -8.086 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.334 -7.956 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.837 -5.513 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.441 -6.519 1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.474 -5.809 -0.238 1.00 0.00 H new ATOM 462 N GLN A 29 -9.045 -6.716 -0.775 1.00 0.00 N ATOM 463 CA GLN A 29 -10.373 -6.297 -1.200 1.00 0.00 C ATOM 464 C GLN A 29 -11.385 -7.441 -1.024 1.00 0.00 C ATOM 465 O GLN A 29 -12.575 -7.175 -0.871 1.00 0.00 O ATOM 466 CB GLN A 29 -10.288 -5.680 -2.605 1.00 0.00 C ATOM 467 CG GLN A 29 -9.922 -6.601 -3.761 1.00 0.00 C ATOM 468 CD GLN A 29 -11.055 -7.527 -4.163 1.00 0.00 C ATOM 469 OE1 GLN A 29 -12.062 -7.099 -4.699 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.899 -8.812 -3.918 1.00 0.00 N ATOM 0 H GLN A 29 -8.350 -6.722 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.762 -5.504 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.253 -5.225 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.555 -4.874 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.631 -5.998 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.054 -7.198 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.047 -9.146 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.631 -9.473 -4.178 1.00 0.00 H new ATOM 479 N GLU A 30 -10.909 -8.692 -0.929 1.00 0.00 N ATOM 480 CA GLU A 30 -11.706 -9.878 -0.635 1.00 0.00 C ATOM 481 C GLU A 30 -12.226 -9.923 0.815 1.00 0.00 C ATOM 482 O GLU A 30 -12.944 -10.862 1.171 1.00 0.00 O ATOM 483 CB GLU A 30 -10.903 -11.145 -1.005 1.00 0.00 C ATOM 484 CG GLU A 30 -11.499 -11.895 -2.202 1.00 0.00 C ATOM 485 CD GLU A 30 -12.891 -12.461 -1.918 1.00 0.00 C ATOM 486 OE1 GLU A 30 -12.979 -13.583 -1.369 1.00 0.00 O ATOM 487 OE2 GLU A 30 -13.888 -11.777 -2.248 1.00 0.00 O ATOM 0 H GLU A 30 -9.920 -8.906 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.604 -9.833 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.875 -10.865 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.868 -11.812 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.554 -11.220 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.832 -12.710 -2.482 1.00 0.00 H new ATOM 494 N GLN A 31 -11.919 -8.933 1.665 1.00 0.00 N ATOM 495 CA GLN A 31 -12.657 -8.662 2.893 1.00 0.00 C ATOM 496 C GLN A 31 -13.386 -7.320 2.929 1.00 0.00 C ATOM 497 O GLN A 31 -14.424 -7.205 3.578 1.00 0.00 O ATOM 498 CB GLN A 31 -11.843 -8.929 4.134 1.00 0.00 C ATOM 499 CG GLN A 31 -10.464 -8.343 4.129 1.00 0.00 C ATOM 500 CD GLN A 31 -9.687 -8.712 5.394 1.00 0.00 C ATOM 501 OE1 GLN A 31 -8.627 -9.331 5.341 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.187 -8.335 6.564 1.00 0.00 N ATOM 0 H GLN A 31 -11.140 -8.293 1.511 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.465 -9.394 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.384 -8.538 4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.762 -10.007 4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.921 -8.697 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.530 -7.258 4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.067 -7.821 6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.691 -8.559 7.427 1.00 0.00 H new ATOM 511 N LEU A 32 -12.846 -6.304 2.251 1.00 0.00 N ATOM 512 CA LEU A 32 -13.475 -4.979 2.212 1.00 0.00 C ATOM 513 C LEU A 32 -14.733 -4.954 1.352 1.00 0.00 C ATOM 514 O LEU A 32 -15.728 -4.356 1.768 1.00 0.00 O ATOM 515 CB LEU A 32 -12.508 -3.895 1.715 1.00 0.00 C ATOM 516 CG LEU A 32 -11.537 -3.420 2.813 1.00 0.00 C ATOM 517 CD1 LEU A 32 -10.111 -3.372 2.272 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.912 -2.032 3.358 1.00 0.00 C ATOM 0 H LEU A 32 -11.976 -6.372 1.722 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.754 -4.763 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.936 -4.282 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.080 -3.043 1.348 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.606 -4.138 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.435 -3.035 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.814 -4.367 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.064 -2.680 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.200 -1.739 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.888 -1.304 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.914 -2.067 3.785 1.00 0.00 H new ATOM 530 N GLY A 33 -14.671 -5.529 0.153 1.00 0.00 N ATOM 531 CA GLY A 33 -15.701 -5.380 -0.859 1.00 0.00 C ATOM 532 C GLY A 33 -15.889 -3.914 -1.234 1.00 0.00 C ATOM 533 O GLY A 33 -14.925 -3.138 -1.256 1.00 0.00 O ATOM 0 H GLY A 33 -13.892 -6.118 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.431 -5.954 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.642 -5.788 -0.489 1.00 0.00 H new ATOM 537 N ASP A 34 -17.133 -3.573 -1.561 1.00 0.00 N ATOM 538 CA ASP A 34 -17.615 -2.261 -1.978 1.00 0.00 C ATOM 539 C ASP A 34 -17.122 -1.182 -1.021 1.00 0.00 C ATOM 540 O ASP A 34 -17.535 -1.148 0.141 1.00 0.00 O ATOM 541 CB ASP A 34 -19.151 -2.259 -2.015 1.00 0.00 C ATOM 542 CG ASP A 34 -19.709 -2.941 -3.256 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.330 -4.097 -3.544 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.562 -2.327 -3.940 1.00 0.00 O ATOM 0 H ASP A 34 -17.887 -4.260 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.228 -2.048 -2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.533 -2.762 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.510 -1.230 -1.978 1.00 0.00 H new ATOM 549 N VAL A 35 -16.241 -0.293 -1.486 1.00 0.00 N ATOM 550 CA VAL A 35 -15.735 0.793 -0.659 1.00 0.00 C ATOM 551 C VAL A 35 -16.305 2.134 -1.099 1.00 0.00 C ATOM 552 O VAL A 35 -16.968 2.283 -2.127 1.00 0.00 O ATOM 553 CB VAL A 35 -14.227 0.686 -0.403 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.257 0.941 -1.516 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.781 1.454 0.843 1.00 0.00 C ATOM 0 H VAL A 35 -15.865 -0.308 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.120 0.697 0.356 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.162 -0.393 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.239 0.819 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.437 0.233 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.389 1.957 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.705 1.342 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.024 2.510 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.296 1.058 1.718 1.00 0.00 H new ATOM 565 N VAL A 36 -16.112 3.082 -0.202 1.00 0.00 N ATOM 566 CA VAL A 36 -16.897 4.278 -0.018 1.00 0.00 C ATOM 567 C VAL A 36 -16.010 5.361 0.582 1.00 0.00 C ATOM 568 O VAL A 36 -16.284 6.533 0.336 1.00 0.00 O ATOM 569 CB VAL A 36 -18.076 3.989 0.943 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.369 3.745 0.173 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.900 2.790 1.887 1.00 0.00 C ATOM 0 H VAL A 36 -15.343 3.027 0.465 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.292 4.608 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.109 4.891 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.178 3.545 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.612 4.627 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.242 2.888 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.787 2.685 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.760 1.882 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.027 2.951 2.520 1.00 0.00 H new ATOM 581 N TYR A 37 -14.973 4.987 1.343 1.00 0.00 N ATOM 582 CA TYR A 37 -14.026 5.950 1.893 1.00 0.00 C ATOM 583 C TYR A 37 -12.628 5.354 1.965 1.00 0.00 C ATOM 584 O TYR A 37 -12.474 4.182 2.315 1.00 0.00 O ATOM 585 CB TYR A 37 -14.436 6.401 3.303 1.00 0.00 C ATOM 586 CG TYR A 37 -13.478 7.446 3.843 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.329 8.666 3.156 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.625 7.143 4.922 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.329 9.573 3.530 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.618 8.048 5.303 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.458 9.262 4.597 1.00 0.00 C ATOM 592 OH TYR A 37 -10.482 10.147 4.942 1.00 0.00 O ATOM 0 H TYR A 37 -14.773 4.018 1.589 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.029 6.811 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.447 6.808 3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.455 5.541 3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.990 8.904 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.744 6.213 5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.224 10.510 3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.968 7.816 6.134 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.967 9.789 5.695 1.00 0.00 H new ATOM 602 N VAL A 38 -11.620 6.185 1.710 1.00 0.00 N ATOM 603 CA VAL A 38 -10.211 5.877 1.863 1.00 0.00 C ATOM 604 C VAL A 38 -9.534 7.085 2.476 1.00 0.00 C ATOM 605 O VAL A 38 -9.671 8.207 1.980 1.00 0.00 O ATOM 606 CB VAL A 38 -9.590 5.502 0.500 1.00 0.00 C ATOM 607 CG1 VAL A 38 -8.169 4.964 0.700 1.00 0.00 C ATOM 608 CG2 VAL A 38 -10.432 4.542 -0.359 1.00 0.00 C ATOM 0 H VAL A 38 -11.777 7.136 1.375 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.074 5.016 2.518 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.562 6.427 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.740 4.702 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.554 5.728 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.201 4.078 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.911 4.340 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.583 3.608 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.399 4.998 -0.573 1.00 0.00 H new ATOM 618 N ASP A 39 -8.836 6.842 3.583 1.00 0.00 N ATOM 619 CA ASP A 39 -7.958 7.823 4.168 1.00 0.00 C ATOM 620 C ASP A 39 -6.685 7.927 3.331 1.00 0.00 C ATOM 621 O ASP A 39 -6.158 6.918 2.860 1.00 0.00 O ATOM 622 CB ASP A 39 -7.647 7.474 5.637 1.00 0.00 C ATOM 623 CG ASP A 39 -6.532 8.339 6.231 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.670 9.582 6.172 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.563 7.778 6.793 1.00 0.00 O ATOM 0 H ASP A 39 -8.871 5.958 4.090 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.451 8.795 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.551 7.596 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.360 6.424 5.703 1.00 0.00 H new ATOM 630 N LEU A 40 -6.193 9.147 3.143 1.00 0.00 N ATOM 631 CA LEU A 40 -4.932 9.439 2.478 1.00 0.00 C ATOM 632 C LEU A 40 -4.165 10.447 3.342 1.00 0.00 C ATOM 633 O LEU A 40 -4.766 11.393 3.861 1.00 0.00 O ATOM 634 CB LEU A 40 -5.179 10.025 1.078 1.00 0.00 C ATOM 635 CG LEU A 40 -5.947 9.104 0.108 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.304 9.894 -1.154 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.103 7.885 -0.279 1.00 0.00 C ATOM 0 H LEU A 40 -6.678 9.986 3.460 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.355 8.522 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.733 10.957 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.217 10.275 0.631 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.851 8.752 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.847 9.250 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.928 10.746 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.391 10.249 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.669 7.253 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.186 8.217 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.853 7.317 0.617 1.00 0.00 H new ATOM 649 N PRO A 41 -2.845 10.288 3.491 1.00 0.00 N ATOM 650 CA PRO A 41 -2.029 11.141 4.343 1.00 0.00 C ATOM 651 C PRO A 41 -1.672 12.466 3.658 1.00 0.00 C ATOM 652 O PRO A 41 -2.069 12.725 2.520 1.00 0.00 O ATOM 653 CB PRO A 41 -0.806 10.287 4.663 1.00 0.00 C ATOM 654 CG PRO A 41 -0.663 9.343 3.467 1.00 0.00 C ATOM 655 CD PRO A 41 -2.053 9.244 2.867 1.00 0.00 C ATOM 0 HA PRO A 41 -2.551 11.451 5.248 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.084 10.903 4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.943 9.732 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.052 9.732 2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.299 8.364 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.019 9.376 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.488 8.262 3.055 1.00 0.00 H new ATOM 663 N GLU A 42 -0.915 13.323 4.355 1.00 0.00 N ATOM 664 CA GLU A 42 -0.246 14.464 3.744 1.00 0.00 C ATOM 665 C GLU A 42 0.960 13.968 2.935 1.00 0.00 C ATOM 666 O GLU A 42 1.673 13.063 3.374 1.00 0.00 O ATOM 667 CB GLU A 42 0.235 15.418 4.846 1.00 0.00 C ATOM 668 CG GLU A 42 0.767 16.753 4.286 1.00 0.00 C ATOM 669 CD GLU A 42 1.685 17.524 5.231 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.119 16.959 6.261 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.986 18.705 4.926 1.00 0.00 O ATOM 0 H GLU A 42 -0.753 13.239 5.359 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.938 14.988 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.588 15.619 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.021 14.932 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.307 16.553 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.082 17.387 4.029 1.00 0.00 H new ATOM 678 N VAL A 43 1.255 14.633 1.820 1.00 0.00 N ATOM 679 CA VAL A 43 2.343 14.403 0.865 1.00 0.00 C ATOM 680 C VAL A 43 3.769 14.691 1.401 1.00 0.00 C ATOM 681 O VAL A 43 4.724 14.886 0.657 1.00 0.00 O ATOM 682 CB VAL A 43 1.959 15.214 -0.399 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.524 16.635 -0.390 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.375 14.522 -1.688 1.00 0.00 C ATOM 0 H VAL A 43 0.682 15.426 1.532 1.00 0.00 H new ATOM 0 HA VAL A 43 2.429 13.340 0.642 1.00 0.00 H new ATOM 0 HB VAL A 43 0.871 15.274 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.221 17.153 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.142 17.173 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.612 16.594 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.081 15.134 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.456 14.385 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.886 13.550 -1.753 1.00 0.00 H new ATOM 694 N GLY A 44 3.924 14.736 2.711 1.00 0.00 N ATOM 695 CA GLY A 44 5.160 15.037 3.421 1.00 0.00 C ATOM 696 C GLY A 44 5.177 14.439 4.825 1.00 0.00 C ATOM 697 O GLY A 44 6.000 14.834 5.655 1.00 0.00 O ATOM 0 H GLY A 44 3.148 14.553 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.007 14.651 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.286 16.118 3.486 1.00 0.00 H new ATOM 701 N ARG A 45 4.257 13.522 5.146 1.00 0.00 N ATOM 702 CA ARG A 45 4.235 12.916 6.480 1.00 0.00 C ATOM 703 C ARG A 45 5.354 11.875 6.572 1.00 0.00 C ATOM 704 O ARG A 45 5.486 11.051 5.669 1.00 0.00 O ATOM 705 CB ARG A 45 2.849 12.315 6.742 1.00 0.00 C ATOM 706 CG ARG A 45 2.648 12.001 8.230 1.00 0.00 C ATOM 707 CD ARG A 45 1.253 11.418 8.444 1.00 0.00 C ATOM 708 NE ARG A 45 1.016 11.057 9.852 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.140 10.586 10.339 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.174 10.364 9.533 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.256 10.304 11.629 1.00 0.00 N ATOM 0 H ARG A 45 3.531 13.189 4.512 1.00 0.00 H new ATOM 0 HA ARG A 45 4.415 13.664 7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.080 13.011 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.729 11.403 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.405 11.294 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.770 12.907 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.504 12.143 8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.129 10.535 7.817 1.00 0.00 H new ATOM 0 HE ARG A 45 1.790 11.174 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.092 10.552 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.050 10.005 9.914 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.537 10.445 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.138 9.946 11.995 1.00 0.00 H new ATOM 725 N GLU A 46 6.152 11.878 7.638 1.00 0.00 N ATOM 726 CA GLU A 46 7.076 10.778 7.912 1.00 0.00 C ATOM 727 C GLU A 46 6.300 9.607 8.508 1.00 0.00 C ATOM 728 O GLU A 46 5.278 9.804 9.172 1.00 0.00 O ATOM 729 CB GLU A 46 8.186 11.212 8.883 1.00 0.00 C ATOM 730 CG GLU A 46 9.399 11.801 8.148 1.00 0.00 C ATOM 731 CD GLU A 46 10.753 11.363 8.745 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.037 10.139 8.818 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.588 12.238 9.076 1.00 0.00 O ATOM 0 H GLU A 46 6.178 12.630 8.327 1.00 0.00 H new ATOM 0 HA GLU A 46 7.545 10.478 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.790 11.952 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.504 10.355 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.359 11.502 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.335 12.889 8.172 1.00 0.00 H new ATOM 740 N VAL A 47 6.788 8.382 8.310 1.00 0.00 N ATOM 741 CA VAL A 47 6.182 7.178 8.864 1.00 0.00 C ATOM 742 C VAL A 47 7.253 6.159 9.271 1.00 0.00 C ATOM 743 O VAL A 47 8.447 6.302 8.981 1.00 0.00 O ATOM 744 CB VAL A 47 5.169 6.570 7.867 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.995 7.504 7.546 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.823 6.126 6.554 1.00 0.00 C ATOM 0 H VAL A 47 7.624 8.199 7.754 1.00 0.00 H new ATOM 0 HA VAL A 47 5.637 7.453 9.767 1.00 0.00 H new ATOM 0 HB VAL A 47 4.779 5.694 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.323 7.015 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.453 7.735 8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.374 8.426 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.064 5.707 5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.290 6.985 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.580 5.370 6.762 1.00 0.00 H new ATOM 756 N LYS A 48 6.791 5.081 9.900 1.00 0.00 N ATOM 757 CA LYS A 48 7.498 3.830 10.145 1.00 0.00 C ATOM 758 C LYS A 48 6.827 2.742 9.314 1.00 0.00 C ATOM 759 O LYS A 48 5.711 2.938 8.825 1.00 0.00 O ATOM 760 CB LYS A 48 7.354 3.492 11.634 1.00 0.00 C ATOM 761 CG LYS A 48 8.325 4.275 12.520 1.00 0.00 C ATOM 762 CD LYS A 48 7.907 4.146 13.991 1.00 0.00 C ATOM 763 CE LYS A 48 9.002 4.671 14.922 1.00 0.00 C ATOM 764 NZ LYS A 48 10.133 3.733 15.069 1.00 0.00 N ATOM 0 H LYS A 48 5.844 5.059 10.278 1.00 0.00 H new ATOM 0 HA LYS A 48 8.552 3.908 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.332 3.700 11.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.521 2.424 11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.339 3.897 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.334 5.325 12.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.984 4.701 14.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.698 3.102 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.373 5.621 14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.572 4.870 15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.842 4.142 15.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.789 2.834 15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.565 3.562 14.139 1.00 0.00 H new ATOM 778 N LYS A 49 7.442 1.562 9.238 1.00 0.00 N ATOM 779 CA LYS A 49 7.029 0.384 8.464 1.00 0.00 C ATOM 780 C LYS A 49 5.763 -0.311 8.962 1.00 0.00 C ATOM 781 O LYS A 49 5.515 -1.473 8.641 1.00 0.00 O ATOM 782 CB LYS A 49 8.234 -0.570 8.425 1.00 0.00 C ATOM 783 CG LYS A 49 8.448 -1.377 9.720 1.00 0.00 C ATOM 784 CD LYS A 49 7.982 -2.837 9.624 1.00 0.00 C ATOM 785 CE LYS A 49 7.134 -3.181 10.843 1.00 0.00 C ATOM 786 NZ LYS A 49 6.390 -4.436 10.651 1.00 0.00 N ATOM 0 H LYS A 49 8.306 1.388 9.752 1.00 0.00 H new ATOM 0 HA LYS A 49 6.744 0.714 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.105 -1.265 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.134 0.009 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.507 -1.360 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.914 -0.888 10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.404 -2.986 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.844 -3.502 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.776 -3.269 11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.434 -2.369 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.825 -4.638 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.759 -4.343 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.059 -5.215 10.488 1.00 0.00 H new ATOM 800 N GLY A 50 4.966 0.368 9.764 1.00 0.00 N ATOM 801 CA GLY A 50 3.694 -0.145 10.207 1.00 0.00 C ATOM 802 C GLY A 50 2.871 0.973 10.821 1.00 0.00 C ATOM 803 O GLY A 50 2.535 0.909 12.002 1.00 0.00 O ATOM 0 H GLY A 50 5.188 1.295 10.126 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.157 -0.584 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.847 -0.939 10.938 1.00 0.00 H new ATOM 807 N GLU A 51 2.589 2.019 10.053 1.00 0.00 N ATOM 808 CA GLU A 51 1.704 3.105 10.428 1.00 0.00 C ATOM 809 C GLU A 51 0.531 3.127 9.440 1.00 0.00 C ATOM 810 O GLU A 51 0.737 3.066 8.232 1.00 0.00 O ATOM 811 CB GLU A 51 2.504 4.411 10.363 1.00 0.00 C ATOM 812 CG GLU A 51 3.107 4.821 11.712 1.00 0.00 C ATOM 813 CD GLU A 51 2.886 6.313 11.965 1.00 0.00 C ATOM 814 OE1 GLU A 51 3.744 7.106 11.522 1.00 0.00 O ATOM 815 OE2 GLU A 51 1.866 6.688 12.594 1.00 0.00 O ATOM 0 H GLU A 51 2.986 2.134 9.121 1.00 0.00 H new ATOM 0 HA GLU A 51 1.312 2.980 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.306 4.302 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.854 5.210 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.651 4.239 12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.174 4.598 11.723 1.00 0.00 H new ATOM 822 N VAL A 52 -0.692 3.191 9.955 1.00 0.00 N ATOM 823 CA VAL A 52 -1.979 2.990 9.291 1.00 0.00 C ATOM 824 C VAL A 52 -2.449 4.189 8.448 1.00 0.00 C ATOM 825 O VAL A 52 -3.633 4.379 8.212 1.00 0.00 O ATOM 826 CB VAL A 52 -2.979 2.384 10.314 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.700 2.652 11.794 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.472 2.696 10.140 1.00 0.00 C ATOM 0 H VAL A 52 -0.822 3.406 10.944 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.882 2.250 8.497 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.781 1.345 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.470 2.176 12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.724 2.245 12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.707 3.727 11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.041 2.203 10.929 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.628 3.773 10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.809 2.333 9.169 1.00 0.00 H new ATOM 838 N VAL A 53 -1.533 4.993 7.935 1.00 0.00 N ATOM 839 CA VAL A 53 -1.788 6.277 7.286 1.00 0.00 C ATOM 840 C VAL A 53 -2.631 6.228 5.993 1.00 0.00 C ATOM 841 O VAL A 53 -2.648 7.212 5.256 1.00 0.00 O ATOM 842 CB VAL A 53 -0.427 6.950 7.036 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.295 7.247 8.351 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.478 6.095 6.133 1.00 0.00 C ATOM 0 H VAL A 53 -0.540 4.760 7.959 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.415 6.855 7.965 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.634 7.890 6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.253 7.722 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.316 7.915 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.463 6.316 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.429 6.606 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.657 5.130 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.009 5.942 5.170 1.00 0.00 H new ATOM 854 N ALA A 54 -3.277 5.108 5.666 1.00 0.00 N ATOM 855 CA ALA A 54 -4.226 4.993 4.579 1.00 0.00 C ATOM 856 C ALA A 54 -5.322 4.005 4.961 1.00 0.00 C ATOM 857 O ALA A 54 -5.546 3.007 4.275 1.00 0.00 O ATOM 858 CB ALA A 54 -3.469 4.557 3.334 1.00 0.00 C ATOM 0 H ALA A 54 -3.144 4.233 6.172 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.711 5.948 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.164 4.463 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.709 5.300 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.990 3.595 3.517 1.00 0.00 H new ATOM 864 N SER A 55 -5.963 4.240 6.103 1.00 0.00 N ATOM 865 CA SER A 55 -7.102 3.443 6.528 1.00 0.00 C ATOM 866 C SER A 55 -8.182 3.427 5.444 1.00 0.00 C ATOM 867 O SER A 55 -8.259 4.304 4.584 1.00 0.00 O ATOM 868 CB SER A 55 -7.651 4.013 7.837 1.00 0.00 C ATOM 869 OG SER A 55 -8.009 2.971 8.727 1.00 0.00 O ATOM 0 H SER A 55 -5.707 4.983 6.753 1.00 0.00 H new ATOM 0 HA SER A 55 -6.784 2.413 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.902 4.654 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.521 4.637 7.631 1.00 0.00 H new ATOM 0 HG SER A 55 -8.356 3.356 9.559 1.00 0.00 H new ATOM 875 N ILE A 56 -9.057 2.433 5.500 1.00 0.00 N ATOM 876 CA ILE A 56 -10.111 2.267 4.516 1.00 0.00 C ATOM 877 C ILE A 56 -11.358 1.840 5.280 1.00 0.00 C ATOM 878 O ILE A 56 -11.255 0.957 6.133 1.00 0.00 O ATOM 879 CB ILE A 56 -9.708 1.233 3.432 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.200 1.111 3.112 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.518 1.580 2.167 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.902 0.080 2.023 1.00 0.00 C ATOM 0 H ILE A 56 -9.054 1.720 6.230 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.298 3.197 3.979 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.939 0.245 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.821 2.083 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.662 0.838 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.269 0.878 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.583 1.515 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.275 2.593 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.828 0.041 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.252 -0.901 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.413 0.364 1.103 1.00 0.00 H new ATOM 894 N GLU A 57 -12.516 2.424 4.973 1.00 0.00 N ATOM 895 CA GLU A 57 -13.799 2.074 5.567 1.00 0.00 C ATOM 896 C GLU A 57 -14.767 1.809 4.436 1.00 0.00 C ATOM 897 O GLU A 57 -15.104 2.740 3.704 1.00 0.00 O ATOM 898 CB GLU A 57 -14.302 3.180 6.512 1.00 0.00 C ATOM 899 CG GLU A 57 -13.740 2.862 7.904 1.00 0.00 C ATOM 900 CD GLU A 57 -14.144 3.848 9.007 1.00 0.00 C ATOM 901 OE1 GLU A 57 -13.935 5.076 8.872 1.00 0.00 O ATOM 902 OE2 GLU A 57 -14.536 3.386 10.107 1.00 0.00 O ATOM 0 H GLU A 57 -12.586 3.174 4.285 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.701 1.181 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.966 4.160 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.392 3.206 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.068 1.863 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.652 2.835 7.843 1.00 0.00 H new ATOM 909 N SER A 58 -15.160 0.545 4.279 1.00 0.00 N ATOM 910 CA SER A 58 -16.059 0.041 3.254 1.00 0.00 C ATOM 911 C SER A 58 -17.477 -0.120 3.807 1.00 0.00 C ATOM 912 O SER A 58 -17.808 0.429 4.862 1.00 0.00 O ATOM 913 CB SER A 58 -15.446 -1.234 2.658 1.00 0.00 C ATOM 914 OG SER A 58 -15.592 -2.352 3.499 1.00 0.00 O ATOM 0 H SER A 58 -14.837 -0.194 4.904 1.00 0.00 H new ATOM 0 HA SER A 58 -16.169 0.752 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.917 -1.443 1.697 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.387 -1.066 2.464 1.00 0.00 H new ATOM 0 HG SER A 58 -15.876 -3.125 2.969 1.00 0.00 H new ATOM 920 N VAL A 59 -18.330 -0.864 3.100 1.00 0.00 N ATOM 921 CA VAL A 59 -19.681 -1.211 3.532 1.00 0.00 C ATOM 922 C VAL A 59 -19.750 -1.687 4.991 1.00 0.00 C ATOM 923 O VAL A 59 -20.729 -1.342 5.657 1.00 0.00 O ATOM 924 CB VAL A 59 -20.309 -2.222 2.552 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.762 -1.505 1.273 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.366 -3.388 2.201 1.00 0.00 C ATOM 0 H VAL A 59 -18.092 -1.251 2.187 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.275 -0.297 3.509 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.171 -2.657 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.204 -2.228 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.501 -0.745 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.903 -1.032 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.866 -4.064 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.461 -2.997 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.103 -3.929 3.110 1.00 0.00 H new ATOM 936 N LYS A 60 -18.739 -2.405 5.519 1.00 0.00 N ATOM 937 CA LYS A 60 -18.531 -2.524 6.972 1.00 0.00 C ATOM 938 C LYS A 60 -17.161 -3.085 7.393 1.00 0.00 C ATOM 939 O LYS A 60 -17.025 -3.501 8.550 1.00 0.00 O ATOM 940 CB LYS A 60 -19.683 -3.297 7.663 1.00 0.00 C ATOM 941 CG LYS A 60 -20.104 -2.549 8.937 1.00 0.00 C ATOM 942 CD LYS A 60 -21.386 -3.105 9.559 1.00 0.00 C ATOM 943 CE LYS A 60 -21.647 -2.317 10.844 1.00 0.00 C ATOM 944 NZ LYS A 60 -22.850 -2.762 11.567 1.00 0.00 N ATOM 0 H LYS A 60 -18.054 -2.911 4.958 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.538 -1.493 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.532 -3.390 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.360 -4.308 7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.298 -2.605 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -20.248 -1.494 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.224 -3.003 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.279 -4.168 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -20.782 -2.410 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.749 -1.260 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -22.970 -2.189 12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -23.684 -2.649 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -22.747 -3.763 11.830 1.00 0.00 H new ATOM 958 N ALA A 61 -16.151 -3.129 6.516 1.00 0.00 N ATOM 959 CA ALA A 61 -14.788 -3.415 6.949 1.00 0.00 C ATOM 960 C ALA A 61 -14.116 -2.081 7.225 1.00 0.00 C ATOM 961 O ALA A 61 -14.244 -1.156 6.424 1.00 0.00 O ATOM 962 CB ALA A 61 -13.992 -4.181 5.886 1.00 0.00 C ATOM 0 H ALA A 61 -16.255 -2.971 5.514 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.818 -4.046 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.984 -4.371 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.486 -5.129 5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.940 -3.588 4.973 1.00 0.00 H new ATOM 968 N ALA A 62 -13.350 -2.013 8.309 1.00 0.00 N ATOM 969 CA ALA A 62 -12.351 -0.981 8.529 1.00 0.00 C ATOM 970 C ALA A 62 -11.001 -1.680 8.423 1.00 0.00 C ATOM 971 O ALA A 62 -10.805 -2.715 9.070 1.00 0.00 O ATOM 972 CB ALA A 62 -12.555 -0.299 9.879 1.00 0.00 C ATOM 0 H ALA A 62 -13.410 -2.688 9.072 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.423 -0.180 7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.794 0.469 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.543 0.160 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.474 -1.038 10.676 1.00 0.00 H new ATOM 978 N ALA A 63 -10.116 -1.207 7.551 1.00 0.00 N ATOM 979 CA ALA A 63 -8.902 -1.906 7.160 1.00 0.00 C ATOM 980 C ALA A 63 -7.716 -0.960 7.280 1.00 0.00 C ATOM 981 O ALA A 63 -7.385 -0.239 6.342 1.00 0.00 O ATOM 982 CB ALA A 63 -9.061 -2.482 5.750 1.00 0.00 C ATOM 0 H ALA A 63 -10.228 -0.306 7.087 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.717 -2.749 7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.147 -3.004 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.898 -3.180 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.251 -1.672 5.046 1.00 0.00 H new ATOM 988 N ASP A 64 -7.065 -0.981 8.437 1.00 0.00 N ATOM 989 CA ASP A 64 -5.841 -0.247 8.728 1.00 0.00 C ATOM 990 C ASP A 64 -4.759 -0.678 7.734 1.00 0.00 C ATOM 991 O ASP A 64 -4.325 -1.836 7.766 1.00 0.00 O ATOM 992 CB ASP A 64 -5.383 -0.563 10.174 1.00 0.00 C ATOM 993 CG ASP A 64 -6.387 -0.300 11.307 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.079 0.745 11.314 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.527 -1.173 12.195 1.00 0.00 O ATOM 0 H ASP A 64 -7.390 -1.533 9.231 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.016 0.825 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.097 -1.614 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.485 0.020 10.378 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.387 0.178 6.774 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.329 -0.146 5.825 1.00 0.00 C ATOM 1002 C VAL A 65 -2.006 0.271 6.460 1.00 0.00 C ATOM 1003 O VAL A 65 -1.649 1.449 6.375 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.494 0.533 4.465 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.330 0.111 3.544 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.802 0.142 3.786 1.00 0.00 C ATOM 0 H VAL A 65 -4.806 1.098 6.639 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.367 -1.216 5.622 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.499 1.610 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.442 0.592 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.384 0.414 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.341 -0.971 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.877 0.647 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.824 -0.937 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.641 0.436 4.417 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.297 -0.630 7.147 1.00 0.00 N ATOM 1017 CA TYR A 66 -0.057 -0.218 7.793 1.00 0.00 C ATOM 1018 C TYR A 66 1.111 -0.210 6.815 1.00 0.00 C ATOM 1019 O TYR A 66 1.639 -1.264 6.466 1.00 0.00 O ATOM 1020 CB TYR A 66 0.314 -1.064 9.007 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.787 -1.359 9.980 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -1.557 -2.516 9.799 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.988 -0.530 11.095 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -2.505 -2.884 10.756 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.949 -0.884 12.056 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.690 -2.078 11.908 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.539 -2.441 12.904 1.00 0.00 O ATOM 0 H TYR A 66 -1.550 -1.611 7.266 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.251 0.795 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.718 -2.012 8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.116 -0.557 9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.417 -3.124 8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.408 0.373 11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.095 -3.778 10.619 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.122 -0.244 12.908 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.435 -2.092 12.713 1.00 0.00 H new ATOM 1037 N ALA A 67 1.557 1.000 6.501 1.00 0.00 N ATOM 1038 CA ALA A 67 2.565 1.351 5.521 1.00 0.00 C ATOM 1039 C ALA A 67 3.786 0.424 5.511 1.00 0.00 C ATOM 1040 O ALA A 67 4.259 0.036 6.583 1.00 0.00 O ATOM 1041 CB ALA A 67 3.034 2.759 5.857 1.00 0.00 C ATOM 0 H ALA A 67 1.188 1.828 6.968 1.00 0.00 H new ATOM 0 HA ALA A 67 2.112 1.264 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.797 3.068 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.189 3.446 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.452 2.773 6.864 1.00 0.00 H new ATOM 1047 N PRO A 68 4.462 0.223 4.370 1.00 0.00 N ATOM 1048 CA PRO A 68 5.347 -0.914 4.195 1.00 0.00 C ATOM 1049 C PRO A 68 6.753 -0.758 4.774 1.00 0.00 C ATOM 1050 O PRO A 68 7.295 -1.756 5.242 1.00 0.00 O ATOM 1051 CB PRO A 68 5.402 -1.144 2.683 1.00 0.00 C ATOM 1052 CG PRO A 68 5.198 0.262 2.119 1.00 0.00 C ATOM 1053 CD PRO A 68 4.220 0.880 3.105 1.00 0.00 C ATOM 0 HA PRO A 68 4.949 -1.759 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.356 -1.570 2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.624 -1.830 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.134 0.820 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.792 0.237 1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.376 1.956 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.191 0.732 2.779 1.00 0.00 H new ATOM 1061 N LEU A 69 7.366 0.426 4.722 1.00 0.00 N ATOM 1062 CA LEU A 69 8.778 0.658 5.034 1.00 0.00 C ATOM 1063 C LEU A 69 8.926 2.044 5.624 1.00 0.00 C ATOM 1064 O LEU A 69 8.369 2.981 5.057 1.00 0.00 O ATOM 1065 CB LEU A 69 9.623 0.693 3.758 1.00 0.00 C ATOM 1066 CG LEU A 69 9.805 -0.651 3.039 1.00 0.00 C ATOM 1067 CD1 LEU A 69 9.378 -0.526 1.575 1.00 0.00 C ATOM 1068 CD2 LEU A 69 11.260 -1.092 3.172 1.00 0.00 C ATOM 0 H LEU A 69 6.876 1.279 4.452 1.00 0.00 H new ATOM 0 HA LEU A 69 9.099 -0.139 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.167 1.397 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.608 1.086 4.008 1.00 0.00 H new ATOM 0 HG LEU A 69 9.172 -1.412 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.511 -1.485 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.329 -0.233 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.989 0.229 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.399 -2.046 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.910 -0.343 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.512 -1.202 4.227 1.00 0.00 H new ATOM 1080 N SER A 70 9.762 2.209 6.652 1.00 0.00 N ATOM 1081 CA SER A 70 10.113 3.538 7.132 1.00 0.00 C ATOM 1082 C SER A 70 10.575 4.398 5.954 1.00 0.00 C ATOM 1083 O SER A 70 11.385 3.972 5.125 1.00 0.00 O ATOM 1084 CB SER A 70 11.219 3.498 8.174 1.00 0.00 C ATOM 1085 OG SER A 70 11.059 2.482 9.146 1.00 0.00 O ATOM 0 H SER A 70 10.203 1.443 7.161 1.00 0.00 H new ATOM 0 HA SER A 70 9.224 3.963 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.175 3.356 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.265 4.464 8.677 1.00 0.00 H new ATOM 0 HG SER A 70 11.806 2.515 9.780 1.00 0.00 H new ATOM 1091 N GLY A 71 9.986 5.577 5.858 1.00 0.00 N ATOM 1092 CA GLY A 71 9.958 6.389 4.668 1.00 0.00 C ATOM 1093 C GLY A 71 8.999 7.534 4.933 1.00 0.00 C ATOM 1094 O GLY A 71 8.533 7.723 6.061 1.00 0.00 O ATOM 0 H GLY A 71 9.496 6.007 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.954 6.766 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.631 5.803 3.809 1.00 0.00 H new ATOM 1098 N LYS A 72 8.741 8.344 3.916 1.00 0.00 N ATOM 1099 CA LYS A 72 8.084 9.638 4.075 1.00 0.00 C ATOM 1100 C LYS A 72 7.185 9.771 2.860 1.00 0.00 C ATOM 1101 O LYS A 72 7.648 9.487 1.754 1.00 0.00 O ATOM 1102 CB LYS A 72 9.135 10.762 4.194 1.00 0.00 C ATOM 1103 CG LYS A 72 10.398 10.341 4.983 1.00 0.00 C ATOM 1104 CD LYS A 72 11.386 11.494 5.171 1.00 0.00 C ATOM 1105 CE LYS A 72 12.247 11.663 3.921 1.00 0.00 C ATOM 1106 NZ LYS A 72 13.209 10.548 3.764 1.00 0.00 N ATOM 0 H LYS A 72 8.982 8.122 2.950 1.00 0.00 H new ATOM 0 HA LYS A 72 7.494 9.715 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.430 11.081 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.681 11.624 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.101 9.959 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.894 9.524 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.844 12.417 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.021 11.300 6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.605 11.717 3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.790 12.607 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.334 10.337 2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.124 10.818 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.845 9.704 4.251 1.00 0.00 H new ATOM 1120 N ILE A 73 5.900 10.064 3.045 1.00 0.00 N ATOM 1121 CA ILE A 73 4.948 10.212 1.947 1.00 0.00 C ATOM 1122 C ILE A 73 5.454 11.336 1.048 1.00 0.00 C ATOM 1123 O ILE A 73 5.957 12.328 1.572 1.00 0.00 O ATOM 1124 CB ILE A 73 3.545 10.574 2.464 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.022 9.716 3.632 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.524 10.550 1.306 1.00 0.00 C ATOM 1127 CD1 ILE A 73 2.756 8.252 3.296 1.00 0.00 C ATOM 0 H ILE A 73 5.487 10.206 3.967 1.00 0.00 H new ATOM 0 HA ILE A 73 4.871 9.268 1.407 1.00 0.00 H new ATOM 0 HB ILE A 73 3.655 11.579 2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.746 9.759 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.098 10.160 4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.536 10.808 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.820 11.272 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.495 9.553 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.391 7.735 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.007 8.190 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.680 7.783 2.957 1.00 0.00 H new ATOM 1139 N VAL A 74 5.291 11.190 -0.271 1.00 0.00 N ATOM 1140 CA VAL A 74 5.600 12.239 -1.237 1.00 0.00 C ATOM 1141 C VAL A 74 4.655 12.244 -2.453 1.00 0.00 C ATOM 1142 O VAL A 74 4.795 13.125 -3.300 1.00 0.00 O ATOM 1143 CB VAL A 74 7.076 12.124 -1.708 1.00 0.00 C ATOM 1144 CG1 VAL A 74 8.109 12.124 -0.574 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.322 10.864 -2.558 1.00 0.00 C ATOM 0 H VAL A 74 4.938 10.333 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 74 5.450 13.187 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 74 7.218 13.027 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.111 12.040 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.029 13.053 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.922 11.279 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.368 10.829 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.086 9.977 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.687 10.893 -3.443 1.00 0.00 H new ATOM 1155 N GLU A 75 3.693 11.318 -2.587 1.00 0.00 N ATOM 1156 CA GLU A 75 2.600 11.479 -3.553 1.00 0.00 C ATOM 1157 C GLU A 75 1.338 10.825 -2.972 1.00 0.00 C ATOM 1158 O GLU A 75 1.451 9.938 -2.123 1.00 0.00 O ATOM 1159 CB GLU A 75 3.019 10.889 -4.913 1.00 0.00 C ATOM 1160 CG GLU A 75 2.429 11.629 -6.119 1.00 0.00 C ATOM 1161 CD GLU A 75 3.252 11.384 -7.394 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.174 10.288 -7.987 1.00 0.00 O ATOM 1163 OE2 GLU A 75 4.021 12.296 -7.781 1.00 0.00 O ATOM 0 H GLU A 75 3.651 10.457 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 75 2.377 12.531 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.106 10.905 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.712 9.844 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.402 11.302 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.393 12.698 -5.908 1.00 0.00 H new ATOM 1170 N VAL A 76 0.138 11.224 -3.405 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.136 10.678 -2.917 1.00 0.00 C ATOM 1172 C VAL A 76 -2.098 10.515 -4.097 1.00 0.00 C ATOM 1173 O VAL A 76 -1.974 11.229 -5.099 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.733 11.557 -1.793 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.782 11.698 -0.593 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.133 12.946 -2.300 1.00 0.00 C ATOM 0 H VAL A 76 0.021 11.947 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.963 9.697 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.631 11.037 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.247 12.324 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.574 10.713 -0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.151 12.157 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.547 13.528 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.255 13.455 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.882 12.845 -3.086 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.047 9.582 -3.998 1.00 0.00 N ATOM 1187 CA ASN A 77 -3.943 9.229 -5.091 1.00 0.00 C ATOM 1188 C ASN A 77 -5.320 9.823 -4.828 1.00 0.00 C ATOM 1189 O ASN A 77 -6.231 9.110 -4.414 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.008 7.701 -5.251 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.555 7.253 -6.598 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.555 8.013 -7.565 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.983 6.005 -6.682 1.00 0.00 N ATOM 0 H ASN A 77 -3.213 9.047 -3.146 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.564 9.641 -6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.008 7.287 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.632 7.287 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.328 5.643 -7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.968 5.404 -5.858 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.500 11.124 -5.089 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.759 11.841 -4.855 1.00 0.00 C ATOM 1202 C GLU A 78 -7.955 11.208 -5.601 1.00 0.00 C ATOM 1203 O GLU A 78 -9.116 11.450 -5.268 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.603 13.322 -5.249 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.609 14.118 -4.380 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.624 15.634 -4.667 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.943 16.051 -5.807 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.283 16.441 -3.773 1.00 0.00 O ATOM 0 H GLU A 78 -4.764 11.716 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.979 11.766 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.280 13.375 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.579 13.803 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.843 13.952 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.603 13.734 -4.547 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.669 10.330 -6.568 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.624 9.463 -7.248 1.00 0.00 C ATOM 1217 C LYS A 79 -9.493 8.689 -6.263 1.00 0.00 C ATOM 1218 O LYS A 79 -10.679 8.521 -6.520 1.00 0.00 O ATOM 1219 CB LYS A 79 -7.871 8.461 -8.140 1.00 0.00 C ATOM 1220 CG LYS A 79 -7.299 9.100 -9.412 1.00 0.00 C ATOM 1221 CD LYS A 79 -6.943 8.052 -10.479 1.00 0.00 C ATOM 1222 CE LYS A 79 -5.652 7.246 -10.253 1.00 0.00 C ATOM 1223 NZ LYS A 79 -4.406 8.041 -10.310 1.00 0.00 N ATOM 0 H LYS A 79 -6.717 10.202 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.273 10.100 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.058 8.014 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.547 7.653 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.025 9.801 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.408 9.675 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.773 7.350 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.864 8.559 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.711 6.758 -9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.597 6.457 -11.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.671 7.499 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.585 8.931 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.085 8.253 -9.344 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.920 8.209 -5.160 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.584 7.287 -4.240 1.00 0.00 C ATOM 1239 C LEU A 80 -10.664 7.976 -3.396 1.00 0.00 C ATOM 1240 O LEU A 80 -11.356 7.288 -2.653 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.544 6.552 -3.365 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.655 5.482 -4.055 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -7.958 4.099 -3.493 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.804 5.333 -5.579 1.00 0.00 C ATOM 0 H LEU A 80 -7.971 8.452 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.106 6.542 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.887 7.301 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.075 6.070 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.649 5.848 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.327 3.360 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.758 4.090 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.006 3.857 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.130 4.555 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.832 5.061 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.556 6.278 -6.063 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.859 9.295 -3.506 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.108 9.923 -3.059 1.00 0.00 C ATOM 1258 C ASP A 81 -13.245 9.492 -3.984 1.00 0.00 C ATOM 1259 O ASP A 81 -14.323 9.093 -3.533 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.990 11.455 -3.101 1.00 0.00 C ATOM 1261 CG ASP A 81 -13.284 12.169 -2.677 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -14.344 12.084 -3.345 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.260 12.859 -1.637 1.00 0.00 O ATOM 0 H ASP A 81 -10.175 9.943 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.309 9.610 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.177 11.769 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.724 11.766 -4.111 1.00 0.00 H new ATOM 1268 N THR A 82 -13.024 9.620 -5.292 1.00 0.00 N ATOM 1269 CA THR A 82 -14.086 9.618 -6.277 1.00 0.00 C ATOM 1270 C THR A 82 -14.317 8.198 -6.797 1.00 0.00 C ATOM 1271 O THR A 82 -15.470 7.772 -6.868 1.00 0.00 O ATOM 1272 CB THR A 82 -13.798 10.671 -7.361 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.719 10.339 -8.211 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.471 12.050 -6.775 1.00 0.00 C ATOM 0 H THR A 82 -12.092 9.728 -5.693 1.00 0.00 H new ATOM 0 HA THR A 82 -15.033 9.916 -5.828 1.00 0.00 H new ATOM 0 HB THR A 82 -14.726 10.695 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.076 9.784 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.277 12.753 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.315 12.403 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.588 11.975 -6.140 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.245 7.427 -7.003 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.259 6.006 -7.337 1.00 0.00 C ATOM 1284 C GLU A 83 -12.561 5.198 -6.203 1.00 0.00 C ATOM 1285 O GLU A 83 -11.462 4.664 -6.377 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.571 5.785 -8.686 1.00 0.00 C ATOM 1287 CG GLU A 83 -12.974 6.640 -9.893 1.00 0.00 C ATOM 1288 CD GLU A 83 -12.245 6.171 -11.168 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -11.121 6.660 -11.449 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -12.809 5.351 -11.933 1.00 0.00 O ATOM 0 H GLU A 83 -12.298 7.799 -6.937 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.287 5.654 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.501 5.923 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.722 4.741 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.052 6.580 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.737 7.686 -9.698 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.146 5.134 -4.994 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.616 4.410 -3.849 1.00 0.00 C ATOM 1299 C PRO A 84 -12.626 2.905 -4.106 1.00 0.00 C ATOM 1300 O PRO A 84 -11.652 2.232 -3.782 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.534 4.774 -2.671 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.863 5.112 -3.342 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.400 5.748 -4.656 1.00 0.00 C ATOM 0 HA PRO A 84 -11.579 4.679 -3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.638 3.944 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.144 5.620 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.473 4.224 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.460 5.800 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.135 5.586 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.285 6.826 -4.544 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.717 2.343 -4.649 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.912 0.902 -4.854 1.00 0.00 C ATOM 1313 C GLU A 85 -12.835 0.358 -5.812 1.00 0.00 C ATOM 1314 O GLU A 85 -12.746 -0.853 -5.950 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.345 0.662 -5.381 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.834 -0.786 -5.583 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.996 -0.873 -6.579 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.148 -0.548 -6.202 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.756 -1.257 -7.755 1.00 0.00 O ATOM 0 H GLU A 85 -14.512 2.898 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.803 0.362 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.035 1.149 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.434 1.176 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.007 -1.400 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.148 -1.198 -4.624 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.947 1.175 -6.405 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.820 0.705 -7.206 1.00 0.00 C ATOM 1328 C LEU A 86 -9.873 -0.217 -6.461 1.00 0.00 C ATOM 1329 O LEU A 86 -9.102 -0.915 -7.118 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.022 1.868 -7.793 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.769 2.586 -8.920 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.857 3.665 -9.488 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.141 1.664 -10.083 1.00 0.00 C ATOM 0 H LEU A 86 -11.999 2.191 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.278 0.124 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.792 2.582 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.070 1.496 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.688 2.981 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.371 4.189 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.598 4.374 -8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.948 3.206 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.668 2.236 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.235 1.235 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.786 0.863 -9.721 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.971 -0.296 -5.132 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.338 -1.371 -4.391 1.00 0.00 C ATOM 1347 C ILE A 87 -9.770 -2.733 -4.975 1.00 0.00 C ATOM 1348 O ILE A 87 -8.975 -3.662 -5.050 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.664 -1.306 -2.903 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -9.621 0.084 -2.257 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.646 -2.174 -2.160 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.489 1.048 -2.624 1.00 0.00 C ATOM 0 H ILE A 87 -10.482 0.372 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.259 -1.256 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.697 -1.644 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.563 0.582 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.593 -0.058 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.856 -2.146 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.715 -3.202 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.641 -1.793 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.614 1.982 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.530 0.600 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.515 1.249 -3.695 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.046 -2.865 -5.351 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.606 -4.035 -6.012 1.00 0.00 C ATOM 1366 C ASN A 88 -11.054 -4.129 -7.429 1.00 0.00 C ATOM 1367 O ASN A 88 -10.530 -5.166 -7.833 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.144 -3.970 -6.067 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.811 -4.077 -4.694 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.448 -5.065 -4.351 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.683 -3.053 -3.866 1.00 0.00 N ATOM 0 H ASN A 88 -11.737 -2.131 -5.195 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.323 -4.917 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.443 -3.032 -6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.511 -4.775 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.115 -3.087 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.153 -2.230 -4.151 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.242 -3.050 -8.195 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.100 -3.041 -9.647 1.00 0.00 C ATOM 1380 C LYS A 89 -9.667 -3.261 -10.106 1.00 0.00 C ATOM 1381 O LYS A 89 -9.449 -3.954 -11.099 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.598 -1.696 -10.200 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.562 -1.839 -11.386 1.00 0.00 C ATOM 1384 CD LYS A 89 -11.897 -1.658 -12.751 1.00 0.00 C ATOM 1385 CE LYS A 89 -11.303 -0.249 -12.858 1.00 0.00 C ATOM 1386 NZ LYS A 89 -11.093 0.167 -14.250 1.00 0.00 N ATOM 0 H LYS A 89 -11.502 -2.142 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.696 -3.870 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.096 -1.146 -9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.740 -1.100 -10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.027 -2.824 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.361 -1.105 -11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.114 -2.404 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.627 -1.816 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.968 0.461 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.353 -0.217 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.690 1.126 -14.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.437 -0.493 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.003 0.164 -14.754 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.704 -2.588 -9.479 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.296 -2.752 -9.810 1.00 0.00 C ATOM 1402 C ASP A 90 -6.463 -2.418 -8.576 1.00 0.00 C ATOM 1403 O ASP A 90 -5.857 -1.341 -8.520 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.885 -1.910 -11.032 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.762 -2.605 -11.815 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.041 -3.483 -11.290 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -5.571 -2.277 -13.008 1.00 0.00 O ATOM 0 H ASP A 90 -8.880 -1.917 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.114 -3.788 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.747 -1.757 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.552 -0.925 -10.706 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.439 -3.306 -7.566 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.818 -3.020 -6.278 1.00 0.00 C ATOM 1414 C PRO A 91 -4.346 -2.641 -6.414 1.00 0.00 C ATOM 1415 O PRO A 91 -3.787 -1.984 -5.536 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.962 -4.295 -5.435 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.645 -5.338 -6.319 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.094 -4.603 -7.571 1.00 0.00 C ATOM 0 HA PRO A 91 -6.307 -2.164 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.987 -4.650 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.553 -4.101 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.959 -6.147 -6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.495 -5.787 -5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.826 -5.166 -8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.178 -4.487 -7.581 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.703 -3.063 -7.504 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.281 -2.891 -7.731 1.00 0.00 C ATOM 1428 C GLU A 92 -1.993 -2.045 -8.975 1.00 0.00 C ATOM 1429 O GLU A 92 -0.838 -1.950 -9.413 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.541 -4.238 -7.689 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.158 -5.332 -6.796 1.00 0.00 C ATOM 1432 CD GLU A 92 -3.026 -6.306 -7.592 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -3.892 -5.886 -8.377 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.750 -7.529 -7.471 1.00 0.00 O ATOM 0 H GLU A 92 -4.176 -3.545 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.872 -2.309 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.476 -4.624 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.521 -4.057 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.361 -5.883 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.760 -4.865 -6.016 1.00 0.00 H new ATOM 1441 N GLY A 93 -3.033 -1.434 -9.550 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.981 -0.554 -10.702 1.00 0.00 C ATOM 1443 C GLY A 93 -3.422 0.848 -10.295 1.00 0.00 C ATOM 1444 O GLY A 93 -2.693 1.520 -9.566 1.00 0.00 O ATOM 0 H GLY A 93 -3.983 -1.552 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.969 -0.525 -11.105 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.628 -0.935 -11.492 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.592 1.305 -10.751 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.156 2.609 -10.395 1.00 0.00 C ATOM 1450 C GLU A 94 -5.492 2.676 -8.896 1.00 0.00 C ATOM 1451 O GLU A 94 -5.422 3.769 -8.335 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.421 2.909 -11.230 1.00 0.00 C ATOM 1453 CG GLU A 94 -6.172 3.403 -12.670 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.760 4.878 -12.762 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -6.641 5.775 -12.823 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -4.530 5.131 -12.787 1.00 0.00 O ATOM 0 H GLU A 94 -5.183 0.770 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.402 3.364 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.026 2.004 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.011 3.660 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.393 2.790 -13.124 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.078 3.252 -13.257 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.808 1.552 -8.234 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.207 1.499 -6.821 1.00 0.00 C ATOM 1465 C GLY A 95 -5.074 1.667 -5.802 1.00 0.00 C ATOM 1466 O GLY A 95 -5.199 1.173 -4.680 1.00 0.00 O ATOM 0 H GLY A 95 -5.792 0.634 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.949 2.277 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.697 0.543 -6.637 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.965 2.330 -6.158 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.932 2.687 -5.184 1.00 0.00 C ATOM 1472 C TRP A 96 -3.464 3.734 -4.201 1.00 0.00 C ATOM 1473 O TRP A 96 -4.475 4.384 -4.468 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.644 3.140 -5.888 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.681 4.382 -6.727 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.149 4.437 -7.992 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.216 5.737 -6.421 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -1.983 5.701 -8.504 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.474 6.560 -7.559 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.648 6.377 -5.294 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.226 7.937 -7.561 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.419 7.772 -5.281 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.684 8.545 -6.422 1.00 0.00 C ATOM 0 H TRP A 96 -3.763 2.628 -7.112 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.673 1.802 -4.603 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.881 3.281 -5.123 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.310 2.321 -6.525 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.590 3.607 -8.525 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.208 5.968 -9.462 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.384 5.789 -4.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.451 8.528 -8.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.038 8.245 -4.388 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.471 9.604 -6.422 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.786 3.908 -3.063 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.224 4.815 -1.999 1.00 0.00 C ATOM 1496 C LEU A 97 -2.313 6.042 -2.034 1.00 0.00 C ATOM 1497 O LEU A 97 -2.731 7.144 -2.384 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.195 4.132 -0.613 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.906 2.761 -0.486 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.063 1.850 0.411 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.301 2.806 0.148 1.00 0.00 C ATOM 0 H LEU A 97 -1.914 3.422 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.260 5.108 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.153 4.001 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.644 4.814 0.109 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.017 2.405 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.553 0.881 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.076 1.715 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.959 2.305 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.713 1.798 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.229 3.213 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.954 3.439 -0.453 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.034 5.855 -1.707 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.038 6.912 -1.634 1.00 0.00 C ATOM 1515 C PHE A 98 1.288 6.398 -2.189 1.00 0.00 C ATOM 1516 O PHE A 98 1.435 5.217 -2.513 1.00 0.00 O ATOM 1517 CB PHE A 98 0.087 7.415 -0.183 1.00 0.00 C ATOM 1518 CG PHE A 98 0.473 6.342 0.820 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.777 5.816 0.840 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.483 5.835 1.716 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.092 4.751 1.694 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.139 4.806 2.616 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.138 4.237 2.580 1.00 0.00 C ATOM 0 H PHE A 98 -0.656 4.935 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.344 7.763 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.831 8.211 -0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.864 7.854 0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.537 6.234 0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.486 6.235 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.083 4.322 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.864 4.456 3.336 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.385 3.410 3.229 1.00 0.00 H new ATOM 1533 N LYS A 99 2.276 7.284 -2.264 1.00 0.00 N ATOM 1534 CA LYS A 99 3.647 6.953 -2.603 1.00 0.00 C ATOM 1535 C LYS A 99 4.559 7.612 -1.591 1.00 0.00 C ATOM 1536 O LYS A 99 4.210 8.656 -1.032 1.00 0.00 O ATOM 1537 CB LYS A 99 4.001 7.431 -4.011 1.00 0.00 C ATOM 1538 CG LYS A 99 2.952 7.072 -5.062 1.00 0.00 C ATOM 1539 CD LYS A 99 3.446 7.388 -6.466 1.00 0.00 C ATOM 1540 CE LYS A 99 2.363 7.037 -7.491 1.00 0.00 C ATOM 1541 NZ LYS A 99 2.614 7.697 -8.782 1.00 0.00 N ATOM 0 H LYS A 99 2.136 8.278 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 99 3.770 5.870 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.132 8.513 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.958 6.998 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.709 6.012 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.033 7.624 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.702 8.445 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.355 6.824 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.330 5.957 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.387 7.338 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.778 7.595 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.806 8.707 -8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.435 7.256 -9.243 1.00 0.00 H new ATOM 1555 N MET A 100 5.727 7.029 -1.360 1.00 0.00 N ATOM 1556 CA MET A 100 6.631 7.445 -0.304 1.00 0.00 C ATOM 1557 C MET A 100 8.071 7.273 -0.754 1.00 0.00 C ATOM 1558 O MET A 100 8.403 6.230 -1.313 1.00 0.00 O ATOM 1559 CB MET A 100 6.376 6.648 0.987 1.00 0.00 C ATOM 1560 CG MET A 100 5.745 5.254 0.805 1.00 0.00 C ATOM 1561 SD MET A 100 5.615 4.224 2.301 1.00 0.00 S ATOM 1562 CE MET A 100 6.721 5.005 3.502 1.00 0.00 C ATOM 0 H MET A 100 6.075 6.244 -1.910 1.00 0.00 H new ATOM 0 HA MET A 100 6.448 8.498 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.324 6.530 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.726 7.238 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.745 5.383 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.329 4.708 0.064 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.633 4.496 4.462 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.749 4.937 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.447 6.053 3.621 1.00 0.00 H new ATOM 1572 N GLU A 101 8.905 8.283 -0.497 1.00 0.00 N ATOM 1573 CA GLU A 101 10.356 8.207 -0.606 1.00 0.00 C ATOM 1574 C GLU A 101 10.817 7.083 0.313 1.00 0.00 C ATOM 1575 O GLU A 101 10.450 7.059 1.498 1.00 0.00 O ATOM 1576 CB GLU A 101 10.986 9.560 -0.215 1.00 0.00 C ATOM 1577 CG GLU A 101 12.524 9.506 -0.192 1.00 0.00 C ATOM 1578 CD GLU A 101 13.170 10.862 0.107 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.090 11.777 -0.740 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.824 11.016 1.169 1.00 0.00 O ATOM 0 H GLU A 101 8.576 9.201 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 101 10.669 7.997 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.663 10.326 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.621 9.857 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.845 8.784 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.883 9.144 -1.155 1.00 0.00 H new ATOM 1587 N ILE A 102 11.598 6.155 -0.242 1.00 0.00 N ATOM 1588 CA ILE A 102 12.243 5.131 0.541 1.00 0.00 C ATOM 1589 C ILE A 102 13.433 5.768 1.248 1.00 0.00 C ATOM 1590 O ILE A 102 14.426 6.143 0.624 1.00 0.00 O ATOM 1591 CB ILE A 102 12.578 3.888 -0.306 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.479 4.127 -1.534 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.249 3.241 -0.737 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.899 2.839 -2.238 1.00 0.00 C ATOM 0 H ILE A 102 11.793 6.102 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 102 11.573 4.739 1.306 1.00 0.00 H new ATOM 0 HB ILE A 102 13.176 3.235 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.952 4.765 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.371 4.669 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.454 2.356 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.680 2.954 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.671 3.954 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.531 3.081 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.454 2.209 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.012 2.306 -2.582 1.00 0.00 H new ATOM 1606 N SER A 103 13.327 5.928 2.561 1.00 0.00 N ATOM 1607 CA SER A 103 14.469 6.296 3.376 1.00 0.00 C ATOM 1608 C SER A 103 15.524 5.181 3.389 1.00 0.00 C ATOM 1609 O SER A 103 16.689 5.445 3.692 1.00 0.00 O ATOM 1610 CB SER A 103 13.971 6.595 4.789 1.00 0.00 C ATOM 1611 OG SER A 103 13.172 7.774 4.779 1.00 0.00 O ATOM 0 H SER A 103 12.458 5.808 3.082 1.00 0.00 H new ATOM 0 HA SER A 103 14.949 7.180 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.389 5.753 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.818 6.724 5.463 1.00 0.00 H new ATOM 0 HG SER A 103 12.853 7.961 5.687 1.00 0.00 H new ATOM 1617 N ASP A 104 15.141 3.938 3.085 1.00 0.00 N ATOM 1618 CA ASP A 104 15.873 2.748 3.490 1.00 0.00 C ATOM 1619 C ASP A 104 15.623 1.639 2.459 1.00 0.00 C ATOM 1620 O ASP A 104 14.677 0.865 2.615 1.00 0.00 O ATOM 1621 CB ASP A 104 15.381 2.318 4.889 1.00 0.00 C ATOM 1622 CG ASP A 104 15.723 3.306 6.004 1.00 0.00 C ATOM 1623 OD1 ASP A 104 16.893 3.326 6.448 1.00 0.00 O ATOM 1624 OD2 ASP A 104 14.829 4.060 6.437 1.00 0.00 O ATOM 0 H ASP A 104 14.301 3.734 2.543 1.00 0.00 H new ATOM 0 HA ASP A 104 16.944 2.947 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.300 2.184 4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.815 1.348 5.132 1.00 0.00 H new ATOM 1629 N GLU A 105 16.428 1.554 1.389 1.00 0.00 N ATOM 1630 CA GLU A 105 16.298 0.483 0.383 1.00 0.00 C ATOM 1631 C GLU A 105 16.905 -0.845 0.883 1.00 0.00 C ATOM 1632 O GLU A 105 16.719 -1.904 0.278 1.00 0.00 O ATOM 1633 CB GLU A 105 16.875 0.914 -0.991 1.00 0.00 C ATOM 1634 CG GLU A 105 18.217 0.248 -1.373 1.00 0.00 C ATOM 1635 CD GLU A 105 18.900 0.792 -2.628 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.442 1.810 -3.196 1.00 0.00 O ATOM 1637 OE2 GLU A 105 19.933 0.202 -3.023 1.00 0.00 O ATOM 0 H GLU A 105 17.180 2.216 1.196 1.00 0.00 H new ATOM 0 HA GLU A 105 15.233 0.304 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.141 0.687 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.011 1.995 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.905 0.354 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.044 -0.819 -1.511 1.00 0.00 H new ATOM 1644 N GLY A 106 17.653 -0.802 1.985 1.00 0.00 N ATOM 1645 CA GLY A 106 18.201 -1.999 2.610 1.00 0.00 C ATOM 1646 C GLY A 106 17.078 -2.861 3.148 1.00 0.00 C ATOM 1647 O GLY A 106 17.084 -4.078 2.966 1.00 0.00 O ATOM 0 H GLY A 106 17.894 0.064 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.788 -2.562 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.877 -1.721 3.419 1.00 0.00 H new ATOM 1651 N GLU A 107 16.087 -2.207 3.748 1.00 0.00 N ATOM 1652 CA GLU A 107 14.959 -2.848 4.389 1.00 0.00 C ATOM 1653 C GLU A 107 14.118 -3.644 3.398 1.00 0.00 C ATOM 1654 O GLU A 107 13.444 -4.563 3.842 1.00 0.00 O ATOM 1655 CB GLU A 107 14.107 -1.775 5.077 1.00 0.00 C ATOM 1656 CG GLU A 107 14.811 -1.144 6.279 1.00 0.00 C ATOM 1657 CD GLU A 107 14.875 -2.135 7.433 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.862 -2.239 8.160 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.929 -2.773 7.627 1.00 0.00 O ATOM 0 H GLU A 107 16.052 -1.189 3.799 1.00 0.00 H new ATOM 0 HA GLU A 107 15.334 -3.558 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.859 -0.996 4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.166 -2.218 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.818 -0.836 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.278 -0.246 6.591 1.00 0.00 H new ATOM 1666 N LEU A 108 14.163 -3.342 2.091 1.00 0.00 N ATOM 1667 CA LEU A 108 13.406 -4.041 1.056 1.00 0.00 C ATOM 1668 C LEU A 108 13.624 -5.556 1.112 1.00 0.00 C ATOM 1669 O LEU A 108 12.717 -6.298 0.756 1.00 0.00 O ATOM 1670 CB LEU A 108 13.776 -3.572 -0.354 1.00 0.00 C ATOM 1671 CG LEU A 108 13.617 -2.088 -0.713 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.594 -1.910 -2.224 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.415 -1.388 -0.102 1.00 0.00 C ATOM 0 H LEU A 108 14.742 -2.587 1.722 1.00 0.00 H new ATOM 0 HA LEU A 108 12.362 -3.805 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.818 -3.842 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.176 -4.147 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 108 14.488 -1.606 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.481 -0.853 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.527 -2.281 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.758 -2.469 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.400 -0.346 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.500 -1.881 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.481 -1.434 0.985 1.00 0.00 H new ATOM 1685 N GLU A 109 14.797 -6.015 1.539 1.00 0.00 N ATOM 1686 CA GLU A 109 15.131 -7.437 1.557 1.00 0.00 C ATOM 1687 C GLU A 109 14.512 -8.158 2.757 1.00 0.00 C ATOM 1688 O GLU A 109 14.504 -9.390 2.797 1.00 0.00 O ATOM 1689 CB GLU A 109 16.657 -7.599 1.550 1.00 0.00 C ATOM 1690 CG GLU A 109 17.316 -6.919 0.337 1.00 0.00 C ATOM 1691 CD GLU A 109 16.824 -7.492 -1.000 1.00 0.00 C ATOM 1692 OE1 GLU A 109 15.770 -7.048 -1.523 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.497 -8.392 -1.546 1.00 0.00 O ATOM 0 H GLU A 109 15.544 -5.411 1.883 1.00 0.00 H new ATOM 0 HA GLU A 109 14.710 -7.899 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.068 -7.177 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.907 -8.660 1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.109 -5.849 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.398 -7.036 0.402 1.00 0.00 H new ATOM 1700 N ASP A 110 13.972 -7.418 3.730 1.00 0.00 N ATOM 1701 CA ASP A 110 13.147 -8.003 4.778 1.00 0.00 C ATOM 1702 C ASP A 110 11.760 -8.361 4.245 1.00 0.00 C ATOM 1703 O ASP A 110 11.155 -9.347 4.676 1.00 0.00 O ATOM 1704 CB ASP A 110 13.005 -7.048 5.966 1.00 0.00 C ATOM 1705 CG ASP A 110 12.306 -7.792 7.100 1.00 0.00 C ATOM 1706 OD1 ASP A 110 12.979 -8.597 7.778 1.00 0.00 O ATOM 1707 OD2 ASP A 110 11.071 -7.646 7.282 1.00 0.00 O ATOM 0 H ASP A 110 14.095 -6.409 3.809 1.00 0.00 H new ATOM 0 HA ASP A 110 13.645 -8.912 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.985 -6.697 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.430 -6.168 5.679 1.00 0.00 H new ATOM 1712 N LEU A 111 11.241 -7.556 3.313 1.00 0.00 N ATOM 1713 CA LEU A 111 9.885 -7.680 2.807 1.00 0.00 C ATOM 1714 C LEU A 111 9.823 -8.908 1.919 1.00 0.00 C ATOM 1715 O LEU A 111 10.806 -9.344 1.313 1.00 0.00 O ATOM 1716 CB LEU A 111 9.486 -6.503 1.912 1.00 0.00 C ATOM 1717 CG LEU A 111 9.396 -5.058 2.397 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.128 -4.687 3.140 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.597 -4.717 3.197 1.00 0.00 C ATOM 0 H LEU A 111 11.765 -6.791 2.887 1.00 0.00 H new ATOM 0 HA LEU A 111 9.221 -7.726 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.188 -6.502 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.506 -6.749 1.503 1.00 0.00 H new ATOM 0 HG LEU A 111 9.355 -4.457 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.174 -3.639 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.267 -4.843 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.031 -5.312 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.525 -3.685 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.661 -5.381 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.489 -4.834 2.582 1.00 0.00 H new ATOM 1731 N LEU A 112 8.605 -9.395 1.745 1.00 0.00 N ATOM 1732 CA LEU A 112 8.352 -10.599 0.999 1.00 0.00 C ATOM 1733 C LEU A 112 8.527 -10.234 -0.469 1.00 0.00 C ATOM 1734 O LEU A 112 7.958 -9.232 -0.920 1.00 0.00 O ATOM 1735 CB LEU A 112 6.946 -11.157 1.291 1.00 0.00 C ATOM 1736 CG LEU A 112 6.366 -11.047 2.720 1.00 0.00 C ATOM 1737 CD1 LEU A 112 7.398 -11.126 3.848 1.00 0.00 C ATOM 1738 CD2 LEU A 112 5.494 -9.825 2.921 1.00 0.00 C ATOM 0 H LEU A 112 7.765 -8.957 2.123 1.00 0.00 H new ATOM 0 HA LEU A 112 9.043 -11.393 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.250 -10.658 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.951 -12.213 1.021 1.00 0.00 H new ATOM 0 HG LEU A 112 5.747 -11.941 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.893 -11.039 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.920 -12.081 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.117 -10.314 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.120 -9.809 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.080 -8.925 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.653 -9.860 2.228 1.00 0.00 H new ATOM 1750 N ASP A 113 9.297 -11.026 -1.216 1.00 0.00 N ATOM 1751 CA ASP A 113 9.275 -10.987 -2.682 1.00 0.00 C ATOM 1752 C ASP A 113 7.925 -11.565 -3.136 1.00 0.00 C ATOM 1753 O ASP A 113 7.024 -11.789 -2.338 1.00 0.00 O ATOM 1754 CB ASP A 113 10.389 -11.819 -3.347 1.00 0.00 C ATOM 1755 CG ASP A 113 11.652 -11.983 -2.530 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.447 -11.023 -2.451 1.00 0.00 O ATOM 1757 OD2 ASP A 113 11.790 -13.063 -1.920 1.00 0.00 O ATOM 0 H ASP A 113 9.949 -11.708 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 113 9.429 -9.951 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.993 -12.809 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.649 -11.353 -4.297 1.00 0.00 H new ATOM 1762 N GLU A 114 7.759 -11.864 -4.418 1.00 0.00 N ATOM 1763 CA GLU A 114 6.502 -12.289 -5.014 1.00 0.00 C ATOM 1764 C GLU A 114 6.102 -13.720 -4.643 1.00 0.00 C ATOM 1765 O GLU A 114 4.919 -13.995 -4.431 1.00 0.00 O ATOM 1766 CB GLU A 114 6.691 -12.147 -6.517 1.00 0.00 C ATOM 1767 CG GLU A 114 5.431 -12.350 -7.357 1.00 0.00 C ATOM 1768 CD GLU A 114 5.711 -11.873 -8.784 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.624 -10.652 -9.049 1.00 0.00 O ATOM 1770 OE2 GLU A 114 6.082 -12.705 -9.646 1.00 0.00 O ATOM 0 H GLU A 114 8.522 -11.815 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 114 5.686 -11.673 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.089 -11.154 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.443 -12.866 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.144 -13.401 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.598 -11.793 -6.929 1.00 0.00 H new ATOM 1777 N GLN A 115 7.063 -14.648 -4.590 1.00 0.00 N ATOM 1778 CA GLN A 115 6.812 -16.014 -4.160 1.00 0.00 C ATOM 1779 C GLN A 115 6.615 -16.012 -2.645 1.00 0.00 C ATOM 1780 O GLN A 115 5.636 -16.574 -2.156 1.00 0.00 O ATOM 1781 CB GLN A 115 7.975 -16.900 -4.634 1.00 0.00 C ATOM 1782 CG GLN A 115 8.181 -18.197 -3.856 1.00 0.00 C ATOM 1783 CD GLN A 115 9.286 -19.079 -4.454 1.00 0.00 C ATOM 1784 OE1 GLN A 115 10.072 -18.646 -5.296 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.378 -20.329 -4.020 1.00 0.00 N ATOM 0 H GLN A 115 8.034 -14.467 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 115 5.904 -16.427 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.813 -17.149 -5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.895 -16.318 -4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.431 -17.960 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.246 -18.757 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.720 -20.676 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.106 -20.943 -4.384 1.00 0.00 H new ATOM 1794 N ALA A 116 7.521 -15.354 -1.914 1.00 0.00 N ATOM 1795 CA ALA A 116 7.441 -15.280 -0.458 1.00 0.00 C ATOM 1796 C ALA A 116 6.133 -14.622 -0.002 1.00 0.00 C ATOM 1797 O ALA A 116 5.535 -15.065 0.977 1.00 0.00 O ATOM 1798 CB ALA A 116 8.651 -14.531 0.095 1.00 0.00 C ATOM 0 H ALA A 116 8.321 -14.864 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 116 7.448 -16.296 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.582 -14.481 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.564 -15.056 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.672 -13.521 -0.314 1.00 0.00 H new ATOM 1804 N TYR A 117 5.674 -13.591 -0.717 1.00 0.00 N ATOM 1805 CA TYR A 117 4.376 -12.963 -0.505 1.00 0.00 C ATOM 1806 C TYR A 117 3.279 -14.014 -0.557 1.00 0.00 C ATOM 1807 O TYR A 117 2.520 -14.135 0.393 1.00 0.00 O ATOM 1808 CB TYR A 117 4.140 -11.884 -1.571 1.00 0.00 C ATOM 1809 CG TYR A 117 2.694 -11.493 -1.797 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.934 -10.939 -0.754 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.101 -11.725 -3.050 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.566 -10.662 -0.925 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.744 -11.431 -3.244 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.040 -10.932 -2.177 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.373 -10.729 -2.365 1.00 0.00 O ATOM 0 H TYR A 117 6.209 -13.164 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 117 4.359 -12.492 0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.699 -10.992 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.555 -12.235 -2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.407 -10.723 0.193 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.689 -12.129 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.015 -10.249 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.294 -11.586 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.614 -10.966 -3.285 1.00 0.00 H new ATOM 1825 N GLN A 118 3.205 -14.790 -1.640 1.00 0.00 N ATOM 1826 CA GLN A 118 2.205 -15.838 -1.830 1.00 0.00 C ATOM 1827 C GLN A 118 2.238 -16.865 -0.691 1.00 0.00 C ATOM 1828 O GLN A 118 1.202 -17.354 -0.240 1.00 0.00 O ATOM 1829 CB GLN A 118 2.420 -16.447 -3.229 1.00 0.00 C ATOM 1830 CG GLN A 118 2.583 -17.974 -3.306 1.00 0.00 C ATOM 1831 CD GLN A 118 2.625 -18.504 -4.743 1.00 0.00 C ATOM 1832 OE1 GLN A 118 3.251 -19.521 -5.021 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.947 -17.870 -5.691 1.00 0.00 N ATOM 0 H GLN A 118 3.852 -14.704 -2.424 1.00 0.00 H new ATOM 0 HA GLN A 118 1.198 -15.424 -1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.574 -16.164 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.307 -15.989 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.500 -18.261 -2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.758 -18.448 -2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.425 -17.024 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.948 -18.229 -6.646 1.00 0.00 H new ATOM 1842 N GLU A 119 3.440 -17.201 -0.243 1.00 0.00 N ATOM 1843 CA GLU A 119 3.681 -18.125 0.845 1.00 0.00 C ATOM 1844 C GLU A 119 3.183 -17.566 2.184 1.00 0.00 C ATOM 1845 O GLU A 119 2.624 -18.325 2.975 1.00 0.00 O ATOM 1846 CB GLU A 119 5.172 -18.509 0.803 1.00 0.00 C ATOM 1847 CG GLU A 119 5.506 -19.922 1.284 1.00 0.00 C ATOM 1848 CD GLU A 119 5.460 -20.107 2.799 1.00 0.00 C ATOM 1849 OE1 GLU A 119 6.210 -19.406 3.509 1.00 0.00 O ATOM 1850 OE2 GLU A 119 4.720 -21.004 3.269 1.00 0.00 O ATOM 0 H GLU A 119 4.299 -16.823 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 119 3.101 -19.041 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.528 -18.400 -0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.729 -17.797 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.808 -20.622 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.502 -20.186 0.929 1.00 0.00 H new