USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 636 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 13 ASN : amide:sc= 0.159 K(o=0.095,f=-1.7) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0638 K(o=0.095,f=-4.5!) USER MOD Set 2.1: A 22 SER OG : rot -38:sc= 0.236 USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 THR OG1 : rot 37:sc= 0.482 USER MOD Set 3.2: A 62 SER OG : rot -45:sc= 0.148 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.728 (180deg=0.131) USER MOD Single : A 2 LYS NZ :NH3+ 140:sc= -1.9 (180deg=-3.73!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 154:sc= -0.0221 (180deg=-0.721) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.026) USER MOD Single : A 18 THR OG1 : rot -160:sc= -0.0699 USER MOD Single : A 20 SER OG : rot -64:sc= 1.24 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 48:sc= 0.136 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 53:sc= 0.0816 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -160:sc= -0.497 USER MOD Single : A 38 GLN : amide:sc= -3.26 X(o=-3.3,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 1.24 (180deg=0.109) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00776 USER MOD Single : A 56 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.8) USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 2.04 (180deg=-0.329) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.891 2.379 -3.421 1.00 0.00 N ATOM 2 CA MET A 1 11.463 2.108 -3.721 1.00 0.00 C ATOM 3 C MET A 1 11.161 0.620 -3.490 1.00 0.00 C ATOM 4 O MET A 1 10.705 -0.095 -4.393 1.00 0.00 O ATOM 5 CB MET A 1 11.129 2.561 -5.174 1.00 0.00 C ATOM 6 CG MET A 1 11.351 4.056 -5.415 1.00 0.00 C ATOM 7 SD MET A 1 11.028 4.570 -7.115 1.00 0.00 S ATOM 8 CE MET A 1 11.430 6.319 -7.028 1.00 0.00 C ATOM 0 H1 MET A 1 12.963 2.917 -2.534 1.00 0.00 H new ATOM 0 H2 MET A 1 13.402 1.479 -3.323 1.00 0.00 H new ATOM 0 H3 MET A 1 13.310 2.932 -4.196 1.00 0.00 H new ATOM 0 HA MET A 1 10.825 2.682 -3.049 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.743 1.993 -5.873 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.089 2.317 -5.392 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.706 4.623 -4.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.380 4.308 -5.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.279 6.776 -8.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.784 6.805 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.471 6.439 -6.728 1.00 0.00 H new ATOM 20 N LYS A 2 11.454 0.161 -2.256 1.00 0.00 N ATOM 21 CA LYS A 2 11.249 -1.245 -1.826 1.00 0.00 C ATOM 22 C LYS A 2 10.651 -1.287 -0.407 1.00 0.00 C ATOM 23 O LYS A 2 10.321 -0.241 0.157 1.00 0.00 O ATOM 24 CB LYS A 2 12.593 -2.037 -1.869 1.00 0.00 C ATOM 25 CG LYS A 2 13.172 -2.263 -3.284 1.00 0.00 C ATOM 26 CD LYS A 2 14.441 -3.161 -3.324 1.00 0.00 C ATOM 27 CE LYS A 2 15.722 -2.466 -2.819 1.00 0.00 C ATOM 28 NZ LYS A 2 15.707 -2.188 -1.362 1.00 0.00 N ATOM 0 H LYS A 2 11.842 0.755 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 2 10.550 -1.717 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.332 -1.503 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.441 -3.007 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.403 -2.715 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.413 -1.295 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.262 -4.051 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.603 -3.497 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.583 -3.093 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.855 -1.528 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.648 -2.378 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.457 -1.191 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.005 -2.800 -0.899 1.00 0.00 H new ATOM 42 N ILE A 3 10.492 -2.504 0.153 1.00 0.00 N ATOM 43 CA ILE A 3 10.081 -2.693 1.558 1.00 0.00 C ATOM 44 C ILE A 3 11.353 -2.807 2.427 1.00 0.00 C ATOM 45 O ILE A 3 11.958 -3.883 2.528 1.00 0.00 O ATOM 46 CB ILE A 3 9.170 -3.973 1.748 1.00 0.00 C ATOM 47 CG1 ILE A 3 8.007 -3.998 0.699 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.616 -4.036 3.202 1.00 0.00 C ATOM 49 CD1 ILE A 3 7.146 -5.256 0.714 1.00 0.00 C ATOM 0 H ILE A 3 10.644 -3.377 -0.352 1.00 0.00 H new ATOM 0 HA ILE A 3 9.483 -1.835 1.864 1.00 0.00 H new ATOM 0 HB ILE A 3 9.784 -4.857 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.364 -3.135 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.435 -3.882 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.992 -4.922 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.447 -4.085 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.021 -3.145 3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.370 -5.175 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.769 -6.126 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.682 -5.368 1.694 1.00 0.00 H new ATOM 61 N ILE A 4 11.791 -1.664 2.985 1.00 0.00 N ATOM 62 CA ILE A 4 12.992 -1.587 3.848 1.00 0.00 C ATOM 63 C ILE A 4 12.597 -1.804 5.324 1.00 0.00 C ATOM 64 O ILE A 4 13.285 -2.511 6.072 1.00 0.00 O ATOM 65 CB ILE A 4 13.731 -0.201 3.656 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.166 -0.022 2.166 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.944 -0.033 4.611 1.00 0.00 C ATOM 68 CD1 ILE A 4 15.132 -1.082 1.650 1.00 0.00 C ATOM 0 H ILE A 4 11.325 -0.766 2.853 1.00 0.00 H new ATOM 0 HA ILE A 4 13.685 -2.376 3.557 1.00 0.00 H new ATOM 0 HB ILE A 4 13.020 0.583 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.274 -0.027 1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.630 0.958 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.413 0.935 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.604 -0.090 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.668 -0.826 4.423 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.377 -0.875 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.044 -1.065 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.667 -2.065 1.725 1.00 0.00 H new ATOM 80 N SER A 5 11.479 -1.184 5.722 1.00 0.00 N ATOM 81 CA SER A 5 10.877 -1.341 7.057 1.00 0.00 C ATOM 82 C SER A 5 9.348 -1.336 6.916 1.00 0.00 C ATOM 83 O SER A 5 8.812 -0.806 5.929 1.00 0.00 O ATOM 84 CB SER A 5 11.352 -0.215 8.007 1.00 0.00 C ATOM 85 OG SER A 5 12.769 -0.217 8.132 1.00 0.00 O ATOM 0 H SER A 5 10.957 -0.549 5.118 1.00 0.00 H new ATOM 0 HA SER A 5 11.194 -2.289 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.018 0.751 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.897 -0.346 8.989 1.00 0.00 H new ATOM 0 HG SER A 5 13.045 0.504 8.736 1.00 0.00 H new ATOM 91 N ILE A 6 8.652 -1.942 7.899 1.00 0.00 N ATOM 92 CA ILE A 6 7.178 -2.051 7.906 1.00 0.00 C ATOM 93 C ILE A 6 6.586 -1.182 9.031 1.00 0.00 C ATOM 94 O ILE A 6 6.072 -0.093 8.772 1.00 0.00 O ATOM 95 CB ILE A 6 6.720 -3.557 8.024 1.00 0.00 C ATOM 96 CG1 ILE A 6 7.242 -4.374 6.792 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.181 -3.682 8.186 1.00 0.00 C ATOM 98 CD1 ILE A 6 6.846 -5.839 6.767 1.00 0.00 C ATOM 0 H ILE A 6 9.096 -2.370 8.711 1.00 0.00 H new ATOM 0 HA ILE A 6 6.795 -1.676 6.957 1.00 0.00 H new ATOM 0 HB ILE A 6 7.160 -3.978 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.875 -3.900 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.330 -4.309 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.908 -4.734 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.866 -3.158 9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.687 -3.242 7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.257 -6.312 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.237 -6.337 7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.759 -5.922 6.753 1.00 0.00 H new ATOM 110 N SER A 7 6.709 -1.670 10.267 1.00 0.00 N ATOM 111 CA SER A 7 6.155 -1.034 11.488 1.00 0.00 C ATOM 112 C SER A 7 4.629 -0.839 11.360 1.00 0.00 C ATOM 113 O SER A 7 4.142 0.221 10.933 1.00 0.00 O ATOM 114 CB SER A 7 6.875 0.300 11.825 1.00 0.00 C ATOM 115 OG SER A 7 6.429 0.845 13.060 1.00 0.00 O ATOM 0 H SER A 7 7.207 -2.539 10.463 1.00 0.00 H new ATOM 0 HA SER A 7 6.339 -1.709 12.323 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.951 0.131 11.870 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.699 1.020 11.026 1.00 0.00 H new ATOM 0 HG SER A 7 6.905 1.683 13.239 1.00 0.00 H new ATOM 178 N HIS A 12 -3.685 -3.928 13.369 1.00 0.00 N ATOM 179 CA HIS A 12 -3.296 -4.344 12.010 1.00 0.00 C ATOM 180 C HIS A 12 -4.149 -3.670 10.924 1.00 0.00 C ATOM 181 O HIS A 12 -4.341 -4.234 9.848 1.00 0.00 O ATOM 182 CB HIS A 12 -3.305 -5.898 11.867 1.00 0.00 C ATOM 183 CG HIS A 12 -2.280 -6.594 12.726 1.00 0.00 C ATOM 184 ND1 HIS A 12 -2.604 -7.435 13.768 1.00 0.00 N ATOM 185 CD2 HIS A 12 -0.929 -6.577 12.672 1.00 0.00 C ATOM 186 CE1 HIS A 12 -1.501 -7.898 14.319 1.00 0.00 C ATOM 187 NE2 HIS A 12 -0.471 -7.397 13.670 1.00 0.00 N ATOM 0 HA HIS A 12 -2.272 -4.003 11.856 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.296 -6.272 12.125 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.128 -6.159 10.823 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.323 -6.020 11.972 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.450 -8.574 15.160 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.509 -7.588 13.877 1.00 0.00 H new ATOM 196 N ASN A 13 -4.633 -2.450 11.191 1.00 0.00 N ATOM 197 CA ASN A 13 -5.382 -1.678 10.181 1.00 0.00 C ATOM 198 C ASN A 13 -4.408 -1.070 9.165 1.00 0.00 C ATOM 199 O ASN A 13 -4.598 -1.237 7.967 1.00 0.00 O ATOM 200 CB ASN A 13 -6.272 -0.596 10.841 1.00 0.00 C ATOM 201 CG ASN A 13 -7.452 -1.177 11.633 1.00 0.00 C ATOM 202 OD1 ASN A 13 -7.388 -2.293 12.152 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.539 -0.428 11.739 1.00 0.00 N ATOM 0 H ASN A 13 -4.523 -1.977 12.088 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.053 -2.354 9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.659 0.010 11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.656 0.070 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.346 -0.772 12.259 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.569 0.493 11.301 1.00 0.00 H new ATOM 210 N THR A 14 -3.329 -0.420 9.639 1.00 0.00 N ATOM 211 CA THR A 14 -2.320 0.196 8.748 1.00 0.00 C ATOM 212 C THR A 14 -0.888 -0.258 9.101 1.00 0.00 C ATOM 213 O THR A 14 -0.539 -0.446 10.278 1.00 0.00 O ATOM 214 CB THR A 14 -2.407 1.770 8.738 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.436 2.319 7.826 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.193 2.387 10.130 1.00 0.00 C ATOM 0 H THR A 14 -3.131 -0.306 10.633 1.00 0.00 H new ATOM 0 HA THR A 14 -2.553 -0.155 7.743 1.00 0.00 H new ATOM 0 HB THR A 14 -3.417 2.021 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.359 1.738 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.264 3.473 10.062 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.956 2.016 10.814 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.207 2.111 10.503 1.00 0.00 H new ATOM 224 N MET A 15 -0.081 -0.466 8.047 1.00 0.00 N ATOM 225 CA MET A 15 1.372 -0.647 8.138 1.00 0.00 C ATOM 226 C MET A 15 2.047 0.279 7.127 1.00 0.00 C ATOM 227 O MET A 15 1.479 0.574 6.069 1.00 0.00 O ATOM 228 CB MET A 15 1.797 -2.122 7.889 1.00 0.00 C ATOM 229 CG MET A 15 1.487 -2.695 6.494 1.00 0.00 C ATOM 230 SD MET A 15 2.318 -4.278 6.183 1.00 0.00 S ATOM 231 CE MET A 15 1.836 -5.267 7.604 1.00 0.00 C ATOM 0 H MET A 15 -0.431 -0.513 7.090 1.00 0.00 H new ATOM 0 HA MET A 15 1.688 -0.396 9.151 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.870 -2.202 8.061 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.307 -2.750 8.633 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.410 -2.829 6.393 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.791 -1.975 5.735 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.866 -6.324 7.339 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.524 -5.080 8.428 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.824 -4.998 7.908 1.00 0.00 H new ATOM 241 N LYS A 16 3.253 0.740 7.461 1.00 0.00 N ATOM 242 CA LYS A 16 4.035 1.646 6.609 1.00 0.00 C ATOM 243 C LYS A 16 5.004 0.827 5.741 1.00 0.00 C ATOM 244 O LYS A 16 5.300 -0.324 6.059 1.00 0.00 O ATOM 245 CB LYS A 16 4.792 2.662 7.505 1.00 0.00 C ATOM 246 CG LYS A 16 3.874 3.503 8.424 1.00 0.00 C ATOM 247 CD LYS A 16 4.670 4.410 9.394 1.00 0.00 C ATOM 248 CE LYS A 16 3.760 5.329 10.220 1.00 0.00 C ATOM 249 NZ LYS A 16 2.800 4.569 11.061 1.00 0.00 N ATOM 0 H LYS A 16 3.720 0.496 8.334 1.00 0.00 H new ATOM 0 HA LYS A 16 3.376 2.202 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.509 2.121 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.365 3.336 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.219 4.121 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.233 2.835 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.259 3.787 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.373 5.017 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.374 5.965 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.209 5.988 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.243 5.232 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.162 4.020 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.322 3.922 11.686 1.00 0.00 H new ATOM 263 N ILE A 17 5.462 1.402 4.619 1.00 0.00 N ATOM 264 CA ILE A 17 6.462 0.765 3.735 1.00 0.00 C ATOM 265 C ILE A 17 7.545 1.795 3.401 1.00 0.00 C ATOM 266 O ILE A 17 7.372 2.620 2.494 1.00 0.00 O ATOM 267 CB ILE A 17 5.803 0.180 2.416 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.734 -0.910 2.770 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.873 -0.383 1.431 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.931 -1.436 1.595 1.00 0.00 C ATOM 0 H ILE A 17 5.154 2.319 4.296 1.00 0.00 H new ATOM 0 HA ILE A 17 6.906 -0.083 4.257 1.00 0.00 H new ATOM 0 HB ILE A 17 5.301 1.003 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.239 -1.749 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.044 -0.494 3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.379 -0.774 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.559 0.414 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.430 -1.184 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.220 -2.184 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.390 -0.614 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.605 -1.889 0.867 1.00 0.00 H new ATOM 282 N THR A 18 8.639 1.766 4.185 1.00 0.00 N ATOM 283 CA THR A 18 9.822 2.622 3.974 1.00 0.00 C ATOM 284 C THR A 18 10.430 2.346 2.589 1.00 0.00 C ATOM 285 O THR A 18 10.981 1.267 2.361 1.00 0.00 O ATOM 286 CB THR A 18 10.889 2.393 5.109 1.00 0.00 C ATOM 287 OG1 THR A 18 10.333 2.782 6.372 1.00 0.00 O ATOM 288 CG2 THR A 18 12.197 3.172 4.878 1.00 0.00 C ATOM 0 H THR A 18 8.728 1.144 4.988 1.00 0.00 H new ATOM 0 HA THR A 18 9.509 3.665 4.017 1.00 0.00 H new ATOM 0 HB THR A 18 11.137 1.332 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.057 2.946 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.890 2.971 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.646 2.858 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.982 4.240 4.839 1.00 0.00 H new ATOM 296 N LEU A 19 10.289 3.318 1.667 1.00 0.00 N ATOM 297 CA LEU A 19 10.780 3.187 0.281 1.00 0.00 C ATOM 298 C LEU A 19 12.290 3.440 0.190 1.00 0.00 C ATOM 299 O LEU A 19 12.922 2.946 -0.736 1.00 0.00 O ATOM 300 CB LEU A 19 10.016 4.153 -0.661 1.00 0.00 C ATOM 301 CG LEU A 19 8.485 3.880 -0.845 1.00 0.00 C ATOM 302 CD1 LEU A 19 7.873 4.841 -1.892 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.195 2.401 -1.211 1.00 0.00 C ATOM 0 H LEU A 19 9.835 4.211 1.860 1.00 0.00 H new ATOM 0 HA LEU A 19 10.594 2.161 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.139 5.168 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.489 4.119 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 19 8.007 4.071 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.809 4.631 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.007 5.871 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.371 4.699 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.121 2.259 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.698 2.152 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.562 1.751 -0.417 1.00 0.00 H new ATOM 315 N SER A 20 12.793 4.245 1.148 1.00 0.00 N ATOM 316 CA SER A 20 14.228 4.588 1.400 1.00 0.00 C ATOM 317 C SER A 20 14.632 5.952 0.802 1.00 0.00 C ATOM 318 O SER A 20 15.747 6.425 1.058 1.00 0.00 O ATOM 319 CB SER A 20 15.275 3.485 1.010 1.00 0.00 C ATOM 320 OG SER A 20 15.464 3.359 -0.400 1.00 0.00 O ATOM 0 H SER A 20 12.177 4.708 1.815 1.00 0.00 H new ATOM 0 HA SER A 20 14.269 4.653 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.231 3.720 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.949 2.526 1.413 1.00 0.00 H new ATOM 0 HG SER A 20 14.629 3.058 -0.816 1.00 0.00 H new ATOM 326 N GLU A 21 13.737 6.596 0.024 1.00 0.00 N ATOM 327 CA GLU A 21 14.014 7.919 -0.585 1.00 0.00 C ATOM 328 C GLU A 21 13.565 9.047 0.378 1.00 0.00 C ATOM 329 O GLU A 21 12.645 9.815 0.055 1.00 0.00 O ATOM 330 CB GLU A 21 13.308 8.067 -1.978 1.00 0.00 C ATOM 331 CG GLU A 21 13.832 7.148 -3.116 1.00 0.00 C ATOM 332 CD GLU A 21 13.600 5.654 -2.862 1.00 0.00 C ATOM 333 OE1 GLU A 21 12.447 5.275 -2.599 1.00 0.00 O ATOM 334 OE2 GLU A 21 14.558 4.851 -2.920 1.00 0.00 O ATOM 0 H GLU A 21 12.814 6.223 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 21 15.088 8.000 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.244 7.873 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.405 9.103 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.345 7.428 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.900 7.323 -3.249 1.00 0.00 H new ATOM 341 N SER A 22 14.201 9.118 1.578 1.00 0.00 N ATOM 342 CA SER A 22 13.882 10.137 2.607 1.00 0.00 C ATOM 343 C SER A 22 14.230 11.549 2.111 1.00 0.00 C ATOM 344 O SER A 22 15.334 12.062 2.337 1.00 0.00 O ATOM 345 CB SER A 22 14.606 9.823 3.934 1.00 0.00 C ATOM 346 OG SER A 22 14.155 8.603 4.479 1.00 0.00 O ATOM 0 H SER A 22 14.943 8.475 1.855 1.00 0.00 H new ATOM 0 HA SER A 22 12.808 10.103 2.792 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.681 9.774 3.763 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.433 10.630 4.646 1.00 0.00 H new ATOM 0 HG SER A 22 13.189 8.518 4.335 1.00 0.00 H new ATOM 352 N ARG A 23 13.285 12.139 1.370 1.00 0.00 N ATOM 353 CA ARG A 23 13.418 13.480 0.786 1.00 0.00 C ATOM 354 C ARG A 23 12.563 14.480 1.600 1.00 0.00 C ATOM 355 O ARG A 23 12.473 15.656 1.241 1.00 0.00 O ATOM 356 CB ARG A 23 12.984 13.422 -0.712 1.00 0.00 C ATOM 357 CG ARG A 23 13.439 14.616 -1.586 1.00 0.00 C ATOM 358 CD ARG A 23 13.100 14.396 -3.076 1.00 0.00 C ATOM 359 NE ARG A 23 13.711 13.156 -3.600 1.00 0.00 N ATOM 360 CZ ARG A 23 13.351 12.529 -4.738 1.00 0.00 C ATOM 361 NH1 ARG A 23 12.378 12.996 -5.506 1.00 0.00 N ATOM 362 NH2 ARG A 23 13.978 11.426 -5.104 1.00 0.00 N ATOM 0 H ARG A 23 12.393 11.692 1.156 1.00 0.00 H new ATOM 0 HA ARG A 23 14.452 13.821 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.376 12.504 -1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.897 13.357 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.958 15.528 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.514 14.759 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.018 14.349 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.450 15.248 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 23 14.467 12.741 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.883 13.848 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.124 12.504 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.731 11.052 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.709 10.948 -5.964 1.00 0.00 H new ATOM 376 N GLU A 24 11.966 13.974 2.725 1.00 0.00 N ATOM 377 CA GLU A 24 11.135 14.741 3.688 1.00 0.00 C ATOM 378 C GLU A 24 9.818 15.210 3.034 1.00 0.00 C ATOM 379 O GLU A 24 8.741 14.689 3.343 1.00 0.00 O ATOM 380 CB GLU A 24 11.923 15.921 4.354 1.00 0.00 C ATOM 381 CG GLU A 24 13.018 15.498 5.365 1.00 0.00 C ATOM 382 CD GLU A 24 14.115 14.584 4.776 1.00 0.00 C ATOM 383 OE1 GLU A 24 14.964 15.080 4.005 1.00 0.00 O ATOM 384 OE2 GLU A 24 14.122 13.367 5.073 1.00 0.00 O ATOM 0 H GLU A 24 12.058 12.992 2.986 1.00 0.00 H new ATOM 0 HA GLU A 24 10.873 14.063 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.388 16.515 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.211 16.569 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.488 16.395 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.544 14.983 6.201 1.00 0.00 H new ATOM 391 N GLY A 25 9.923 16.179 2.123 1.00 0.00 N ATOM 392 CA GLY A 25 8.792 16.650 1.321 1.00 0.00 C ATOM 393 C GLY A 25 8.621 15.846 0.035 1.00 0.00 C ATOM 394 O GLY A 25 8.615 16.414 -1.061 1.00 0.00 O ATOM 0 H GLY A 25 10.798 16.661 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.878 16.585 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.938 17.701 1.073 1.00 0.00 H new ATOM 398 N MET A 26 8.473 14.509 0.167 1.00 0.00 N ATOM 399 CA MET A 26 8.182 13.600 -0.976 1.00 0.00 C ATOM 400 C MET A 26 6.649 13.382 -1.053 1.00 0.00 C ATOM 401 O MET A 26 6.158 12.254 -1.182 1.00 0.00 O ATOM 402 CB MET A 26 8.968 12.261 -0.790 1.00 0.00 C ATOM 403 CG MET A 26 8.953 11.300 -1.998 1.00 0.00 C ATOM 404 SD MET A 26 9.706 9.695 -1.626 1.00 0.00 S ATOM 405 CE MET A 26 9.519 8.820 -3.184 1.00 0.00 C ATOM 0 H MET A 26 8.551 14.027 1.062 1.00 0.00 H new ATOM 0 HA MET A 26 8.510 14.036 -1.920 1.00 0.00 H new ATOM 0 HB2 MET A 26 10.005 12.500 -0.553 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.556 11.737 0.072 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.924 11.147 -2.322 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.484 11.761 -2.830 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.941 7.819 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.461 8.746 -3.435 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.042 9.363 -3.971 1.00 0.00 H new ATOM 415 N THR A 27 5.919 14.515 -0.961 1.00 0.00 N ATOM 416 CA THR A 27 4.443 14.594 -0.964 1.00 0.00 C ATOM 417 C THR A 27 3.823 13.983 0.329 1.00 0.00 C ATOM 418 O THR A 27 4.428 13.132 0.997 1.00 0.00 O ATOM 419 CB THR A 27 3.807 13.937 -2.250 1.00 0.00 C ATOM 420 OG1 THR A 27 4.585 14.271 -3.410 1.00 0.00 O ATOM 421 CG2 THR A 27 2.355 14.392 -2.484 1.00 0.00 C ATOM 0 H THR A 27 6.358 15.432 -0.880 1.00 0.00 H new ATOM 0 HA THR A 27 4.199 15.656 -0.984 1.00 0.00 H new ATOM 0 HB THR A 27 3.805 12.860 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.184 13.858 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.963 13.912 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.743 14.113 -1.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.329 15.474 -2.611 1.00 0.00 H new ATOM 429 N SER A 28 2.613 14.446 0.664 1.00 0.00 N ATOM 430 CA SER A 28 1.804 13.948 1.786 1.00 0.00 C ATOM 431 C SER A 28 0.350 13.774 1.296 1.00 0.00 C ATOM 432 O SER A 28 -0.514 14.627 1.531 1.00 0.00 O ATOM 433 CB SER A 28 1.917 14.910 2.998 1.00 0.00 C ATOM 434 OG SER A 28 1.636 16.256 2.633 1.00 0.00 O ATOM 0 H SER A 28 2.156 15.198 0.149 1.00 0.00 H new ATOM 0 HA SER A 28 2.169 12.980 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.226 14.593 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.921 14.849 3.418 1.00 0.00 H new ATOM 0 HG SER A 28 0.806 16.287 2.112 1.00 0.00 H new ATOM 440 N ASP A 29 0.105 12.664 0.576 1.00 0.00 N ATOM 441 CA ASP A 29 -1.117 12.474 -0.242 1.00 0.00 C ATOM 442 C ASP A 29 -1.856 11.194 0.151 1.00 0.00 C ATOM 443 O ASP A 29 -1.228 10.188 0.485 1.00 0.00 O ATOM 444 CB ASP A 29 -0.723 12.417 -1.750 1.00 0.00 C ATOM 445 CG ASP A 29 -1.872 12.652 -2.761 1.00 0.00 C ATOM 446 OD1 ASP A 29 -3.026 12.927 -2.358 1.00 0.00 O ATOM 447 OD2 ASP A 29 -1.610 12.585 -3.985 1.00 0.00 O ATOM 0 H ASP A 29 0.746 11.871 0.542 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.787 13.315 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.052 13.162 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.281 11.442 -1.953 1.00 0.00 H new ATOM 452 N THR A 30 -3.192 11.248 0.090 1.00 0.00 N ATOM 453 CA THR A 30 -4.071 10.104 0.349 1.00 0.00 C ATOM 454 C THR A 30 -4.535 9.489 -0.977 1.00 0.00 C ATOM 455 O THR A 30 -4.666 10.186 -1.998 1.00 0.00 O ATOM 456 CB THR A 30 -5.309 10.507 1.216 1.00 0.00 C ATOM 457 OG1 THR A 30 -6.144 9.354 1.475 1.00 0.00 O ATOM 458 CG2 THR A 30 -6.152 11.612 0.554 1.00 0.00 C ATOM 0 H THR A 30 -3.699 12.101 -0.144 1.00 0.00 H new ATOM 0 HA THR A 30 -3.499 9.367 0.913 1.00 0.00 H new ATOM 0 HB THR A 30 -4.920 10.900 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.913 9.623 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.999 11.856 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.538 12.501 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.517 11.262 -0.412 1.00 0.00 H new ATOM 466 N TYR A 31 -4.775 8.173 -0.940 1.00 0.00 N ATOM 467 CA TYR A 31 -5.199 7.361 -2.082 1.00 0.00 C ATOM 468 C TYR A 31 -6.226 6.339 -1.575 1.00 0.00 C ATOM 469 O TYR A 31 -5.884 5.481 -0.760 1.00 0.00 O ATOM 470 CB TYR A 31 -3.990 6.633 -2.725 1.00 0.00 C ATOM 471 CG TYR A 31 -2.852 7.554 -3.182 1.00 0.00 C ATOM 472 CD1 TYR A 31 -3.044 8.462 -4.225 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.587 7.517 -2.586 1.00 0.00 C ATOM 474 CE1 TYR A 31 -2.027 9.287 -4.643 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.570 8.344 -3.006 1.00 0.00 C ATOM 476 CZ TYR A 31 -0.796 9.224 -4.040 1.00 0.00 C ATOM 477 OH TYR A 31 0.210 10.056 -4.466 1.00 0.00 O ATOM 0 H TYR A 31 -4.675 7.627 -0.084 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.639 8.000 -2.848 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.592 5.916 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.343 6.062 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.007 8.517 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.404 6.824 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.197 9.987 -5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.398 8.303 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.105 10.984 -4.453 1.00 0.00 H new ATOM 487 N THR A 32 -7.485 6.454 -2.022 1.00 0.00 N ATOM 488 CA THR A 32 -8.591 5.566 -1.593 1.00 0.00 C ATOM 489 C THR A 32 -9.443 5.155 -2.803 1.00 0.00 C ATOM 490 O THR A 32 -9.785 3.979 -2.975 1.00 0.00 O ATOM 491 CB THR A 32 -9.516 6.265 -0.527 1.00 0.00 C ATOM 492 OG1 THR A 32 -10.004 7.519 -1.039 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.800 6.517 0.806 1.00 0.00 C ATOM 0 H THR A 32 -7.772 7.166 -2.694 1.00 0.00 H new ATOM 0 HA THR A 32 -8.141 4.684 -1.137 1.00 0.00 H new ATOM 0 HB THR A 32 -10.343 5.581 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.579 7.944 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.486 7.000 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.467 5.568 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.937 7.162 0.639 1.00 0.00 H new ATOM 501 N LYS A 33 -9.722 6.139 -3.667 1.00 0.00 N ATOM 502 CA LYS A 33 -10.779 6.060 -4.694 1.00 0.00 C ATOM 503 C LYS A 33 -10.198 5.882 -6.111 1.00 0.00 C ATOM 504 O LYS A 33 -10.815 6.323 -7.093 1.00 0.00 O ATOM 505 CB LYS A 33 -11.639 7.353 -4.594 1.00 0.00 C ATOM 506 CG LYS A 33 -10.833 8.666 -4.750 1.00 0.00 C ATOM 507 CD LYS A 33 -11.690 9.935 -4.563 1.00 0.00 C ATOM 508 CE LYS A 33 -10.859 11.229 -4.660 1.00 0.00 C ATOM 509 NZ LYS A 33 -11.688 12.444 -4.433 1.00 0.00 N ATOM 0 H LYS A 33 -9.216 7.025 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.397 5.181 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.412 7.322 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.147 7.364 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.021 8.674 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.375 8.688 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.475 9.954 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.184 9.896 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.053 11.198 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.393 11.287 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.090 13.291 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.442 12.489 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.113 12.402 -3.485 1.00 0.00 H new ATOM 523 N VAL A 34 -9.049 5.171 -6.201 1.00 0.00 N ATOM 524 CA VAL A 34 -8.304 4.950 -7.466 1.00 0.00 C ATOM 525 C VAL A 34 -7.977 6.321 -8.111 1.00 0.00 C ATOM 526 O VAL A 34 -8.494 6.704 -9.168 1.00 0.00 O ATOM 527 CB VAL A 34 -9.077 3.956 -8.433 1.00 0.00 C ATOM 528 CG1 VAL A 34 -8.319 3.698 -9.761 1.00 0.00 C ATOM 529 CG2 VAL A 34 -9.374 2.622 -7.698 1.00 0.00 C ATOM 0 H VAL A 34 -8.609 4.731 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.357 4.454 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.017 4.436 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.895 3.011 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.184 4.640 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.344 3.261 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.904 1.947 -8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.436 2.162 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.990 2.819 -6.821 1.00 0.00 H new ATOM 539 N ASP A 35 -7.149 7.071 -7.377 1.00 0.00 N ATOM 540 CA ASP A 35 -6.839 8.482 -7.654 1.00 0.00 C ATOM 541 C ASP A 35 -5.899 8.621 -8.863 1.00 0.00 C ATOM 542 O ASP A 35 -4.921 7.871 -8.973 1.00 0.00 O ATOM 543 CB ASP A 35 -6.187 9.124 -6.400 1.00 0.00 C ATOM 544 CG ASP A 35 -7.098 9.086 -5.151 1.00 0.00 C ATOM 545 OD1 ASP A 35 -7.399 7.970 -4.651 1.00 0.00 O ATOM 546 OD2 ASP A 35 -7.509 10.161 -4.659 1.00 0.00 O ATOM 0 H ASP A 35 -6.664 6.709 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.769 8.998 -7.892 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.255 8.605 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.930 10.160 -6.622 1.00 0.00 H new ATOM 551 N ASP A 36 -6.210 9.571 -9.766 1.00 0.00 N ATOM 552 CA ASP A 36 -5.353 9.892 -10.924 1.00 0.00 C ATOM 553 C ASP A 36 -4.153 10.742 -10.451 1.00 0.00 C ATOM 554 O ASP A 36 -4.258 11.972 -10.343 1.00 0.00 O ATOM 555 CB ASP A 36 -6.185 10.620 -12.022 1.00 0.00 C ATOM 556 CG ASP A 36 -5.360 11.047 -13.258 1.00 0.00 C ATOM 557 OD1 ASP A 36 -5.124 10.208 -14.153 1.00 0.00 O ATOM 558 OD2 ASP A 36 -4.945 12.225 -13.346 1.00 0.00 O ATOM 0 H ASP A 36 -7.058 10.135 -9.714 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.966 8.974 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.992 9.963 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.649 11.504 -11.585 1.00 0.00 H new ATOM 563 N SER A 37 -3.043 10.046 -10.116 1.00 0.00 N ATOM 564 CA SER A 37 -1.794 10.649 -9.611 1.00 0.00 C ATOM 565 C SER A 37 -0.758 9.530 -9.397 1.00 0.00 C ATOM 566 O SER A 37 0.301 9.505 -10.033 1.00 0.00 O ATOM 567 CB SER A 37 -2.055 11.425 -8.292 1.00 0.00 C ATOM 568 OG SER A 37 -2.800 10.637 -7.376 1.00 0.00 O ATOM 0 H SER A 37 -2.992 9.030 -10.192 1.00 0.00 H new ATOM 0 HA SER A 37 -1.410 11.364 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.105 11.712 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.596 12.346 -8.509 1.00 0.00 H new ATOM 0 HG SER A 37 -3.220 11.220 -6.710 1.00 0.00 H new ATOM 574 N GLN A 38 -1.112 8.607 -8.491 1.00 0.00 N ATOM 575 CA GLN A 38 -0.327 7.401 -8.163 1.00 0.00 C ATOM 576 C GLN A 38 -0.128 6.482 -9.404 1.00 0.00 C ATOM 577 O GLN A 38 -0.989 6.461 -10.295 1.00 0.00 O ATOM 578 CB GLN A 38 -1.081 6.615 -7.042 1.00 0.00 C ATOM 579 CG GLN A 38 -2.535 6.273 -7.421 1.00 0.00 C ATOM 580 CD GLN A 38 -3.385 5.673 -6.307 1.00 0.00 C ATOM 581 OE1 GLN A 38 -2.909 4.959 -5.439 1.00 0.00 O ATOM 582 NE2 GLN A 38 -4.665 5.989 -6.325 1.00 0.00 N ATOM 0 H GLN A 38 -1.974 8.678 -7.950 1.00 0.00 H new ATOM 0 HA GLN A 38 0.663 7.709 -7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.541 5.693 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.079 7.207 -6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.022 7.182 -7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.518 5.574 -8.257 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.032 6.588 -7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.288 5.634 -5.599 1.00 0.00 H new ATOM 591 N PRO A 39 1.016 5.719 -9.482 1.00 0.00 N ATOM 592 CA PRO A 39 1.206 4.633 -10.481 1.00 0.00 C ATOM 593 C PRO A 39 0.024 3.643 -10.510 1.00 0.00 C ATOM 594 O PRO A 39 -0.630 3.434 -9.478 1.00 0.00 O ATOM 595 CB PRO A 39 2.501 3.926 -9.995 1.00 0.00 C ATOM 596 CG PRO A 39 3.269 4.993 -9.279 1.00 0.00 C ATOM 597 CD PRO A 39 2.232 5.895 -8.635 1.00 0.00 C ATOM 0 HA PRO A 39 1.270 5.020 -11.498 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.272 3.091 -9.333 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.070 3.522 -10.832 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.930 4.560 -8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.897 5.553 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.042 5.608 -7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.561 6.934 -8.622 1.00 0.00 H new ATOM 605 N ALA A 40 -0.221 3.032 -11.688 1.00 0.00 N ATOM 606 CA ALA A 40 -1.319 2.052 -11.883 1.00 0.00 C ATOM 607 C ALA A 40 -1.242 0.914 -10.848 1.00 0.00 C ATOM 608 O ALA A 40 -2.259 0.489 -10.303 1.00 0.00 O ATOM 609 CB ALA A 40 -1.280 1.498 -13.316 1.00 0.00 C ATOM 0 H ALA A 40 0.331 3.200 -12.529 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.269 2.564 -11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.089 0.780 -13.451 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.400 2.316 -14.026 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.324 1.004 -13.489 1.00 0.00 H new ATOM 615 N PHE A 41 0.003 0.519 -10.541 1.00 0.00 N ATOM 616 CA PHE A 41 0.338 -0.532 -9.558 1.00 0.00 C ATOM 617 C PHE A 41 -0.270 -0.237 -8.167 1.00 0.00 C ATOM 618 O PHE A 41 -0.782 -1.139 -7.497 1.00 0.00 O ATOM 619 CB PHE A 41 1.879 -0.648 -9.441 1.00 0.00 C ATOM 620 CG PHE A 41 2.600 -0.914 -10.766 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.765 -2.213 -11.243 1.00 0.00 C ATOM 622 CD2 PHE A 41 3.107 0.136 -11.538 1.00 0.00 C ATOM 623 CE1 PHE A 41 3.411 -2.454 -12.443 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.754 -0.108 -12.735 1.00 0.00 C ATOM 625 CZ PHE A 41 3.905 -1.402 -13.190 1.00 0.00 C ATOM 0 H PHE A 41 0.828 0.930 -10.978 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.087 -1.472 -9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.268 0.274 -9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.118 -1.452 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.383 -3.044 -10.668 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.991 1.153 -11.194 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.529 -3.468 -12.797 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.142 0.716 -13.315 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.408 -1.592 -14.127 1.00 0.00 H new ATOM 635 N ILE A 42 -0.226 1.046 -7.766 1.00 0.00 N ATOM 636 CA ILE A 42 -0.732 1.508 -6.455 1.00 0.00 C ATOM 637 C ILE A 42 -2.280 1.559 -6.464 1.00 0.00 C ATOM 638 O ILE A 42 -2.933 1.339 -5.427 1.00 0.00 O ATOM 639 CB ILE A 42 -0.118 2.913 -6.066 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.432 2.930 -6.299 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.442 3.288 -4.594 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.216 1.974 -5.412 1.00 0.00 C ATOM 0 H ILE A 42 0.161 1.795 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.416 0.793 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.578 3.659 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.632 2.684 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.800 3.943 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.005 4.259 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.523 3.335 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.026 2.533 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.279 2.053 -5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.051 2.231 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.881 0.953 -5.592 1.00 0.00 H new ATOM 654 N ASN A 43 -2.865 1.794 -7.660 1.00 0.00 N ATOM 655 CA ASN A 43 -4.325 1.767 -7.853 1.00 0.00 C ATOM 656 C ASN A 43 -4.834 0.323 -7.755 1.00 0.00 C ATOM 657 O ASN A 43 -5.927 0.086 -7.244 1.00 0.00 O ATOM 658 CB ASN A 43 -4.726 2.375 -9.218 1.00 0.00 C ATOM 659 CG ASN A 43 -4.464 3.874 -9.317 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.293 4.690 -8.925 1.00 0.00 O ATOM 661 ND2 ASN A 43 -3.329 4.258 -9.857 1.00 0.00 N ATOM 0 H ASN A 43 -2.340 2.005 -8.509 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.781 2.371 -7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.176 1.865 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.785 2.187 -9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.122 5.252 -9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.655 3.562 -10.176 1.00 0.00 H new ATOM 668 N ASP A 44 -4.013 -0.634 -8.239 1.00 0.00 N ATOM 669 CA ASP A 44 -4.308 -2.076 -8.135 1.00 0.00 C ATOM 670 C ASP A 44 -4.325 -2.526 -6.674 1.00 0.00 C ATOM 671 O ASP A 44 -5.109 -3.404 -6.316 1.00 0.00 O ATOM 672 CB ASP A 44 -3.300 -2.928 -8.947 1.00 0.00 C ATOM 673 CG ASP A 44 -3.533 -2.831 -10.456 1.00 0.00 C ATOM 674 OD1 ASP A 44 -4.562 -3.350 -10.937 1.00 0.00 O ATOM 675 OD2 ASP A 44 -2.703 -2.242 -11.171 1.00 0.00 O ATOM 0 H ASP A 44 -3.132 -0.428 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.299 -2.233 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.286 -2.602 -8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.377 -3.970 -8.637 1.00 0.00 H new ATOM 680 N ILE A 45 -3.449 -1.920 -5.845 1.00 0.00 N ATOM 681 CA ILE A 45 -3.436 -2.162 -4.383 1.00 0.00 C ATOM 682 C ILE A 45 -4.789 -1.752 -3.766 1.00 0.00 C ATOM 683 O ILE A 45 -5.361 -2.495 -2.975 1.00 0.00 O ATOM 684 CB ILE A 45 -2.256 -1.410 -3.646 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.873 -1.805 -4.258 1.00 0.00 C ATOM 686 CG2 ILE A 45 -2.283 -1.681 -2.112 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.321 -1.032 -3.708 1.00 0.00 C ATOM 0 H ILE A 45 -2.740 -1.259 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.271 -3.230 -4.241 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.400 -0.340 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.708 -2.869 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.915 -1.658 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.460 -1.150 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.229 -1.332 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.180 -2.751 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.233 -1.378 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.187 0.032 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.398 -1.197 -2.633 1.00 0.00 H new ATOM 699 N LEU A 46 -5.298 -0.576 -4.161 1.00 0.00 N ATOM 700 CA LEU A 46 -6.652 -0.116 -3.778 1.00 0.00 C ATOM 701 C LEU A 46 -7.752 -1.070 -4.295 1.00 0.00 C ATOM 702 O LEU A 46 -8.774 -1.265 -3.632 1.00 0.00 O ATOM 703 CB LEU A 46 -6.904 1.317 -4.297 1.00 0.00 C ATOM 704 CG LEU A 46 -6.032 2.428 -3.643 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.268 3.792 -4.318 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.286 2.501 -2.114 1.00 0.00 C ATOM 0 H LEU A 46 -4.791 0.083 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.698 -0.115 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.732 1.331 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.954 1.563 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.985 2.167 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.645 4.548 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.009 3.725 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.317 4.071 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.665 3.285 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.337 2.726 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.035 1.544 -1.657 1.00 0.00 H new ATOM 718 N LYS A 47 -7.533 -1.635 -5.494 1.00 0.00 N ATOM 719 CA LYS A 47 -8.468 -2.597 -6.120 1.00 0.00 C ATOM 720 C LYS A 47 -8.377 -3.993 -5.460 1.00 0.00 C ATOM 721 O LYS A 47 -9.260 -4.831 -5.676 1.00 0.00 O ATOM 722 CB LYS A 47 -8.222 -2.675 -7.655 1.00 0.00 C ATOM 723 CG LYS A 47 -8.538 -1.356 -8.400 1.00 0.00 C ATOM 724 CD LYS A 47 -8.226 -1.412 -9.914 1.00 0.00 C ATOM 725 CE LYS A 47 -8.557 -0.081 -10.616 1.00 0.00 C ATOM 726 NZ LYS A 47 -8.305 -0.127 -12.082 1.00 0.00 N ATOM 0 H LYS A 47 -6.706 -1.441 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.483 -2.235 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.181 -2.944 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.834 -3.474 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.592 -1.114 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.964 -0.547 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.172 -1.647 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.799 -2.218 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.603 0.168 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.960 0.717 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.544 0.793 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.301 -0.337 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.893 -0.869 -12.512 1.00 0.00 H new ATOM 740 N VAL A 48 -7.313 -4.238 -4.657 1.00 0.00 N ATOM 741 CA VAL A 48 -7.234 -5.435 -3.793 1.00 0.00 C ATOM 742 C VAL A 48 -8.310 -5.304 -2.702 1.00 0.00 C ATOM 743 O VAL A 48 -8.201 -4.424 -1.838 1.00 0.00 O ATOM 744 CB VAL A 48 -5.806 -5.620 -3.123 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.784 -6.788 -2.098 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.700 -5.802 -4.189 1.00 0.00 C ATOM 0 H VAL A 48 -6.502 -3.623 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.399 -6.317 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.599 -4.702 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.787 -6.875 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.506 -6.590 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.044 -7.719 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.736 -5.926 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.916 -6.685 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.668 -4.923 -4.833 1.00 0.00 H new ATOM 756 N GLU A 49 -9.359 -6.147 -2.793 1.00 0.00 N ATOM 757 CA GLU A 49 -10.504 -6.115 -1.867 1.00 0.00 C ATOM 758 C GLU A 49 -10.045 -6.340 -0.413 1.00 0.00 C ATOM 759 O GLU A 49 -9.685 -7.456 -0.024 1.00 0.00 O ATOM 760 CB GLU A 49 -11.570 -7.161 -2.291 1.00 0.00 C ATOM 761 CG GLU A 49 -12.156 -6.932 -3.699 1.00 0.00 C ATOM 762 CD GLU A 49 -13.278 -7.931 -4.076 1.00 0.00 C ATOM 763 OE1 GLU A 49 -13.034 -9.155 -4.038 1.00 0.00 O ATOM 764 OE2 GLU A 49 -14.395 -7.495 -4.441 1.00 0.00 O ATOM 0 H GLU A 49 -9.434 -6.868 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.960 -5.126 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.123 -8.154 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.383 -7.149 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.550 -5.917 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.354 -7.006 -4.433 1.00 0.00 H new ATOM 771 N GLY A 50 -10.024 -5.239 0.358 1.00 0.00 N ATOM 772 CA GLY A 50 -9.525 -5.232 1.725 1.00 0.00 C ATOM 773 C GLY A 50 -8.874 -3.895 2.049 1.00 0.00 C ATOM 774 O GLY A 50 -9.125 -3.309 3.111 1.00 0.00 O ATOM 0 H GLY A 50 -10.357 -4.329 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.344 -5.421 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.802 -6.037 1.858 1.00 0.00 H new ATOM 778 N VAL A 51 -8.040 -3.414 1.102 1.00 0.00 N ATOM 779 CA VAL A 51 -7.311 -2.134 1.222 1.00 0.00 C ATOM 780 C VAL A 51 -8.296 -0.958 1.109 1.00 0.00 C ATOM 781 O VAL A 51 -9.009 -0.818 0.110 1.00 0.00 O ATOM 782 CB VAL A 51 -6.172 -2.012 0.141 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.382 -0.679 0.274 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.222 -3.235 0.210 1.00 0.00 C ATOM 0 H VAL A 51 -7.853 -3.906 0.228 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.833 -2.106 2.201 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.649 -2.001 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.607 -0.638 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.063 0.162 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.921 -0.626 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.442 -3.133 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.766 -3.286 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.789 -4.147 0.024 1.00 0.00 H new ATOM 794 N LYS A 52 -8.319 -0.125 2.158 1.00 0.00 N ATOM 795 CA LYS A 52 -9.291 0.961 2.317 1.00 0.00 C ATOM 796 C LYS A 52 -8.643 2.325 2.032 1.00 0.00 C ATOM 797 O LYS A 52 -9.299 3.230 1.499 1.00 0.00 O ATOM 798 CB LYS A 52 -9.884 0.883 3.754 1.00 0.00 C ATOM 799 CG LYS A 52 -10.871 2.013 4.130 1.00 0.00 C ATOM 800 CD LYS A 52 -11.640 1.727 5.448 1.00 0.00 C ATOM 801 CE LYS A 52 -10.726 1.411 6.639 1.00 0.00 C ATOM 802 NZ LYS A 52 -9.807 2.521 6.955 1.00 0.00 N ATOM 0 H LYS A 52 -7.654 -0.189 2.929 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.099 0.850 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.395 -0.074 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.061 0.891 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.322 2.950 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.587 2.149 3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.256 2.592 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.317 0.888 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.338 1.190 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.146 0.514 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.768 2.657 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.856 2.296 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.148 3.394 6.504 1.00 0.00 H new ATOM 816 N SER A 53 -7.346 2.456 2.354 1.00 0.00 N ATOM 817 CA SER A 53 -6.613 3.720 2.200 1.00 0.00 C ATOM 818 C SER A 53 -5.116 3.465 1.962 1.00 0.00 C ATOM 819 O SER A 53 -4.616 2.369 2.213 1.00 0.00 O ATOM 820 CB SER A 53 -6.823 4.619 3.446 1.00 0.00 C ATOM 821 OG SER A 53 -6.214 5.890 3.284 1.00 0.00 O ATOM 0 H SER A 53 -6.780 1.693 2.726 1.00 0.00 H new ATOM 0 HA SER A 53 -7.007 4.238 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.890 4.747 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.408 4.126 4.325 1.00 0.00 H new ATOM 0 HG SER A 53 -6.367 6.431 4.087 1.00 0.00 H new ATOM 827 N ILE A 54 -4.430 4.492 1.435 1.00 0.00 N ATOM 828 CA ILE A 54 -2.968 4.531 1.218 1.00 0.00 C ATOM 829 C ILE A 54 -2.519 5.995 1.392 1.00 0.00 C ATOM 830 O ILE A 54 -2.945 6.858 0.631 1.00 0.00 O ATOM 831 CB ILE A 54 -2.556 4.020 -0.234 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.813 2.488 -0.410 1.00 0.00 C ATOM 833 CG2 ILE A 54 -1.084 4.373 -0.581 1.00 0.00 C ATOM 834 CD1 ILE A 54 -2.559 1.954 -1.809 1.00 0.00 C ATOM 0 H ILE A 54 -4.892 5.351 1.136 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.485 3.867 1.935 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.199 4.549 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.179 1.945 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.846 2.274 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.847 4.005 -1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.953 5.455 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.417 3.907 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.764 0.884 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.212 2.464 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.519 2.130 -2.082 1.00 0.00 H new ATOM 846 N PHE A 55 -1.673 6.278 2.393 1.00 0.00 N ATOM 847 CA PHE A 55 -1.178 7.641 2.659 1.00 0.00 C ATOM 848 C PHE A 55 0.356 7.679 2.539 1.00 0.00 C ATOM 849 O PHE A 55 1.063 7.102 3.370 1.00 0.00 O ATOM 850 CB PHE A 55 -1.653 8.112 4.063 1.00 0.00 C ATOM 851 CG PHE A 55 -1.264 9.548 4.412 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.758 10.620 3.671 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.408 9.832 5.474 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.410 11.919 3.978 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.062 11.132 5.783 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.561 12.178 5.034 1.00 0.00 C ATOM 0 H PHE A 55 -1.313 5.575 3.039 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.587 8.328 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.738 8.019 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.238 7.443 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.424 10.431 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.009 9.021 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.803 12.735 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.600 11.331 6.612 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.288 13.195 5.274 1.00 0.00 H new ATOM 866 N HIS A 56 0.867 8.346 1.488 1.00 0.00 N ATOM 867 CA HIS A 56 2.315 8.460 1.236 1.00 0.00 C ATOM 868 C HIS A 56 2.831 9.775 1.828 1.00 0.00 C ATOM 869 O HIS A 56 2.369 10.841 1.428 1.00 0.00 O ATOM 870 CB HIS A 56 2.599 8.396 -0.287 1.00 0.00 C ATOM 871 CG HIS A 56 4.062 8.509 -0.651 1.00 0.00 C ATOM 872 ND1 HIS A 56 4.541 9.374 -1.610 1.00 0.00 N ATOM 873 CD2 HIS A 56 5.139 7.826 -0.206 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.841 9.213 -1.744 1.00 0.00 C ATOM 875 NE2 HIS A 56 6.229 8.281 -0.905 1.00 0.00 N ATOM 0 H HIS A 56 0.290 8.819 0.792 1.00 0.00 H new ATOM 0 HA HIS A 56 2.834 7.629 1.713 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.211 7.456 -0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.050 9.198 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.142 7.063 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.479 9.755 -2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.186 7.948 -0.791 1.00 0.00 H new ATOM 884 N VAL A 57 3.787 9.686 2.778 1.00 0.00 N ATOM 885 CA VAL A 57 4.385 10.870 3.436 1.00 0.00 C ATOM 886 C VAL A 57 5.847 10.580 3.836 1.00 0.00 C ATOM 887 O VAL A 57 6.193 9.421 4.124 1.00 0.00 O ATOM 888 CB VAL A 57 3.519 11.329 4.678 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.441 10.239 5.753 1.00 0.00 C ATOM 890 CG2 VAL A 57 4.001 12.677 5.274 1.00 0.00 C ATOM 0 H VAL A 57 4.164 8.798 3.109 1.00 0.00 H new ATOM 0 HA VAL A 57 4.390 11.696 2.725 1.00 0.00 H new ATOM 0 HB VAL A 57 2.509 11.494 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.838 10.594 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.985 9.344 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.445 10.003 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.372 12.945 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.035 12.580 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.935 13.455 4.514 1.00 0.00 H new ATOM 900 N MET A 58 6.690 11.648 3.800 1.00 0.00 N ATOM 901 CA MET A 58 8.157 11.601 4.049 1.00 0.00 C ATOM 902 C MET A 58 8.882 10.827 2.925 1.00 0.00 C ATOM 903 O MET A 58 9.676 11.401 2.175 1.00 0.00 O ATOM 904 CB MET A 58 8.509 11.018 5.452 1.00 0.00 C ATOM 905 CG MET A 58 10.012 10.963 5.763 1.00 0.00 C ATOM 906 SD MET A 58 10.356 10.280 7.400 1.00 0.00 S ATOM 907 CE MET A 58 12.150 10.309 7.433 1.00 0.00 C ATOM 0 H MET A 58 6.359 12.590 3.591 1.00 0.00 H new ATOM 0 HA MET A 58 8.512 12.632 4.043 1.00 0.00 H new ATOM 0 HB2 MET A 58 8.015 11.620 6.215 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.099 10.011 5.526 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.514 10.358 5.008 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.430 11.967 5.697 1.00 0.00 H new ATOM 0 HE1 MET A 58 12.503 9.915 8.386 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.539 9.695 6.620 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.500 11.334 7.313 1.00 0.00 H new ATOM 917 N ASP A 59 8.626 9.515 2.892 1.00 0.00 N ATOM 918 CA ASP A 59 9.010 8.609 1.795 1.00 0.00 C ATOM 919 C ASP A 59 8.156 7.329 1.838 1.00 0.00 C ATOM 920 O ASP A 59 7.950 6.693 0.805 1.00 0.00 O ATOM 921 CB ASP A 59 10.514 8.228 1.854 1.00 0.00 C ATOM 922 CG ASP A 59 10.925 7.384 3.076 1.00 0.00 C ATOM 923 OD1 ASP A 59 11.133 7.966 4.160 1.00 0.00 O ATOM 924 OD2 ASP A 59 11.050 6.137 2.952 1.00 0.00 O ATOM 0 H ASP A 59 8.133 9.037 3.646 1.00 0.00 H new ATOM 0 HA ASP A 59 8.833 9.142 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.770 7.677 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.106 9.143 1.848 1.00 0.00 H new ATOM 929 N PHE A 60 7.641 6.972 3.034 1.00 0.00 N ATOM 930 CA PHE A 60 6.992 5.672 3.260 1.00 0.00 C ATOM 931 C PHE A 60 5.536 5.683 2.768 1.00 0.00 C ATOM 932 O PHE A 60 4.837 6.703 2.868 1.00 0.00 O ATOM 933 CB PHE A 60 7.076 5.254 4.763 1.00 0.00 C ATOM 934 CG PHE A 60 6.447 6.235 5.753 1.00 0.00 C ATOM 935 CD1 PHE A 60 5.082 6.192 6.037 1.00 0.00 C ATOM 936 CD2 PHE A 60 7.217 7.208 6.388 1.00 0.00 C ATOM 937 CE1 PHE A 60 4.509 7.089 6.911 1.00 0.00 C ATOM 938 CE2 PHE A 60 6.643 8.101 7.270 1.00 0.00 C ATOM 939 CZ PHE A 60 5.288 8.043 7.530 1.00 0.00 C ATOM 0 H PHE A 60 7.665 7.572 3.858 1.00 0.00 H new ATOM 0 HA PHE A 60 7.532 4.927 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.591 4.285 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.125 5.120 5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.464 5.443 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.277 7.264 6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.449 7.045 7.112 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.254 8.846 7.757 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.839 8.744 8.218 1.00 0.00 H new ATOM 949 N ILE A 61 5.104 4.548 2.209 1.00 0.00 N ATOM 950 CA ILE A 61 3.712 4.320 1.821 1.00 0.00 C ATOM 951 C ILE A 61 2.990 3.625 2.990 1.00 0.00 C ATOM 952 O ILE A 61 3.195 2.428 3.229 1.00 0.00 O ATOM 953 CB ILE A 61 3.622 3.441 0.510 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.345 4.146 -0.685 1.00 0.00 C ATOM 955 CG2 ILE A 61 2.156 3.111 0.149 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.306 3.376 -2.000 1.00 0.00 C ATOM 0 H ILE A 61 5.717 3.757 2.012 1.00 0.00 H new ATOM 0 HA ILE A 61 3.235 5.275 1.602 1.00 0.00 H new ATOM 0 HB ILE A 61 4.132 2.499 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.891 5.125 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.386 4.317 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.132 2.506 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.695 2.558 0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.605 4.037 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.832 3.942 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.788 2.407 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.270 3.227 -2.304 1.00 0.00 H new ATOM 968 N SER A 62 2.183 4.390 3.741 1.00 0.00 N ATOM 969 CA SER A 62 1.403 3.860 4.865 1.00 0.00 C ATOM 970 C SER A 62 0.106 3.248 4.314 1.00 0.00 C ATOM 971 O SER A 62 -0.906 3.942 4.148 1.00 0.00 O ATOM 972 CB SER A 62 1.122 4.968 5.914 1.00 0.00 C ATOM 973 OG SER A 62 0.570 4.433 7.114 1.00 0.00 O ATOM 0 H SER A 62 2.054 5.390 3.585 1.00 0.00 H new ATOM 0 HA SER A 62 1.969 3.084 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.048 5.495 6.143 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.434 5.701 5.493 1.00 0.00 H new ATOM 0 HG SER A 62 -0.134 3.789 6.891 1.00 0.00 H new ATOM 979 N VAL A 63 0.172 1.951 3.971 1.00 0.00 N ATOM 980 CA VAL A 63 -0.966 1.205 3.423 1.00 0.00 C ATOM 981 C VAL A 63 -1.920 0.845 4.570 1.00 0.00 C ATOM 982 O VAL A 63 -1.501 0.264 5.572 1.00 0.00 O ATOM 983 CB VAL A 63 -0.522 -0.118 2.676 1.00 0.00 C ATOM 984 CG1 VAL A 63 -1.737 -0.861 2.057 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.563 0.165 1.607 1.00 0.00 C ATOM 0 H VAL A 63 1.019 1.392 4.067 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.458 1.841 2.688 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.081 -0.775 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.393 -1.764 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.439 -1.131 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.233 -0.210 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.842 -0.767 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.171 0.862 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.441 0.600 2.086 1.00 0.00 H new ATOM 995 N ASP A 64 -3.189 1.215 4.410 1.00 0.00 N ATOM 996 CA ASP A 64 -4.256 0.959 5.389 1.00 0.00 C ATOM 997 C ASP A 64 -5.372 0.107 4.758 1.00 0.00 C ATOM 998 O ASP A 64 -5.637 0.178 3.554 1.00 0.00 O ATOM 999 CB ASP A 64 -4.799 2.309 5.951 1.00 0.00 C ATOM 1000 CG ASP A 64 -6.097 2.167 6.767 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -6.042 1.676 7.917 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -7.172 2.544 6.253 1.00 0.00 O ATOM 0 H ASP A 64 -3.516 1.711 3.581 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.850 0.391 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.034 2.764 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.976 2.992 5.120 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.020 -0.698 5.601 1.00 0.00 N ATOM 1008 CA LYS A 65 -7.104 -1.591 5.224 1.00 0.00 C ATOM 1009 C LYS A 65 -8.180 -1.576 6.315 1.00 0.00 C ATOM 1010 O LYS A 65 -8.054 -0.871 7.330 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.569 -3.034 5.007 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.948 -3.696 6.261 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.786 -5.220 6.102 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.372 -5.907 7.412 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.359 -5.679 8.509 1.00 0.00 N ATOM 0 H LYS A 65 -5.794 -0.744 6.595 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.541 -1.248 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.388 -3.660 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.819 -3.012 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.974 -3.249 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.577 -3.489 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.726 -5.648 5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.038 -5.425 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.265 -6.978 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.396 -5.535 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.905 -5.150 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.165 -5.134 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.696 -6.595 8.869 1.00 0.00 H new ATOM 1029 N GLU A 66 -9.243 -2.355 6.097 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.289 -2.574 7.101 1.00 0.00 C ATOM 1031 C GLU A 66 -9.814 -3.564 8.179 1.00 0.00 C ATOM 1032 O GLU A 66 -8.798 -4.259 8.009 1.00 0.00 O ATOM 1033 CB GLU A 66 -11.606 -3.062 6.421 1.00 0.00 C ATOM 1034 CG GLU A 66 -12.713 -1.989 6.306 1.00 0.00 C ATOM 1035 CD GLU A 66 -13.213 -1.446 7.668 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -13.279 -2.213 8.662 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -13.558 -0.248 7.745 1.00 0.00 O ATOM 0 H GLU A 66 -9.403 -2.851 5.220 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.498 -1.625 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.369 -3.427 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.997 -3.909 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.337 -1.157 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.558 -2.412 5.763 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.581 -3.624 9.277 1.00 0.00 N ATOM 1045 CA ASN A 67 -10.289 -4.491 10.424 1.00 0.00 C ATOM 1046 C ASN A 67 -10.417 -5.963 10.014 1.00 0.00 C ATOM 1047 O ASN A 67 -9.521 -6.774 10.270 1.00 0.00 O ATOM 1048 CB ASN A 67 -11.271 -4.214 11.593 1.00 0.00 C ATOM 1049 CG ASN A 67 -11.284 -2.773 12.109 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -11.026 -1.822 11.376 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -11.625 -2.607 13.382 1.00 0.00 N ATOM 0 H ASN A 67 -11.428 -3.067 9.393 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.272 -4.279 10.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.278 -4.476 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.020 -4.877 12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.679 -1.668 13.777 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.833 -3.418 13.964 1.00 0.00 H new ATOM 1058 N ASP A 68 -11.541 -6.271 9.343 1.00 0.00 N ATOM 1059 CA ASP A 68 -11.939 -7.651 8.999 1.00 0.00 C ATOM 1060 C ASP A 68 -10.945 -8.329 8.031 1.00 0.00 C ATOM 1061 O ASP A 68 -10.743 -9.549 8.100 1.00 0.00 O ATOM 1062 CB ASP A 68 -13.372 -7.668 8.409 1.00 0.00 C ATOM 1063 CG ASP A 68 -13.512 -6.892 7.084 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -13.551 -5.649 7.120 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -13.572 -7.525 6.002 1.00 0.00 O ATOM 0 H ASP A 68 -12.204 -5.566 9.021 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.925 -8.229 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.675 -8.702 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.061 -7.245 9.141 1.00 0.00 H new ATOM 1070 N ALA A 69 -10.341 -7.522 7.142 1.00 0.00 N ATOM 1071 CA ALA A 69 -9.356 -7.993 6.141 1.00 0.00 C ATOM 1072 C ALA A 69 -8.033 -8.441 6.800 1.00 0.00 C ATOM 1073 O ALA A 69 -7.747 -8.084 7.947 1.00 0.00 O ATOM 1074 CB ALA A 69 -9.100 -6.886 5.104 1.00 0.00 C ATOM 0 H ALA A 69 -10.520 -6.519 7.094 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.774 -8.866 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.375 -7.236 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.034 -6.636 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.709 -6.001 5.606 1.00 0.00 H new ATOM 1080 N ASN A 70 -7.228 -9.220 6.055 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.911 -9.721 6.517 1.00 0.00 C ATOM 1082 C ASN A 70 -4.793 -9.184 5.607 1.00 0.00 C ATOM 1083 O ASN A 70 -4.992 -9.021 4.393 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.866 -11.278 6.524 1.00 0.00 C ATOM 1085 CG ASN A 70 -6.840 -11.939 7.514 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.185 -11.368 8.549 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -7.266 -13.168 7.220 1.00 0.00 N ATOM 0 H ASN A 70 -7.469 -9.523 5.112 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.761 -9.366 7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.087 -11.640 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.852 -11.599 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.893 -13.657 7.859 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.965 -13.619 6.356 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.614 -8.929 6.205 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.390 -8.566 5.455 1.00 0.00 C ATOM 1096 C TRP A 71 -1.855 -9.772 4.649 1.00 0.00 C ATOM 1097 O TRP A 71 -1.063 -9.602 3.726 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.292 -8.024 6.405 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.592 -6.665 7.021 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.721 -6.360 8.354 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.790 -5.423 6.317 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.979 -5.020 8.506 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.029 -4.430 7.276 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.789 -5.057 4.969 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.259 -3.103 6.935 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -2.025 -3.738 4.631 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.255 -2.779 5.612 1.00 0.00 C ATOM 0 H TRP A 71 -3.480 -8.968 7.215 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.657 -7.775 4.754 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.139 -8.745 7.208 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.355 -7.958 5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.633 -7.070 9.163 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.112 -4.541 9.397 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.606 -5.795 4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.435 -2.354 7.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.031 -3.448 3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.434 -1.755 5.318 1.00 0.00 H new ATOM 1118 N GLU A 72 -2.318 -10.980 5.012 1.00 0.00 N ATOM 1119 CA GLU A 72 -2.006 -12.238 4.291 1.00 0.00 C ATOM 1120 C GLU A 72 -2.541 -12.216 2.840 1.00 0.00 C ATOM 1121 O GLU A 72 -2.026 -12.918 1.965 1.00 0.00 O ATOM 1122 CB GLU A 72 -2.597 -13.435 5.082 1.00 0.00 C ATOM 1123 CG GLU A 72 -2.091 -13.545 6.538 1.00 0.00 C ATOM 1124 CD GLU A 72 -0.577 -13.840 6.634 1.00 0.00 C ATOM 1125 OE1 GLU A 72 0.236 -12.889 6.651 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -0.197 -15.033 6.669 1.00 0.00 O ATOM 0 H GLU A 72 -2.925 -11.118 5.820 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.923 -12.343 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.683 -13.348 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.356 -14.358 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.308 -12.614 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.642 -14.335 7.049 1.00 0.00 H new ATOM 1133 N THR A 73 -3.578 -11.403 2.610 1.00 0.00 N ATOM 1134 CA THR A 73 -4.153 -11.161 1.281 1.00 0.00 C ATOM 1135 C THR A 73 -3.370 -10.055 0.551 1.00 0.00 C ATOM 1136 O THR A 73 -3.032 -10.180 -0.633 1.00 0.00 O ATOM 1137 CB THR A 73 -5.654 -10.743 1.415 1.00 0.00 C ATOM 1138 OG1 THR A 73 -6.368 -11.764 2.129 1.00 0.00 O ATOM 1139 CG2 THR A 73 -6.329 -10.497 0.051 1.00 0.00 C ATOM 0 H THR A 73 -4.049 -10.887 3.353 1.00 0.00 H new ATOM 0 HA THR A 73 -4.086 -12.082 0.702 1.00 0.00 H new ATOM 0 HB THR A 73 -5.682 -9.800 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.309 -11.505 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.369 -10.210 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.807 -9.698 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.289 -11.409 -0.544 1.00 0.00 H new ATOM 1147 N VAL A 74 -3.093 -8.979 1.295 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.557 -7.722 0.756 1.00 0.00 C ATOM 1149 C VAL A 74 -1.061 -7.848 0.360 1.00 0.00 C ATOM 1150 O VAL A 74 -0.717 -7.700 -0.820 1.00 0.00 O ATOM 1151 CB VAL A 74 -2.763 -6.559 1.798 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.259 -5.201 1.253 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.248 -6.468 2.232 1.00 0.00 C ATOM 0 H VAL A 74 -3.237 -8.955 2.305 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.108 -7.488 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.162 -6.796 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.420 -4.426 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.195 -5.272 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.807 -4.947 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.368 -5.658 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.871 -6.273 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.551 -7.409 2.691 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.207 -8.162 1.358 1.00 0.00 N ATOM 1164 CA LEU A 75 1.285 -8.176 1.236 1.00 0.00 C ATOM 1165 C LEU A 75 1.840 -8.958 0.003 1.00 0.00 C ATOM 1166 O LEU A 75 2.714 -8.413 -0.662 1.00 0.00 O ATOM 1167 CB LEU A 75 1.965 -8.659 2.578 1.00 0.00 C ATOM 1168 CG LEU A 75 2.382 -7.536 3.590 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.556 -6.694 3.046 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.186 -6.641 3.942 1.00 0.00 C ATOM 0 H LEU A 75 -0.530 -8.419 2.291 1.00 0.00 H new ATOM 0 HA LEU A 75 1.560 -7.137 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.279 -9.338 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.854 -9.236 2.323 1.00 0.00 H new ATOM 0 HG LEU A 75 2.720 -8.026 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.819 -5.925 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.417 -7.340 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.262 -6.222 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.503 -5.871 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.805 -6.170 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.400 -7.245 4.395 1.00 0.00 H new ATOM 1182 N PRO A 76 1.391 -10.230 -0.321 1.00 0.00 N ATOM 1183 CA PRO A 76 1.902 -10.974 -1.519 1.00 0.00 C ATOM 1184 C PRO A 76 1.744 -10.201 -2.851 1.00 0.00 C ATOM 1185 O PRO A 76 2.583 -10.309 -3.748 1.00 0.00 O ATOM 1186 CB PRO A 76 1.044 -12.266 -1.529 1.00 0.00 C ATOM 1187 CG PRO A 76 0.639 -12.465 -0.104 1.00 0.00 C ATOM 1188 CD PRO A 76 0.421 -11.072 0.450 1.00 0.00 C ATOM 0 HA PRO A 76 2.975 -11.149 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.174 -12.158 -2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.614 -13.117 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.270 -13.063 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.412 -12.993 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.606 -10.738 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.618 -11.031 1.521 1.00 0.00 H new ATOM 1196 N LYS A 77 0.658 -9.419 -2.948 1.00 0.00 N ATOM 1197 CA LYS A 77 0.315 -8.637 -4.156 1.00 0.00 C ATOM 1198 C LYS A 77 1.126 -7.326 -4.199 1.00 0.00 C ATOM 1199 O LYS A 77 1.638 -6.918 -5.248 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.204 -8.329 -4.143 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.099 -9.587 -4.082 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.601 -9.239 -3.967 1.00 0.00 C ATOM 1203 CE LYS A 77 -4.512 -10.472 -3.983 1.00 0.00 C ATOM 1204 NZ LYS A 77 -4.210 -11.408 -2.875 1.00 0.00 N ATOM 0 H LYS A 77 -0.014 -9.308 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 77 0.563 -9.217 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.428 -7.694 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.457 -7.759 -5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.936 -10.189 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.804 -10.198 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.769 -8.684 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.878 -8.580 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.552 -10.154 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.401 -10.991 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.093 -11.836 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.573 -12.156 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.751 -10.890 -2.098 1.00 0.00 H new ATOM 1218 N VAL A 78 1.234 -6.692 -3.026 1.00 0.00 N ATOM 1219 CA VAL A 78 1.874 -5.374 -2.848 1.00 0.00 C ATOM 1220 C VAL A 78 3.412 -5.475 -2.934 1.00 0.00 C ATOM 1221 O VAL A 78 4.072 -4.552 -3.414 1.00 0.00 O ATOM 1222 CB VAL A 78 1.393 -4.728 -1.492 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.059 -3.364 -1.207 1.00 0.00 C ATOM 1224 CG2 VAL A 78 -0.144 -4.589 -1.500 1.00 0.00 C ATOM 0 H VAL A 78 0.874 -7.083 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 78 1.567 -4.719 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 78 1.700 -5.395 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.689 -2.969 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.140 -3.492 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.819 -2.667 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.474 -4.142 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.447 -3.953 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.598 -5.574 -1.612 1.00 0.00 H new ATOM 1234 N GLU A 79 3.958 -6.616 -2.499 1.00 0.00 N ATOM 1235 CA GLU A 79 5.406 -6.922 -2.579 1.00 0.00 C ATOM 1236 C GLU A 79 5.909 -6.845 -4.041 1.00 0.00 C ATOM 1237 O GLU A 79 6.984 -6.294 -4.325 1.00 0.00 O ATOM 1238 CB GLU A 79 5.658 -8.338 -2.004 1.00 0.00 C ATOM 1239 CG GLU A 79 7.129 -8.787 -2.000 1.00 0.00 C ATOM 1240 CD GLU A 79 7.314 -10.225 -1.489 1.00 0.00 C ATOM 1241 OE1 GLU A 79 7.176 -11.176 -2.292 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.578 -10.413 -0.280 1.00 0.00 O ATOM 0 H GLU A 79 3.409 -7.365 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 79 5.956 -6.183 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.281 -8.371 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.076 -9.057 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.529 -8.712 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.709 -8.107 -1.376 1.00 0.00 H new ATOM 1249 N ALA A 80 5.072 -7.381 -4.952 1.00 0.00 N ATOM 1250 CA ALA A 80 5.335 -7.405 -6.405 1.00 0.00 C ATOM 1251 C ALA A 80 5.484 -5.983 -6.991 1.00 0.00 C ATOM 1252 O ALA A 80 6.242 -5.772 -7.938 1.00 0.00 O ATOM 1253 CB ALA A 80 4.213 -8.184 -7.125 1.00 0.00 C ATOM 0 H ALA A 80 4.185 -7.814 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 80 6.286 -7.913 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.411 -8.199 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.180 -9.206 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.255 -7.697 -6.940 1.00 0.00 H new ATOM 1259 N VAL A 81 4.750 -5.021 -6.405 1.00 0.00 N ATOM 1260 CA VAL A 81 4.751 -3.604 -6.835 1.00 0.00 C ATOM 1261 C VAL A 81 6.148 -2.954 -6.661 1.00 0.00 C ATOM 1262 O VAL A 81 6.587 -2.181 -7.518 1.00 0.00 O ATOM 1263 CB VAL A 81 3.646 -2.792 -6.044 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.698 -1.272 -6.325 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.235 -3.364 -6.345 1.00 0.00 C ATOM 0 H VAL A 81 4.133 -5.202 -5.613 1.00 0.00 H new ATOM 0 HA VAL A 81 4.513 -3.575 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 81 3.861 -2.915 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.917 -0.770 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.672 -0.881 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.542 -1.093 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.486 -2.795 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.033 -3.290 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.193 -4.409 -6.040 1.00 0.00 H new ATOM 1275 N PHE A 82 6.837 -3.270 -5.547 1.00 0.00 N ATOM 1276 CA PHE A 82 8.193 -2.722 -5.248 1.00 0.00 C ATOM 1277 C PHE A 82 9.342 -3.603 -5.774 1.00 0.00 C ATOM 1278 O PHE A 82 10.462 -3.529 -5.252 1.00 0.00 O ATOM 1279 CB PHE A 82 8.332 -2.534 -3.716 1.00 0.00 C ATOM 1280 CG PHE A 82 7.136 -1.831 -3.114 1.00 0.00 C ATOM 1281 CD1 PHE A 82 6.807 -0.531 -3.497 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.299 -2.487 -2.227 1.00 0.00 C ATOM 1283 CE1 PHE A 82 5.674 0.076 -3.011 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.185 -1.873 -1.732 1.00 0.00 C ATOM 1285 CZ PHE A 82 4.865 -0.598 -2.126 1.00 0.00 C ATOM 0 H PHE A 82 6.483 -3.904 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 82 8.278 -1.768 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.455 -3.508 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.234 -1.960 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.449 0.004 -4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.531 -3.497 -1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.420 1.078 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.553 -2.393 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.975 -0.122 -1.740 1.00 0.00 H new ATOM 1295 N GLU A 83 9.094 -4.414 -6.823 1.00 0.00 N ATOM 1296 CA GLU A 83 10.124 -5.329 -7.384 1.00 0.00 C ATOM 1297 C GLU A 83 9.946 -5.447 -8.904 1.00 0.00 C ATOM 1298 O GLU A 83 10.855 -5.123 -9.681 1.00 0.00 O ATOM 1299 CB GLU A 83 10.034 -6.748 -6.738 1.00 0.00 C ATOM 1300 CG GLU A 83 10.264 -6.820 -5.217 1.00 0.00 C ATOM 1301 CD GLU A 83 10.145 -8.254 -4.660 1.00 0.00 C ATOM 1302 OE1 GLU A 83 9.080 -8.885 -4.845 1.00 0.00 O ATOM 1303 OE2 GLU A 83 11.123 -8.765 -4.070 1.00 0.00 O ATOM 0 H GLU A 83 8.194 -4.458 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 83 11.104 -4.910 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.049 -7.161 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.765 -7.393 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.254 -6.426 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.540 -6.179 -4.714 1.00 0.00 H new ATOM 1310 N LEU A 84 8.736 -5.905 -9.289 1.00 0.00 N ATOM 1311 CA LEU A 84 8.341 -6.225 -10.686 1.00 0.00 C ATOM 1312 C LEU A 84 9.198 -7.377 -11.256 1.00 0.00 C ATOM 1313 O LEU A 84 9.411 -7.483 -12.472 1.00 0.00 O ATOM 1314 CB LEU A 84 8.353 -4.970 -11.628 1.00 0.00 C ATOM 1315 CG LEU A 84 7.392 -3.778 -11.257 1.00 0.00 C ATOM 1316 CD1 LEU A 84 6.001 -4.274 -10.810 1.00 0.00 C ATOM 1317 CD2 LEU A 84 8.022 -2.816 -10.225 1.00 0.00 C ATOM 0 H LEU A 84 7.983 -6.069 -8.621 1.00 0.00 H new ATOM 0 HA LEU A 84 7.305 -6.562 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.372 -4.584 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.104 -5.302 -12.636 1.00 0.00 H new ATOM 0 HG LEU A 84 7.245 -3.202 -12.171 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.372 -3.419 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.541 -4.843 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.107 -4.911 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.321 -2.012 -10.002 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.250 -3.363 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.940 -2.394 -10.634 1.00 0.00 H new