USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=25 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 38 GLN : amide:sc= -1.77 K(o=-4.2,f=-11!) USER MOD Set 1.2: A 43 ASN : amide:sc= -2.38 X(o=-4.2,f=-4.3!) USER MOD Set 2.1: A 26 MET CE :methyl -132:sc= -0.539 (180deg=-4.83!) USER MOD Set 2.2: A 56 HIS : no HE2:sc= -0.0133 K(o=-0.55,f=-1.9) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.552 K(o=-0.9,f=0.027) USER MOD Set 3.2: A 13 ASN : amide:sc= -0.343 X(o=-0.9,f=-0.49) USER MOD Set 4.1: A 7 SER OG : rot -127:sc= 0.785 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.169 (180deg=-0.799) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0591) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00653) USER MOD Single : A 5 SER OG : rot 180:sc= -0.038 USER MOD Single : A 14 THR OG1 : rot -160:sc= -0.117 USER MOD Single : A 15 MET CE :methyl -176:sc= -0.905 (180deg=-1.06) USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= 0.13 (180deg=-2.01!) USER MOD Single : A 20 SER OG : rot 170:sc= -0.456 USER MOD Single : A 22 SER OG : rot 170:sc= 0.25 USER MOD Single : A 27 THR OG1 : rot -108:sc= 0.076 USER MOD Single : A 28 SER OG : rot 47:sc= 0.0911 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.0111 (180deg=-0.112) USER MOD Single : A 37 SER OG : rot -34:sc= 0.351 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 0.693 (180deg=0.00128) USER MOD Single : A 53 SER OG : rot 120:sc= -0.444 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 63:sc= 0.0333 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0.363 (180deg=0.325) USER MOD Single : A 67 ASN : amide:sc=-0.00464 X(o=-0.0046,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.0256 K(o=-0.026,f=-6.1!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.637 2.857 -5.847 1.00 0.00 N ATOM 2 CA MET A 1 11.908 2.611 -4.582 1.00 0.00 C ATOM 3 C MET A 1 11.350 1.182 -4.577 1.00 0.00 C ATOM 4 O MET A 1 10.626 0.792 -5.497 1.00 0.00 O ATOM 5 CB MET A 1 10.743 3.624 -4.395 1.00 0.00 C ATOM 6 CG MET A 1 11.155 5.104 -4.396 1.00 0.00 C ATOM 7 SD MET A 1 9.737 6.212 -4.217 1.00 0.00 S ATOM 8 CE MET A 1 8.717 5.764 -5.625 1.00 0.00 C ATOM 0 H1 MET A 1 13.114 3.780 -5.799 1.00 0.00 H new ATOM 0 H2 MET A 1 13.345 2.109 -5.991 1.00 0.00 H new ATOM 0 H3 MET A 1 11.965 2.855 -6.641 1.00 0.00 H new ATOM 0 HA MET A 1 12.609 2.740 -3.757 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.015 3.466 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.240 3.404 -3.453 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.858 5.283 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.677 5.333 -5.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.020 6.573 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.352 5.590 -6.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.159 4.856 -5.396 1.00 0.00 H new ATOM 20 N LYS A 2 11.727 0.404 -3.552 1.00 0.00 N ATOM 21 CA LYS A 2 11.162 -0.934 -3.291 1.00 0.00 C ATOM 22 C LYS A 2 10.687 -0.996 -1.826 1.00 0.00 C ATOM 23 O LYS A 2 10.688 0.027 -1.125 1.00 0.00 O ATOM 24 CB LYS A 2 12.220 -2.049 -3.593 1.00 0.00 C ATOM 25 CG LYS A 2 12.736 -2.073 -5.057 1.00 0.00 C ATOM 26 CD LYS A 2 13.636 -3.295 -5.386 1.00 0.00 C ATOM 27 CE LYS A 2 14.837 -3.437 -4.434 1.00 0.00 C ATOM 28 NZ LYS A 2 15.701 -2.225 -4.418 1.00 0.00 N ATOM 0 H LYS A 2 12.437 0.684 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 2 10.311 -1.109 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.070 -1.915 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.782 -3.020 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.881 -2.071 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.297 -1.158 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.035 -4.203 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.000 -3.205 -6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.475 -3.634 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.433 -4.300 -4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.521 -2.392 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.030 -2.020 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.156 -1.415 -4.058 1.00 0.00 H new ATOM 42 N ILE A 3 10.243 -2.180 -1.384 1.00 0.00 N ATOM 43 CA ILE A 3 9.973 -2.440 0.040 1.00 0.00 C ATOM 44 C ILE A 3 11.327 -2.633 0.752 1.00 0.00 C ATOM 45 O ILE A 3 12.011 -3.641 0.532 1.00 0.00 O ATOM 46 CB ILE A 3 9.060 -3.714 0.259 1.00 0.00 C ATOM 47 CG1 ILE A 3 7.721 -3.577 -0.542 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.797 -3.958 1.777 1.00 0.00 C ATOM 49 CD1 ILE A 3 6.792 -4.787 -0.483 1.00 0.00 C ATOM 0 H ILE A 3 10.062 -2.977 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 3 9.427 -1.592 0.453 1.00 0.00 H new ATOM 0 HB ILE A 3 9.589 -4.586 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.181 -2.708 -0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.962 -3.376 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.167 -4.839 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.746 -4.116 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.294 -3.090 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.896 -4.587 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.304 -5.659 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.512 -4.980 0.552 1.00 0.00 H new ATOM 61 N ILE A 4 11.721 -1.641 1.565 1.00 0.00 N ATOM 62 CA ILE A 4 12.981 -1.669 2.329 1.00 0.00 C ATOM 63 C ILE A 4 12.748 -2.493 3.609 1.00 0.00 C ATOM 64 O ILE A 4 13.487 -3.449 3.886 1.00 0.00 O ATOM 65 CB ILE A 4 13.495 -0.190 2.645 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.322 0.407 1.456 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.319 -0.086 3.955 1.00 0.00 C ATOM 68 CD1 ILE A 4 13.649 0.408 0.097 1.00 0.00 C ATOM 0 H ILE A 4 11.174 -0.793 1.713 1.00 0.00 H new ATOM 0 HA ILE A 4 13.769 -2.141 1.741 1.00 0.00 H new ATOM 0 HB ILE A 4 12.588 0.398 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.587 1.434 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 4 15.254 -0.152 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.635 0.946 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.705 -0.404 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.197 -0.727 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.321 0.845 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 4 13.410 -0.616 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.732 0.995 0.146 1.00 0.00 H new ATOM 80 N SER A 5 11.682 -2.143 4.341 1.00 0.00 N ATOM 81 CA SER A 5 11.271 -2.857 5.559 1.00 0.00 C ATOM 82 C SER A 5 9.819 -2.510 5.924 1.00 0.00 C ATOM 83 O SER A 5 9.343 -1.400 5.650 1.00 0.00 O ATOM 84 CB SER A 5 12.218 -2.511 6.740 1.00 0.00 C ATOM 85 OG SER A 5 12.254 -1.116 6.990 1.00 0.00 O ATOM 0 H SER A 5 11.079 -1.355 4.105 1.00 0.00 H new ATOM 0 HA SER A 5 11.335 -3.928 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.887 -3.033 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.224 -2.867 6.517 1.00 0.00 H new ATOM 0 HG SER A 5 12.858 -0.934 7.740 1.00 0.00 H new ATOM 91 N ILE A 6 9.111 -3.485 6.520 1.00 0.00 N ATOM 92 CA ILE A 6 7.812 -3.252 7.155 1.00 0.00 C ATOM 93 C ILE A 6 8.095 -2.886 8.620 1.00 0.00 C ATOM 94 O ILE A 6 8.357 -3.766 9.452 1.00 0.00 O ATOM 95 CB ILE A 6 6.870 -4.515 7.083 1.00 0.00 C ATOM 96 CG1 ILE A 6 6.757 -5.061 5.618 1.00 0.00 C ATOM 97 CG2 ILE A 6 5.468 -4.181 7.664 1.00 0.00 C ATOM 98 CD1 ILE A 6 5.984 -6.373 5.476 1.00 0.00 C ATOM 0 H ILE A 6 9.427 -4.454 6.572 1.00 0.00 H new ATOM 0 HA ILE A 6 7.288 -2.454 6.630 1.00 0.00 H new ATOM 0 HB ILE A 6 7.315 -5.303 7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.275 -4.304 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.762 -5.204 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.831 -5.063 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.569 -3.874 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.019 -3.371 7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.960 -6.670 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.475 -7.150 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.965 -6.236 5.838 1.00 0.00 H new ATOM 110 N SER A 7 8.113 -1.582 8.902 1.00 0.00 N ATOM 111 CA SER A 7 8.481 -1.041 10.218 1.00 0.00 C ATOM 112 C SER A 7 7.281 -1.045 11.197 1.00 0.00 C ATOM 113 O SER A 7 6.254 -1.688 10.925 1.00 0.00 O ATOM 114 CB SER A 7 9.077 0.369 10.011 1.00 0.00 C ATOM 115 OG SER A 7 8.280 1.133 9.126 1.00 0.00 O ATOM 0 H SER A 7 7.871 -0.863 8.220 1.00 0.00 H new ATOM 0 HA SER A 7 9.232 -1.678 10.685 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.152 0.880 10.971 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.089 0.285 9.614 1.00 0.00 H new ATOM 0 HG SER A 7 8.841 1.491 8.407 1.00 0.00 H new ATOM 178 N HIS A 12 -1.722 -0.715 15.224 1.00 0.00 N ATOM 179 CA HIS A 12 -2.315 -1.827 14.429 1.00 0.00 C ATOM 180 C HIS A 12 -3.298 -1.256 13.368 1.00 0.00 C ATOM 181 O HIS A 12 -3.641 -0.068 13.416 1.00 0.00 O ATOM 182 CB HIS A 12 -2.973 -2.917 15.347 1.00 0.00 C ATOM 183 CG HIS A 12 -3.248 -4.250 14.679 1.00 0.00 C ATOM 184 ND1 HIS A 12 -2.294 -5.234 14.560 1.00 0.00 N ATOM 185 CD2 HIS A 12 -4.368 -4.759 14.102 1.00 0.00 C ATOM 186 CE1 HIS A 12 -2.808 -6.277 13.947 1.00 0.00 C ATOM 187 NE2 HIS A 12 -4.065 -6.022 13.657 1.00 0.00 N ATOM 0 HA HIS A 12 -1.515 -2.340 13.895 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.322 -3.087 16.204 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.913 -2.523 15.734 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.322 -4.261 14.010 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.284 -7.193 13.719 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.707 -6.656 13.181 1.00 0.00 H new ATOM 196 N ASN A 13 -3.682 -2.096 12.383 1.00 0.00 N ATOM 197 CA ASN A 13 -4.556 -1.728 11.228 1.00 0.00 C ATOM 198 C ASN A 13 -3.769 -0.946 10.159 1.00 0.00 C ATOM 199 O ASN A 13 -3.806 -1.293 8.990 1.00 0.00 O ATOM 200 CB ASN A 13 -5.874 -0.972 11.628 1.00 0.00 C ATOM 201 CG ASN A 13 -6.936 -1.864 12.289 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.621 -2.875 12.916 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.205 -1.489 12.155 1.00 0.00 N ATOM 0 H ASN A 13 -3.391 -3.073 12.360 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.884 -2.676 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.621 -0.161 12.311 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.303 -0.516 10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.948 -2.045 12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.435 -0.646 11.629 1.00 0.00 H new ATOM 210 N THR A 14 -3.061 0.110 10.566 1.00 0.00 N ATOM 211 CA THR A 14 -2.208 0.895 9.662 1.00 0.00 C ATOM 212 C THR A 14 -0.722 0.587 9.915 1.00 0.00 C ATOM 213 O THR A 14 -0.181 0.896 10.986 1.00 0.00 O ATOM 214 CB THR A 14 -2.514 2.428 9.770 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.540 3.200 9.048 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.615 2.917 11.228 1.00 0.00 C ATOM 0 H THR A 14 -3.061 0.447 11.529 1.00 0.00 H new ATOM 0 HA THR A 14 -2.438 0.600 8.638 1.00 0.00 H new ATOM 0 HB THR A 14 -3.493 2.578 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.548 4.124 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.828 3.986 11.239 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.417 2.382 11.737 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.672 2.730 11.741 1.00 0.00 H new ATOM 224 N MET A 15 -0.073 -0.066 8.927 1.00 0.00 N ATOM 225 CA MET A 15 1.367 -0.387 8.993 1.00 0.00 C ATOM 226 C MET A 15 2.171 0.642 8.195 1.00 0.00 C ATOM 227 O MET A 15 1.739 1.110 7.136 1.00 0.00 O ATOM 228 CB MET A 15 1.681 -1.813 8.469 1.00 0.00 C ATOM 229 CG MET A 15 1.014 -2.953 9.246 1.00 0.00 C ATOM 230 SD MET A 15 1.735 -4.575 8.875 1.00 0.00 S ATOM 231 CE MET A 15 1.697 -4.605 7.080 1.00 0.00 C ATOM 0 H MET A 15 -0.528 -0.382 8.070 1.00 0.00 H new ATOM 0 HA MET A 15 1.655 -0.353 10.044 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.372 -1.876 7.426 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.761 -1.962 8.491 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.102 -2.758 10.315 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.050 -2.972 9.012 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.045 -5.575 6.725 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.677 -4.437 6.735 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.346 -3.821 6.689 1.00 0.00 H new ATOM 241 N LYS A 16 3.347 0.971 8.734 1.00 0.00 N ATOM 242 CA LYS A 16 4.309 1.882 8.109 1.00 0.00 C ATOM 243 C LYS A 16 5.255 1.069 7.211 1.00 0.00 C ATOM 244 O LYS A 16 6.007 0.214 7.697 1.00 0.00 O ATOM 245 CB LYS A 16 5.094 2.637 9.221 1.00 0.00 C ATOM 246 CG LYS A 16 6.270 3.516 8.732 1.00 0.00 C ATOM 247 CD LYS A 16 7.100 4.115 9.904 1.00 0.00 C ATOM 248 CE LYS A 16 8.497 4.590 9.468 1.00 0.00 C ATOM 249 NZ LYS A 16 8.436 5.702 8.493 1.00 0.00 N ATOM 0 H LYS A 16 3.663 0.606 9.632 1.00 0.00 H new ATOM 0 HA LYS A 16 3.796 2.620 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.395 3.269 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.482 1.904 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.924 2.919 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.881 4.327 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.555 4.954 10.336 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.205 3.365 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.059 4.910 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.041 3.754 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.017 5.468 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.450 5.849 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.798 6.571 8.935 1.00 0.00 H new ATOM 263 N ILE A 17 5.165 1.305 5.896 1.00 0.00 N ATOM 264 CA ILE A 17 6.083 0.726 4.907 1.00 0.00 C ATOM 265 C ILE A 17 7.226 1.717 4.661 1.00 0.00 C ATOM 266 O ILE A 17 7.012 2.809 4.122 1.00 0.00 O ATOM 267 CB ILE A 17 5.354 0.402 3.548 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.179 -0.598 3.791 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.353 -0.143 2.483 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.357 -0.935 2.554 1.00 0.00 C ATOM 0 H ILE A 17 4.450 1.906 5.486 1.00 0.00 H new ATOM 0 HA ILE A 17 6.468 -0.215 5.300 1.00 0.00 H new ATOM 0 HB ILE A 17 4.939 1.329 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.587 -1.522 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.515 -0.179 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.818 -0.356 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.124 0.603 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.816 -1.057 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.566 -1.635 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.914 -0.024 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.002 -1.388 1.801 1.00 0.00 H new ATOM 282 N THR A 18 8.422 1.337 5.105 1.00 0.00 N ATOM 283 CA THR A 18 9.649 2.105 4.885 1.00 0.00 C ATOM 284 C THR A 18 10.135 1.910 3.436 1.00 0.00 C ATOM 285 O THR A 18 10.326 0.772 2.981 1.00 0.00 O ATOM 286 CB THR A 18 10.749 1.665 5.905 1.00 0.00 C ATOM 287 OG1 THR A 18 10.267 1.898 7.234 1.00 0.00 O ATOM 288 CG2 THR A 18 12.090 2.397 5.722 1.00 0.00 C ATOM 0 H THR A 18 8.570 0.477 5.634 1.00 0.00 H new ATOM 0 HA THR A 18 9.443 3.164 5.041 1.00 0.00 H new ATOM 0 HB THR A 18 10.943 0.607 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.949 1.624 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.804 2.040 6.464 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.478 2.201 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.940 3.469 5.850 1.00 0.00 H new ATOM 296 N LEU A 19 10.278 3.030 2.707 1.00 0.00 N ATOM 297 CA LEU A 19 10.798 3.042 1.332 1.00 0.00 C ATOM 298 C LEU A 19 12.269 3.503 1.336 1.00 0.00 C ATOM 299 O LEU A 19 12.900 3.606 2.388 1.00 0.00 O ATOM 300 CB LEU A 19 9.921 3.969 0.443 1.00 0.00 C ATOM 301 CG LEU A 19 8.411 3.578 0.312 1.00 0.00 C ATOM 302 CD1 LEU A 19 7.661 4.564 -0.614 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.234 2.117 -0.177 1.00 0.00 C ATOM 0 H LEU A 19 10.034 3.956 3.058 1.00 0.00 H new ATOM 0 HA LEU A 19 10.756 2.035 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.979 4.981 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.355 3.996 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 19 7.973 3.644 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.614 4.269 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.726 5.571 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.113 4.547 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.172 1.885 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.703 2.001 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.703 1.436 0.534 1.00 0.00 H new ATOM 315 N SER A 20 12.825 3.737 0.138 1.00 0.00 N ATOM 316 CA SER A 20 14.197 4.251 -0.042 1.00 0.00 C ATOM 317 C SER A 20 14.325 5.774 0.238 1.00 0.00 C ATOM 318 O SER A 20 15.400 6.342 0.004 1.00 0.00 O ATOM 319 CB SER A 20 14.655 3.920 -1.475 1.00 0.00 C ATOM 320 OG SER A 20 13.764 4.467 -2.434 1.00 0.00 O ATOM 0 H SER A 20 12.334 3.575 -0.741 1.00 0.00 H new ATOM 0 HA SER A 20 14.839 3.764 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.658 4.313 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.712 2.839 -1.602 1.00 0.00 H new ATOM 0 HG SER A 20 14.156 4.385 -3.329 1.00 0.00 H new ATOM 326 N GLU A 21 13.235 6.415 0.740 1.00 0.00 N ATOM 327 CA GLU A 21 13.171 7.877 1.016 1.00 0.00 C ATOM 328 C GLU A 21 13.312 8.721 -0.275 1.00 0.00 C ATOM 329 O GLU A 21 13.265 8.197 -1.395 1.00 0.00 O ATOM 330 CB GLU A 21 14.239 8.319 2.073 1.00 0.00 C ATOM 331 CG GLU A 21 13.989 7.811 3.498 1.00 0.00 C ATOM 332 CD GLU A 21 15.087 8.224 4.490 1.00 0.00 C ATOM 333 OE1 GLU A 21 15.257 9.441 4.729 1.00 0.00 O ATOM 334 OE2 GLU A 21 15.806 7.340 5.013 1.00 0.00 O ATOM 0 H GLU A 21 12.368 5.927 0.966 1.00 0.00 H new ATOM 0 HA GLU A 21 12.182 8.064 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.218 7.970 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.279 9.408 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.030 8.191 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.914 6.724 3.481 1.00 0.00 H new ATOM 341 N SER A 22 13.446 10.042 -0.073 1.00 0.00 N ATOM 342 CA SER A 22 13.720 11.019 -1.133 1.00 0.00 C ATOM 343 C SER A 22 14.495 12.201 -0.503 1.00 0.00 C ATOM 344 O SER A 22 15.063 12.054 0.593 1.00 0.00 O ATOM 345 CB SER A 22 12.386 11.469 -1.780 1.00 0.00 C ATOM 346 OG SER A 22 12.597 12.274 -2.927 1.00 0.00 O ATOM 0 H SER A 22 13.365 10.466 0.851 1.00 0.00 H new ATOM 0 HA SER A 22 14.329 10.586 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.803 10.591 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.798 12.025 -1.050 1.00 0.00 H new ATOM 0 HG SER A 22 11.747 12.403 -3.397 1.00 0.00 H new ATOM 352 N ARG A 23 14.539 13.352 -1.196 1.00 0.00 N ATOM 353 CA ARG A 23 15.208 14.566 -0.702 1.00 0.00 C ATOM 354 C ARG A 23 14.410 15.150 0.487 1.00 0.00 C ATOM 355 O ARG A 23 13.490 15.958 0.289 1.00 0.00 O ATOM 356 CB ARG A 23 15.342 15.598 -1.858 1.00 0.00 C ATOM 357 CG ARG A 23 15.986 15.034 -3.143 1.00 0.00 C ATOM 358 CD ARG A 23 17.444 14.580 -2.961 1.00 0.00 C ATOM 359 NE ARG A 23 17.951 13.903 -4.172 1.00 0.00 N ATOM 360 CZ ARG A 23 18.459 14.514 -5.256 1.00 0.00 C ATOM 361 NH1 ARG A 23 18.548 15.840 -5.329 1.00 0.00 N ATOM 362 NH2 ARG A 23 18.873 13.793 -6.280 1.00 0.00 N ATOM 0 H ARG A 23 14.111 13.466 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 23 16.210 14.321 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.352 15.984 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.936 16.442 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.394 14.189 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.947 15.796 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.070 15.443 -2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.513 13.904 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 23 17.912 12.884 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.227 16.416 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.937 16.280 -6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.807 12.776 -6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.259 14.253 -7.105 1.00 0.00 H new ATOM 376 N GLU A 24 14.765 14.682 1.707 1.00 0.00 N ATOM 377 CA GLU A 24 14.052 14.960 2.974 1.00 0.00 C ATOM 378 C GLU A 24 12.640 14.332 2.949 1.00 0.00 C ATOM 379 O GLU A 24 12.399 13.297 3.576 1.00 0.00 O ATOM 380 CB GLU A 24 14.013 16.483 3.314 1.00 0.00 C ATOM 381 CG GLU A 24 15.396 17.133 3.512 1.00 0.00 C ATOM 382 CD GLU A 24 15.310 18.633 3.850 1.00 0.00 C ATOM 383 OE1 GLU A 24 15.185 18.981 5.049 1.00 0.00 O ATOM 384 OE2 GLU A 24 15.354 19.471 2.918 1.00 0.00 O ATOM 0 H GLU A 24 15.580 14.083 1.839 1.00 0.00 H new ATOM 0 HA GLU A 24 14.615 14.490 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.491 17.007 2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.427 16.624 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.924 16.615 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.986 17.003 2.605 1.00 0.00 H new ATOM 391 N GLY A 25 11.738 14.953 2.181 1.00 0.00 N ATOM 392 CA GLY A 25 10.369 14.466 2.005 1.00 0.00 C ATOM 393 C GLY A 25 9.820 14.789 0.617 1.00 0.00 C ATOM 394 O GLY A 25 10.177 15.817 0.030 1.00 0.00 O ATOM 0 H GLY A 25 11.939 15.809 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.345 13.388 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.725 14.913 2.762 1.00 0.00 H new ATOM 398 N MET A 26 8.939 13.910 0.110 1.00 0.00 N ATOM 399 CA MET A 26 8.293 14.049 -1.211 1.00 0.00 C ATOM 400 C MET A 26 6.775 13.825 -1.066 1.00 0.00 C ATOM 401 O MET A 26 6.348 12.813 -0.490 1.00 0.00 O ATOM 402 CB MET A 26 8.887 13.032 -2.239 1.00 0.00 C ATOM 403 CG MET A 26 8.749 11.554 -1.840 1.00 0.00 C ATOM 404 SD MET A 26 9.402 10.413 -3.081 1.00 0.00 S ATOM 405 CE MET A 26 9.266 8.841 -2.224 1.00 0.00 C ATOM 0 H MET A 26 8.650 13.070 0.612 1.00 0.00 H new ATOM 0 HA MET A 26 8.482 15.055 -1.585 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.396 13.181 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.944 13.258 -2.382 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.269 11.390 -0.896 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.697 11.328 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.205 8.295 -2.314 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.049 9.018 -1.171 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.461 8.254 -2.666 1.00 0.00 H new ATOM 415 N THR A 27 5.990 14.798 -1.580 1.00 0.00 N ATOM 416 CA THR A 27 4.498 14.779 -1.683 1.00 0.00 C ATOM 417 C THR A 27 3.742 14.325 -0.389 1.00 0.00 C ATOM 418 O THR A 27 4.343 14.011 0.648 1.00 0.00 O ATOM 419 CB THR A 27 3.997 14.017 -2.990 1.00 0.00 C ATOM 420 OG1 THR A 27 2.570 14.120 -3.148 1.00 0.00 O ATOM 421 CG2 THR A 27 4.396 12.535 -3.040 1.00 0.00 C ATOM 0 H THR A 27 6.388 15.660 -1.953 1.00 0.00 H new ATOM 0 HA THR A 27 4.220 15.828 -1.787 1.00 0.00 H new ATOM 0 HB THR A 27 4.504 14.521 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.156 13.254 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.018 12.087 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.482 12.450 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.971 12.015 -2.182 1.00 0.00 H new ATOM 429 N SER A 28 2.398 14.366 -0.444 1.00 0.00 N ATOM 430 CA SER A 28 1.525 14.002 0.683 1.00 0.00 C ATOM 431 C SER A 28 0.148 13.573 0.147 1.00 0.00 C ATOM 432 O SER A 28 -0.702 14.411 -0.185 1.00 0.00 O ATOM 433 CB SER A 28 1.428 15.186 1.678 1.00 0.00 C ATOM 434 OG SER A 28 1.139 16.409 1.013 1.00 0.00 O ATOM 0 H SER A 28 1.886 14.655 -1.278 1.00 0.00 H new ATOM 0 HA SER A 28 1.945 13.157 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.651 14.980 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.367 15.281 2.223 1.00 0.00 H new ATOM 0 HG SER A 28 0.407 16.270 0.377 1.00 0.00 H new ATOM 440 N ASP A 29 -0.042 12.249 0.040 1.00 0.00 N ATOM 441 CA ASP A 29 -1.214 11.633 -0.601 1.00 0.00 C ATOM 442 C ASP A 29 -2.028 10.821 0.414 1.00 0.00 C ATOM 443 O ASP A 29 -1.560 10.514 1.513 1.00 0.00 O ATOM 444 CB ASP A 29 -0.756 10.680 -1.738 1.00 0.00 C ATOM 445 CG ASP A 29 0.255 11.318 -2.704 1.00 0.00 C ATOM 446 OD1 ASP A 29 1.473 11.257 -2.414 1.00 0.00 O ATOM 447 OD2 ASP A 29 -0.157 11.874 -3.751 1.00 0.00 O ATOM 0 H ASP A 29 0.624 11.566 0.402 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.834 12.434 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.311 9.788 -1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.630 10.354 -2.302 1.00 0.00 H new ATOM 452 N THR A 30 -3.265 10.500 0.024 1.00 0.00 N ATOM 453 CA THR A 30 -4.065 9.436 0.629 1.00 0.00 C ATOM 454 C THR A 30 -4.815 8.754 -0.522 1.00 0.00 C ATOM 455 O THR A 30 -5.822 9.271 -1.019 1.00 0.00 O ATOM 456 CB THR A 30 -5.083 9.953 1.711 1.00 0.00 C ATOM 457 OG1 THR A 30 -4.428 10.843 2.624 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.702 8.785 2.510 1.00 0.00 C ATOM 0 H THR A 30 -3.746 10.983 -0.735 1.00 0.00 H new ATOM 0 HA THR A 30 -3.406 8.751 1.162 1.00 0.00 H new ATOM 0 HB THR A 30 -5.879 10.478 1.183 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.072 11.159 3.292 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.400 9.179 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.232 8.119 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.911 8.232 3.017 1.00 0.00 H new ATOM 466 N TYR A 31 -4.268 7.631 -0.990 1.00 0.00 N ATOM 467 CA TYR A 31 -4.850 6.854 -2.083 1.00 0.00 C ATOM 468 C TYR A 31 -5.954 5.962 -1.493 1.00 0.00 C ATOM 469 O TYR A 31 -5.662 5.070 -0.702 1.00 0.00 O ATOM 470 CB TYR A 31 -3.760 5.978 -2.767 1.00 0.00 C ATOM 471 CG TYR A 31 -2.485 6.721 -3.217 1.00 0.00 C ATOM 472 CD1 TYR A 31 -2.536 7.727 -4.178 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.223 6.384 -2.707 1.00 0.00 C ATOM 474 CE1 TYR A 31 -1.387 8.370 -4.610 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.076 7.027 -3.130 1.00 0.00 C ATOM 476 CZ TYR A 31 -0.162 8.014 -4.086 1.00 0.00 C ATOM 477 OH TYR A 31 0.986 8.649 -4.519 1.00 0.00 O ATOM 0 H TYR A 31 -3.405 7.234 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.265 7.521 -2.838 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.471 5.186 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.203 5.495 -3.638 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.490 8.012 -4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.146 5.603 -1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.451 9.149 -5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.883 6.757 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 31 1.762 8.279 -4.048 1.00 0.00 H new ATOM 487 N THR A 32 -7.223 6.237 -1.835 1.00 0.00 N ATOM 488 CA THR A 32 -8.377 5.454 -1.348 1.00 0.00 C ATOM 489 C THR A 32 -9.170 4.887 -2.535 1.00 0.00 C ATOM 490 O THR A 32 -9.108 3.681 -2.821 1.00 0.00 O ATOM 491 CB THR A 32 -9.295 6.326 -0.418 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.626 7.565 -1.078 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.618 6.634 0.926 1.00 0.00 C ATOM 0 H THR A 32 -7.481 7.005 -2.455 1.00 0.00 H new ATOM 0 HA THR A 32 -8.005 4.620 -0.753 1.00 0.00 H new ATOM 0 HB THR A 32 -10.200 5.752 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.200 8.104 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.286 7.239 1.540 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.395 5.701 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.692 7.181 0.750 1.00 0.00 H new ATOM 501 N LYS A 33 -9.875 5.768 -3.260 1.00 0.00 N ATOM 502 CA LYS A 33 -10.683 5.398 -4.437 1.00 0.00 C ATOM 503 C LYS A 33 -10.003 5.954 -5.709 1.00 0.00 C ATOM 504 O LYS A 33 -10.660 6.532 -6.581 1.00 0.00 O ATOM 505 CB LYS A 33 -12.150 5.915 -4.275 1.00 0.00 C ATOM 506 CG LYS A 33 -12.288 7.427 -3.981 1.00 0.00 C ATOM 507 CD LYS A 33 -13.749 7.926 -4.056 1.00 0.00 C ATOM 508 CE LYS A 33 -13.879 9.435 -3.763 1.00 0.00 C ATOM 509 NZ LYS A 33 -13.044 10.272 -4.672 1.00 0.00 N ATOM 0 H LYS A 33 -9.902 6.765 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.740 4.313 -4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.701 5.687 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.627 5.359 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.889 7.636 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.682 7.987 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.149 7.717 -5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.356 7.368 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.923 9.731 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.588 9.627 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.270 11.276 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.038 10.109 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.242 10.015 -5.660 1.00 0.00 H new ATOM 523 N VAL A 34 -8.676 5.729 -5.794 1.00 0.00 N ATOM 524 CA VAL A 34 -7.795 6.223 -6.878 1.00 0.00 C ATOM 525 C VAL A 34 -7.652 7.764 -6.842 1.00 0.00 C ATOM 526 O VAL A 34 -8.644 8.505 -6.902 1.00 0.00 O ATOM 527 CB VAL A 34 -8.224 5.711 -8.314 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.395 6.359 -9.459 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.121 4.169 -8.397 1.00 0.00 C ATOM 0 H VAL A 34 -8.172 5.185 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.812 5.792 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.261 6.016 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.734 5.970 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.529 7.441 -9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.340 6.122 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.420 3.837 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.093 3.862 -8.206 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.778 3.720 -7.652 1.00 0.00 H new ATOM 539 N ASP A 35 -6.393 8.207 -6.684 1.00 0.00 N ATOM 540 CA ASP A 35 -5.967 9.605 -6.843 1.00 0.00 C ATOM 541 C ASP A 35 -6.287 10.109 -8.278 1.00 0.00 C ATOM 542 O ASP A 35 -7.338 10.727 -8.481 1.00 0.00 O ATOM 543 CB ASP A 35 -4.449 9.699 -6.497 1.00 0.00 C ATOM 544 CG ASP A 35 -3.765 11.012 -6.923 1.00 0.00 C ATOM 545 OD1 ASP A 35 -3.943 12.037 -6.239 1.00 0.00 O ATOM 546 OD2 ASP A 35 -3.043 11.014 -7.948 1.00 0.00 O ATOM 0 H ASP A 35 -5.624 7.585 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.515 10.255 -6.162 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.329 9.577 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.931 8.866 -6.972 1.00 0.00 H new ATOM 551 N ASP A 36 -5.403 9.772 -9.246 1.00 0.00 N ATOM 552 CA ASP A 36 -5.501 10.170 -10.676 1.00 0.00 C ATOM 553 C ASP A 36 -4.149 9.892 -11.357 1.00 0.00 C ATOM 554 O ASP A 36 -4.026 8.994 -12.190 1.00 0.00 O ATOM 555 CB ASP A 36 -5.878 11.681 -10.868 1.00 0.00 C ATOM 556 CG ASP A 36 -5.880 12.152 -12.336 1.00 0.00 C ATOM 557 OD1 ASP A 36 -6.845 11.857 -13.071 1.00 0.00 O ATOM 558 OD2 ASP A 36 -4.918 12.837 -12.761 1.00 0.00 O ATOM 0 H ASP A 36 -4.580 9.201 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.302 9.584 -11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.866 11.854 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.175 12.293 -10.303 1.00 0.00 H new ATOM 563 N SER A 37 -3.127 10.658 -10.935 1.00 0.00 N ATOM 564 CA SER A 37 -1.809 10.714 -11.593 1.00 0.00 C ATOM 565 C SER A 37 -0.825 9.676 -10.999 1.00 0.00 C ATOM 566 O SER A 37 0.317 9.559 -11.460 1.00 0.00 O ATOM 567 CB SER A 37 -1.252 12.156 -11.471 1.00 0.00 C ATOM 568 OG SER A 37 -0.027 12.323 -12.174 1.00 0.00 O ATOM 0 H SER A 37 -3.194 11.263 -10.117 1.00 0.00 H new ATOM 0 HA SER A 37 -1.925 10.457 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.988 12.861 -11.856 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.100 12.397 -10.419 1.00 0.00 H new ATOM 0 HG SER A 37 0.488 11.490 -12.137 1.00 0.00 H new ATOM 574 N GLN A 38 -1.281 8.934 -9.970 1.00 0.00 N ATOM 575 CA GLN A 38 -0.528 7.813 -9.371 1.00 0.00 C ATOM 576 C GLN A 38 -0.303 6.666 -10.405 1.00 0.00 C ATOM 577 O GLN A 38 -1.123 6.493 -11.315 1.00 0.00 O ATOM 578 CB GLN A 38 -1.291 7.266 -8.135 1.00 0.00 C ATOM 579 CG GLN A 38 -2.708 6.746 -8.441 1.00 0.00 C ATOM 580 CD GLN A 38 -3.406 6.053 -7.266 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.619 6.091 -7.159 1.00 0.00 O ATOM 582 NE2 GLN A 38 -2.663 5.381 -6.406 1.00 0.00 N ATOM 0 H GLN A 38 -2.186 9.096 -9.529 1.00 0.00 H new ATOM 0 HA GLN A 38 0.448 8.187 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.709 6.458 -7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.361 8.056 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.324 7.583 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.651 6.047 -9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.649 5.362 -6.514 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.103 4.881 -5.634 1.00 0.00 H new ATOM 591 N PRO A 39 0.829 5.891 -10.285 1.00 0.00 N ATOM 592 CA PRO A 39 1.098 4.688 -11.126 1.00 0.00 C ATOM 593 C PRO A 39 -0.048 3.649 -11.111 1.00 0.00 C ATOM 594 O PRO A 39 -0.731 3.481 -10.085 1.00 0.00 O ATOM 595 CB PRO A 39 2.381 4.088 -10.489 1.00 0.00 C ATOM 596 CG PRO A 39 3.065 5.252 -9.841 1.00 0.00 C ATOM 597 CD PRO A 39 1.960 6.166 -9.356 1.00 0.00 C ATOM 0 HA PRO A 39 1.199 4.957 -12.177 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.137 3.316 -9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.017 3.624 -11.243 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.693 4.924 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.715 5.767 -10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.689 5.950 -8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.262 7.213 -9.394 1.00 0.00 H new ATOM 605 N ALA A 40 -0.213 2.940 -12.250 1.00 0.00 N ATOM 606 CA ALA A 40 -1.217 1.867 -12.419 1.00 0.00 C ATOM 607 C ALA A 40 -1.049 0.771 -11.356 1.00 0.00 C ATOM 608 O ALA A 40 -2.035 0.248 -10.837 1.00 0.00 O ATOM 609 CB ALA A 40 -1.131 1.269 -13.834 1.00 0.00 C ATOM 0 H ALA A 40 0.352 3.098 -13.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.205 2.308 -12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.876 0.481 -13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.319 2.050 -14.571 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.137 0.852 -13.993 1.00 0.00 H new ATOM 615 N PHE A 41 0.209 0.472 -11.006 1.00 0.00 N ATOM 616 CA PHE A 41 0.532 -0.536 -9.984 1.00 0.00 C ATOM 617 C PHE A 41 -0.042 -0.163 -8.605 1.00 0.00 C ATOM 618 O PHE A 41 -0.506 -1.034 -7.876 1.00 0.00 O ATOM 619 CB PHE A 41 2.053 -0.735 -9.893 1.00 0.00 C ATOM 620 CG PHE A 41 2.688 -1.310 -11.153 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.187 -2.474 -11.729 1.00 0.00 C ATOM 622 CD2 PHE A 41 3.780 -0.697 -11.758 1.00 0.00 C ATOM 623 CE1 PHE A 41 2.758 -3.007 -12.863 1.00 0.00 C ATOM 624 CE2 PHE A 41 4.351 -1.232 -12.894 1.00 0.00 C ATOM 625 CZ PHE A 41 3.839 -2.383 -13.448 1.00 0.00 C ATOM 0 H PHE A 41 1.028 0.918 -11.420 1.00 0.00 H new ATOM 0 HA PHE A 41 0.065 -1.473 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.520 0.224 -9.670 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.271 -1.398 -9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.337 -2.967 -11.280 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.186 0.209 -11.333 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.359 -3.913 -13.294 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.201 -0.747 -13.350 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.284 -2.797 -14.341 1.00 0.00 H new ATOM 635 N ILE A 42 -0.038 1.142 -8.274 1.00 0.00 N ATOM 636 CA ILE A 42 -0.578 1.627 -6.986 1.00 0.00 C ATOM 637 C ILE A 42 -2.126 1.613 -7.034 1.00 0.00 C ATOM 638 O ILE A 42 -2.787 1.461 -6.000 1.00 0.00 O ATOM 639 CB ILE A 42 -0.027 3.060 -6.615 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.529 3.130 -6.793 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.420 3.458 -5.164 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.331 2.166 -5.920 1.00 0.00 C ATOM 0 H ILE A 42 0.331 1.878 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.241 0.954 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.486 3.772 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.768 2.932 -7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.857 4.147 -6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.026 4.449 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.506 3.470 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.004 2.735 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.395 2.294 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.131 2.375 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.040 1.141 -6.148 1.00 0.00 H new ATOM 654 N ASN A 43 -2.691 1.712 -8.265 1.00 0.00 N ATOM 655 CA ASN A 43 -4.140 1.568 -8.499 1.00 0.00 C ATOM 656 C ASN A 43 -4.547 0.111 -8.255 1.00 0.00 C ATOM 657 O ASN A 43 -5.613 -0.157 -7.711 1.00 0.00 O ATOM 658 CB ASN A 43 -4.511 1.967 -9.952 1.00 0.00 C ATOM 659 CG ASN A 43 -4.287 3.442 -10.293 1.00 0.00 C ATOM 660 OD1 ASN A 43 -3.825 3.782 -11.385 1.00 0.00 O ATOM 661 ND2 ASN A 43 -4.683 4.332 -9.409 1.00 0.00 N ATOM 0 H ASN A 43 -2.154 1.893 -9.113 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.670 2.229 -7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.927 1.357 -10.641 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.560 1.725 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.611 5.327 -9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.062 4.027 -8.512 1.00 0.00 H new ATOM 668 N ASP A 44 -3.655 -0.817 -8.654 1.00 0.00 N ATOM 669 CA ASP A 44 -3.863 -2.266 -8.500 1.00 0.00 C ATOM 670 C ASP A 44 -3.906 -2.645 -7.010 1.00 0.00 C ATOM 671 O ASP A 44 -4.720 -3.482 -6.600 1.00 0.00 O ATOM 672 CB ASP A 44 -2.744 -3.051 -9.236 1.00 0.00 C ATOM 673 CG ASP A 44 -2.915 -4.584 -9.172 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.625 -5.152 -10.034 1.00 0.00 O ATOM 675 OD2 ASP A 44 -2.345 -5.228 -8.266 1.00 0.00 O ATOM 0 H ASP A 44 -2.766 -0.579 -9.094 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.820 -2.533 -8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.722 -2.740 -10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.780 -2.784 -8.803 1.00 0.00 H new ATOM 680 N ILE A 45 -3.032 -1.999 -6.208 1.00 0.00 N ATOM 681 CA ILE A 45 -2.997 -2.204 -4.746 1.00 0.00 C ATOM 682 C ILE A 45 -4.300 -1.669 -4.104 1.00 0.00 C ATOM 683 O ILE A 45 -4.798 -2.239 -3.142 1.00 0.00 O ATOM 684 CB ILE A 45 -1.749 -1.534 -4.051 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.423 -1.877 -4.791 1.00 0.00 C ATOM 686 CG2 ILE A 45 -1.645 -1.973 -2.566 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.817 -1.168 -4.248 1.00 0.00 C ATOM 0 H ILE A 45 -2.341 -1.331 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.909 -3.279 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.898 -0.455 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.261 -2.954 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.536 -1.624 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.778 -1.499 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.547 -1.672 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.537 -3.056 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.691 -1.469 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.684 -0.089 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.962 -1.439 -3.202 1.00 0.00 H new ATOM 699 N LEU A 46 -4.849 -0.580 -4.664 1.00 0.00 N ATOM 700 CA LEU A 46 -6.160 -0.032 -4.240 1.00 0.00 C ATOM 701 C LEU A 46 -7.307 -1.014 -4.522 1.00 0.00 C ATOM 702 O LEU A 46 -8.271 -1.095 -3.751 1.00 0.00 O ATOM 703 CB LEU A 46 -6.425 1.330 -4.920 1.00 0.00 C ATOM 704 CG LEU A 46 -5.514 2.485 -4.422 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.717 3.768 -5.242 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.753 2.739 -2.921 1.00 0.00 C ATOM 0 H LEU A 46 -4.406 -0.054 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.120 0.119 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.292 1.217 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.466 1.608 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.477 2.181 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.061 4.551 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.480 3.573 -6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.754 4.092 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.109 3.551 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.796 3.012 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.523 1.835 -2.358 1.00 0.00 H new ATOM 718 N LYS A 47 -7.187 -1.743 -5.637 1.00 0.00 N ATOM 719 CA LYS A 47 -8.161 -2.773 -6.039 1.00 0.00 C ATOM 720 C LYS A 47 -8.048 -4.020 -5.136 1.00 0.00 C ATOM 721 O LYS A 47 -8.953 -4.861 -5.128 1.00 0.00 O ATOM 722 CB LYS A 47 -7.944 -3.117 -7.529 1.00 0.00 C ATOM 723 CG LYS A 47 -8.136 -1.901 -8.462 1.00 0.00 C ATOM 724 CD LYS A 47 -7.660 -2.158 -9.905 1.00 0.00 C ATOM 725 CE LYS A 47 -7.736 -0.890 -10.771 1.00 0.00 C ATOM 726 NZ LYS A 47 -7.296 -1.141 -12.165 1.00 0.00 N ATOM 0 H LYS A 47 -6.411 -1.638 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.174 -2.389 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.938 -3.515 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.639 -3.905 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.191 -1.627 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.592 -1.049 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.634 -2.525 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.271 -2.941 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.760 -0.515 -10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.114 -0.112 -10.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.363 -0.260 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.311 -1.474 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.905 -1.865 -12.596 1.00 0.00 H new ATOM 740 N VAL A 48 -6.927 -4.123 -4.379 1.00 0.00 N ATOM 741 CA VAL A 48 -6.787 -5.111 -3.295 1.00 0.00 C ATOM 742 C VAL A 48 -7.730 -4.703 -2.153 1.00 0.00 C ATOM 743 O VAL A 48 -7.424 -3.792 -1.371 1.00 0.00 O ATOM 744 CB VAL A 48 -5.302 -5.245 -2.767 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.171 -6.305 -1.645 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.328 -5.554 -3.920 1.00 0.00 C ATOM 0 H VAL A 48 -6.108 -3.529 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.052 -6.092 -3.689 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.034 -4.280 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.133 -6.360 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.804 -6.024 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.483 -7.278 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.315 -5.641 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.614 -6.492 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.365 -4.748 -4.653 1.00 0.00 H new ATOM 756 N GLU A 49 -8.910 -5.343 -2.126 1.00 0.00 N ATOM 757 CA GLU A 49 -9.952 -5.094 -1.123 1.00 0.00 C ATOM 758 C GLU A 49 -9.447 -5.506 0.270 1.00 0.00 C ATOM 759 O GLU A 49 -9.601 -6.659 0.691 1.00 0.00 O ATOM 760 CB GLU A 49 -11.240 -5.851 -1.528 1.00 0.00 C ATOM 761 CG GLU A 49 -11.813 -5.414 -2.891 1.00 0.00 C ATOM 762 CD GLU A 49 -12.980 -6.294 -3.366 1.00 0.00 C ATOM 763 OE1 GLU A 49 -12.726 -7.305 -4.056 1.00 0.00 O ATOM 764 OE2 GLU A 49 -14.150 -5.987 -3.049 1.00 0.00 O ATOM 0 H GLU A 49 -9.168 -6.056 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.189 -4.031 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.028 -6.920 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.998 -5.698 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.151 -4.380 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.019 -5.440 -3.637 1.00 0.00 H new ATOM 771 N GLY A 50 -8.782 -4.551 0.929 1.00 0.00 N ATOM 772 CA GLY A 50 -8.139 -4.779 2.212 1.00 0.00 C ATOM 773 C GLY A 50 -7.200 -3.647 2.614 1.00 0.00 C ATOM 774 O GLY A 50 -6.836 -3.563 3.776 1.00 0.00 O ATOM 0 H GLY A 50 -8.679 -3.598 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.903 -4.900 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.578 -5.713 2.171 1.00 0.00 H new ATOM 778 N VAL A 51 -6.794 -2.788 1.648 1.00 0.00 N ATOM 779 CA VAL A 51 -5.828 -1.692 1.889 1.00 0.00 C ATOM 780 C VAL A 51 -6.485 -0.398 2.413 1.00 0.00 C ATOM 781 O VAL A 51 -5.811 0.379 3.077 1.00 0.00 O ATOM 782 CB VAL A 51 -5.036 -1.355 0.580 1.00 0.00 C ATOM 783 CG1 VAL A 51 -4.203 -2.565 0.117 1.00 0.00 C ATOM 784 CG2 VAL A 51 -5.973 -0.852 -0.546 1.00 0.00 C ATOM 0 H VAL A 51 -7.126 -2.836 0.685 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.155 -2.061 2.663 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.350 -0.541 0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.662 -2.307 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.492 -2.837 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.865 -3.408 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.385 -0.629 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.707 -1.623 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.487 0.051 -0.216 1.00 0.00 H new ATOM 794 N LYS A 52 -7.774 -0.190 2.051 1.00 0.00 N ATOM 795 CA LYS A 52 -8.586 1.022 2.307 1.00 0.00 C ATOM 796 C LYS A 52 -7.862 2.333 1.923 1.00 0.00 C ATOM 797 O LYS A 52 -8.121 2.922 0.873 1.00 0.00 O ATOM 798 CB LYS A 52 -9.077 1.061 3.776 1.00 0.00 C ATOM 799 CG LYS A 52 -9.915 2.305 4.153 1.00 0.00 C ATOM 800 CD LYS A 52 -10.227 2.395 5.662 1.00 0.00 C ATOM 801 CE LYS A 52 -11.058 1.210 6.168 1.00 0.00 C ATOM 802 NZ LYS A 52 -12.311 1.035 5.388 1.00 0.00 N ATOM 0 H LYS A 52 -8.302 -0.901 1.546 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.455 0.954 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.673 0.169 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.210 1.013 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.379 3.203 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.852 2.286 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.292 2.442 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.764 3.322 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.463 0.298 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.304 1.362 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.065 0.688 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.595 1.947 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.152 0.347 4.625 1.00 0.00 H new ATOM 816 N SER A 53 -6.941 2.749 2.792 1.00 0.00 N ATOM 817 CA SER A 53 -6.266 4.050 2.711 1.00 0.00 C ATOM 818 C SER A 53 -4.746 3.854 2.642 1.00 0.00 C ATOM 819 O SER A 53 -4.091 3.641 3.662 1.00 0.00 O ATOM 820 CB SER A 53 -6.648 4.923 3.933 1.00 0.00 C ATOM 821 OG SER A 53 -8.051 5.131 3.998 1.00 0.00 O ATOM 0 H SER A 53 -6.636 2.185 3.585 1.00 0.00 H new ATOM 0 HA SER A 53 -6.589 4.562 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.307 4.440 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.138 5.884 3.870 1.00 0.00 H new ATOM 0 HG SER A 53 -8.396 4.771 4.842 1.00 0.00 H new ATOM 827 N ILE A 54 -4.203 3.903 1.421 1.00 0.00 N ATOM 828 CA ILE A 54 -2.760 3.908 1.188 1.00 0.00 C ATOM 829 C ILE A 54 -2.282 5.360 1.329 1.00 0.00 C ATOM 830 O ILE A 54 -2.209 6.121 0.359 1.00 0.00 O ATOM 831 CB ILE A 54 -2.412 3.319 -0.233 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.961 1.872 -0.363 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.893 3.360 -0.532 1.00 0.00 C ATOM 834 CD1 ILE A 54 -2.719 1.236 -1.714 1.00 0.00 C ATOM 0 H ILE A 54 -4.757 3.940 0.565 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.252 3.273 1.913 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.896 3.952 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.502 1.251 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.033 1.883 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.706 2.943 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.544 4.392 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.359 2.773 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.133 0.228 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.202 1.832 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.647 1.190 -1.908 1.00 0.00 H new ATOM 846 N PHE A 55 -2.034 5.750 2.578 1.00 0.00 N ATOM 847 CA PHE A 55 -1.585 7.096 2.924 1.00 0.00 C ATOM 848 C PHE A 55 -0.076 7.177 2.691 1.00 0.00 C ATOM 849 O PHE A 55 0.647 6.231 2.972 1.00 0.00 O ATOM 850 CB PHE A 55 -1.939 7.394 4.407 1.00 0.00 C ATOM 851 CG PHE A 55 -1.492 8.763 4.921 1.00 0.00 C ATOM 852 CD1 PHE A 55 -2.192 9.914 4.581 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.360 8.900 5.727 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.799 11.152 5.046 1.00 0.00 C ATOM 855 CE2 PHE A 55 0.033 10.139 6.192 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.680 11.266 5.839 1.00 0.00 C ATOM 0 H PHE A 55 -2.140 5.135 3.385 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.082 7.841 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.019 7.313 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.489 6.624 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.059 9.838 3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.216 8.025 5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.370 12.032 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.899 10.226 6.832 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.360 12.238 6.185 1.00 0.00 H new ATOM 866 N HIS A 56 0.383 8.305 2.161 1.00 0.00 N ATOM 867 CA HIS A 56 1.803 8.528 1.858 1.00 0.00 C ATOM 868 C HIS A 56 2.185 9.939 2.298 1.00 0.00 C ATOM 869 O HIS A 56 1.446 10.888 2.044 1.00 0.00 O ATOM 870 CB HIS A 56 2.081 8.329 0.342 1.00 0.00 C ATOM 871 CG HIS A 56 3.508 8.625 -0.069 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.851 9.617 -0.968 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.680 8.065 0.327 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.167 9.651 -1.098 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.692 8.720 -0.323 1.00 0.00 N ATOM 0 H HIS A 56 -0.216 9.097 1.926 1.00 0.00 H new ATOM 0 HA HIS A 56 2.409 7.802 2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.842 7.300 0.072 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.410 8.972 -0.227 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.193 10.227 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.793 7.251 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.720 10.328 -1.733 1.00 0.00 H new ATOM 884 N VAL A 57 3.329 10.061 2.977 1.00 0.00 N ATOM 885 CA VAL A 57 3.915 11.360 3.314 1.00 0.00 C ATOM 886 C VAL A 57 5.418 11.185 3.555 1.00 0.00 C ATOM 887 O VAL A 57 5.849 10.126 4.054 1.00 0.00 O ATOM 888 CB VAL A 57 3.208 12.028 4.566 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.489 11.265 5.869 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.571 13.530 4.704 1.00 0.00 C ATOM 0 H VAL A 57 3.873 9.264 3.307 1.00 0.00 H new ATOM 0 HA VAL A 57 3.757 12.038 2.476 1.00 0.00 H new ATOM 0 HB VAL A 57 2.135 11.966 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.983 11.761 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.121 10.243 5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.563 11.249 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.065 13.948 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.649 13.634 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.254 14.065 3.809 1.00 0.00 H new ATOM 900 N MET A 58 6.191 12.198 3.126 1.00 0.00 N ATOM 901 CA MET A 58 7.641 12.289 3.333 1.00 0.00 C ATOM 902 C MET A 58 8.397 11.125 2.640 1.00 0.00 C ATOM 903 O MET A 58 8.910 11.284 1.527 1.00 0.00 O ATOM 904 CB MET A 58 7.982 12.410 4.853 1.00 0.00 C ATOM 905 CG MET A 58 9.470 12.609 5.159 1.00 0.00 C ATOM 906 SD MET A 58 9.814 12.866 6.918 1.00 0.00 S ATOM 907 CE MET A 58 11.607 12.995 6.911 1.00 0.00 C ATOM 0 H MET A 58 5.812 12.994 2.613 1.00 0.00 H new ATOM 0 HA MET A 58 7.992 13.203 2.854 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.423 13.247 5.272 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.637 11.510 5.362 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.025 11.737 4.811 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.838 13.466 4.595 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.964 13.155 7.928 1.00 0.00 H new ATOM 0 HE2 MET A 58 12.036 12.074 6.516 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.909 13.834 6.284 1.00 0.00 H new ATOM 917 N ASP A 59 8.420 9.951 3.284 1.00 0.00 N ATOM 918 CA ASP A 59 9.167 8.775 2.809 1.00 0.00 C ATOM 919 C ASP A 59 8.276 7.520 2.780 1.00 0.00 C ATOM 920 O ASP A 59 8.347 6.723 1.840 1.00 0.00 O ATOM 921 CB ASP A 59 10.400 8.544 3.726 1.00 0.00 C ATOM 922 CG ASP A 59 10.057 8.321 5.223 1.00 0.00 C ATOM 923 OD1 ASP A 59 9.819 9.308 5.945 1.00 0.00 O ATOM 924 OD2 ASP A 59 9.992 7.152 5.676 1.00 0.00 O ATOM 0 H ASP A 59 7.917 9.787 4.156 1.00 0.00 H new ATOM 0 HA ASP A 59 9.501 8.963 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.952 7.678 3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.065 9.404 3.643 1.00 0.00 H new ATOM 929 N PHE A 60 7.398 7.392 3.789 1.00 0.00 N ATOM 930 CA PHE A 60 6.727 6.114 4.127 1.00 0.00 C ATOM 931 C PHE A 60 5.276 6.069 3.653 1.00 0.00 C ATOM 932 O PHE A 60 4.666 7.104 3.350 1.00 0.00 O ATOM 933 CB PHE A 60 6.775 5.859 5.659 1.00 0.00 C ATOM 934 CG PHE A 60 6.037 6.907 6.506 1.00 0.00 C ATOM 935 CD1 PHE A 60 6.630 8.139 6.774 1.00 0.00 C ATOM 936 CD2 PHE A 60 4.755 6.670 7.017 1.00 0.00 C ATOM 937 CE1 PHE A 60 5.971 9.099 7.503 1.00 0.00 C ATOM 938 CE2 PHE A 60 4.099 7.635 7.757 1.00 0.00 C ATOM 939 CZ PHE A 60 4.707 8.848 7.999 1.00 0.00 C ATOM 0 H PHE A 60 7.130 8.167 4.396 1.00 0.00 H new ATOM 0 HA PHE A 60 7.274 5.331 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.346 4.878 5.864 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.817 5.824 5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.624 8.343 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.273 5.722 6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.443 10.053 7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.111 7.439 8.145 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.194 9.603 8.577 1.00 0.00 H new ATOM 949 N ILE A 61 4.726 4.844 3.650 1.00 0.00 N ATOM 950 CA ILE A 61 3.341 4.576 3.267 1.00 0.00 C ATOM 951 C ILE A 61 2.584 3.927 4.445 1.00 0.00 C ATOM 952 O ILE A 61 2.867 2.787 4.823 1.00 0.00 O ATOM 953 CB ILE A 61 3.268 3.639 2.004 1.00 0.00 C ATOM 954 CG1 ILE A 61 3.976 4.296 0.774 1.00 0.00 C ATOM 955 CG2 ILE A 61 1.804 3.283 1.672 1.00 0.00 C ATOM 956 CD1 ILE A 61 3.977 3.454 -0.497 1.00 0.00 C ATOM 0 H ILE A 61 5.242 4.006 3.918 1.00 0.00 H new ATOM 0 HA ILE A 61 2.872 5.526 3.012 1.00 0.00 H new ATOM 0 HB ILE A 61 3.797 2.716 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.490 5.248 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.008 4.519 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.777 2.635 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.354 2.766 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.245 4.196 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.490 3.995 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.491 2.512 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.950 3.252 -0.801 1.00 0.00 H new ATOM 968 N SER A 62 1.631 4.672 5.018 1.00 0.00 N ATOM 969 CA SER A 62 0.720 4.163 6.048 1.00 0.00 C ATOM 970 C SER A 62 -0.492 3.482 5.377 1.00 0.00 C ATOM 971 O SER A 62 -1.431 4.162 4.963 1.00 0.00 O ATOM 972 CB SER A 62 0.254 5.326 6.960 1.00 0.00 C ATOM 973 OG SER A 62 1.353 5.958 7.603 1.00 0.00 O ATOM 0 H SER A 62 1.470 5.650 4.778 1.00 0.00 H new ATOM 0 HA SER A 62 1.240 3.428 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.292 6.059 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.438 4.946 7.711 1.00 0.00 H new ATOM 0 HG SER A 62 1.939 6.361 6.929 1.00 0.00 H new ATOM 979 N VAL A 63 -0.437 2.145 5.211 1.00 0.00 N ATOM 980 CA VAL A 63 -1.572 1.374 4.667 1.00 0.00 C ATOM 981 C VAL A 63 -2.552 1.022 5.811 1.00 0.00 C ATOM 982 O VAL A 63 -2.297 0.106 6.604 1.00 0.00 O ATOM 983 CB VAL A 63 -1.109 0.071 3.905 1.00 0.00 C ATOM 984 CG1 VAL A 63 -2.317 -0.685 3.299 1.00 0.00 C ATOM 985 CG2 VAL A 63 -0.074 0.394 2.803 1.00 0.00 C ATOM 0 H VAL A 63 0.379 1.579 5.445 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.077 1.999 3.930 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.631 -0.575 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.965 -1.577 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.002 -0.974 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.835 -0.036 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.221 -0.527 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.516 1.078 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.803 0.859 3.253 1.00 0.00 H new ATOM 995 N ASP A 64 -3.632 1.812 5.895 1.00 0.00 N ATOM 996 CA ASP A 64 -4.718 1.645 6.875 1.00 0.00 C ATOM 997 C ASP A 64 -5.711 0.628 6.330 1.00 0.00 C ATOM 998 O ASP A 64 -6.546 0.993 5.517 1.00 0.00 O ATOM 999 CB ASP A 64 -5.467 2.990 7.117 1.00 0.00 C ATOM 1000 CG ASP A 64 -4.624 4.123 7.713 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -3.652 4.572 7.065 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -4.934 4.581 8.841 1.00 0.00 O ATOM 0 H ASP A 64 -3.779 2.604 5.269 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.288 1.310 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.880 3.330 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.310 2.801 7.782 1.00 0.00 H new ATOM 1007 N LYS A 65 -5.616 -0.638 6.764 1.00 0.00 N ATOM 1008 CA LYS A 65 -6.458 -1.727 6.225 1.00 0.00 C ATOM 1009 C LYS A 65 -7.959 -1.553 6.564 1.00 0.00 C ATOM 1010 O LYS A 65 -8.352 -0.603 7.253 1.00 0.00 O ATOM 1011 CB LYS A 65 -5.945 -3.122 6.697 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.091 -3.435 8.201 1.00 0.00 C ATOM 1013 CD LYS A 65 -5.767 -4.914 8.512 1.00 0.00 C ATOM 1014 CE LYS A 65 -5.863 -5.262 10.001 1.00 0.00 C ATOM 1015 NZ LYS A 65 -5.738 -6.728 10.224 1.00 0.00 N ATOM 0 H LYS A 65 -4.964 -0.938 7.489 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.371 -1.671 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.477 -3.890 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.891 -3.206 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.426 -2.789 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.108 -3.210 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.451 -5.553 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.761 -5.139 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.079 -4.741 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.816 -4.912 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.654 -6.918 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.581 -7.209 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.892 -7.083 9.735 1.00 0.00 H new ATOM 1029 N GLU A 66 -8.792 -2.482 6.049 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.247 -2.544 6.360 1.00 0.00 C ATOM 1031 C GLU A 66 -10.516 -2.845 7.859 1.00 0.00 C ATOM 1032 O GLU A 66 -9.580 -2.969 8.661 1.00 0.00 O ATOM 1033 CB GLU A 66 -10.937 -3.610 5.463 1.00 0.00 C ATOM 1034 CG GLU A 66 -11.043 -3.242 3.969 1.00 0.00 C ATOM 1035 CD GLU A 66 -12.012 -2.074 3.701 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -13.239 -2.264 3.861 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -11.562 -0.970 3.349 1.00 0.00 O ATOM 0 H GLU A 66 -8.482 -3.211 5.407 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.669 -1.561 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.387 -4.547 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.940 -3.791 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.054 -2.979 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.373 -4.116 3.408 1.00 0.00 H new ATOM 1044 N ASN A 67 -11.814 -2.973 8.218 1.00 0.00 N ATOM 1045 CA ASN A 67 -12.258 -3.246 9.611 1.00 0.00 C ATOM 1046 C ASN A 67 -11.707 -4.587 10.133 1.00 0.00 C ATOM 1047 O ASN A 67 -11.588 -4.786 11.348 1.00 0.00 O ATOM 1048 CB ASN A 67 -13.810 -3.232 9.717 1.00 0.00 C ATOM 1049 CG ASN A 67 -14.501 -4.341 8.904 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -14.738 -5.446 9.402 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -14.829 -4.056 7.652 1.00 0.00 N ATOM 0 H ASN A 67 -12.584 -2.891 7.554 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.856 -2.448 10.235 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -14.094 -3.333 10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.179 -2.264 9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.290 -4.758 7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.621 -3.135 7.267 1.00 0.00 H new ATOM 1058 N ASP A 68 -11.404 -5.504 9.197 1.00 0.00 N ATOM 1059 CA ASP A 68 -10.745 -6.783 9.500 1.00 0.00 C ATOM 1060 C ASP A 68 -9.591 -7.023 8.507 1.00 0.00 C ATOM 1061 O ASP A 68 -8.426 -7.117 8.914 1.00 0.00 O ATOM 1062 CB ASP A 68 -11.787 -7.939 9.440 1.00 0.00 C ATOM 1063 CG ASP A 68 -11.183 -9.328 9.713 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -10.959 -9.664 10.898 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -10.928 -10.086 8.747 1.00 0.00 O ATOM 0 H ASP A 68 -11.611 -5.377 8.206 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.328 -6.751 10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.575 -7.745 10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.256 -7.943 8.456 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.932 -7.047 7.194 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.987 -7.313 6.074 1.00 0.00 C ATOM 1072 C ALA A 69 -8.121 -8.580 6.298 1.00 0.00 C ATOM 1073 O ALA A 69 -8.464 -9.440 7.121 1.00 0.00 O ATOM 1074 CB ALA A 69 -8.116 -6.077 5.787 1.00 0.00 C ATOM 0 H ALA A 69 -10.887 -6.880 6.876 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.595 -7.518 5.193 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.434 -6.295 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.755 -5.237 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.541 -5.822 6.677 1.00 0.00 H new ATOM 1080 N ASN A 70 -7.029 -8.716 5.519 1.00 0.00 N ATOM 1081 CA ASN A 70 -6.054 -9.804 5.694 1.00 0.00 C ATOM 1082 C ASN A 70 -4.702 -9.367 5.092 1.00 0.00 C ATOM 1083 O ASN A 70 -4.602 -9.161 3.881 1.00 0.00 O ATOM 1084 CB ASN A 70 -6.594 -11.108 5.034 1.00 0.00 C ATOM 1085 CG ASN A 70 -5.807 -12.374 5.391 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -4.603 -12.339 5.624 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -6.497 -13.507 5.444 1.00 0.00 N ATOM 0 H ASN A 70 -6.802 -8.078 4.757 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.903 -10.015 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.634 -11.246 5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.585 -10.983 3.951 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.027 -14.380 5.684 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.497 -13.505 5.245 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.678 -9.208 5.952 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.323 -8.794 5.526 1.00 0.00 C ATOM 1096 C TRP A 71 -1.620 -9.893 4.699 1.00 0.00 C ATOM 1097 O TRP A 71 -0.777 -9.579 3.852 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.452 -8.391 6.746 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.809 -7.060 7.399 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -2.108 -6.828 8.720 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -1.870 -5.773 6.755 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -2.328 -5.487 8.930 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.183 -4.826 7.739 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -1.677 -5.334 5.443 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.307 -3.473 7.452 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -1.805 -3.993 5.160 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -2.111 -3.075 6.161 1.00 0.00 C ATOM 0 H TRP A 71 -3.763 -9.361 6.957 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.443 -7.921 4.884 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.527 -9.176 7.498 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.410 -8.352 6.429 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.162 -7.590 9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.561 -5.056 9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.431 -6.037 4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -2.551 -2.759 8.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.666 -3.648 4.146 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.195 -2.028 5.911 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.977 -11.170 4.946 1.00 0.00 N ATOM 1119 CA GLU A 72 -1.426 -12.318 4.183 1.00 0.00 C ATOM 1120 C GLU A 72 -1.940 -12.296 2.725 1.00 0.00 C ATOM 1121 O GLU A 72 -1.335 -12.887 1.831 1.00 0.00 O ATOM 1122 CB GLU A 72 -1.767 -13.669 4.889 1.00 0.00 C ATOM 1123 CG GLU A 72 -1.043 -14.901 4.306 1.00 0.00 C ATOM 1124 CD GLU A 72 -1.331 -16.211 5.060 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -0.646 -16.494 6.066 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -2.237 -16.966 4.651 1.00 0.00 O ATOM 0 H GLU A 72 -2.646 -11.437 5.669 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.340 -12.227 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.517 -13.584 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.843 -13.834 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.336 -15.022 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.031 -14.717 4.316 1.00 0.00 H new ATOM 1133 N THR A 73 -3.067 -11.606 2.505 1.00 0.00 N ATOM 1134 CA THR A 73 -3.623 -11.384 1.164 1.00 0.00 C ATOM 1135 C THR A 73 -2.982 -10.137 0.515 1.00 0.00 C ATOM 1136 O THR A 73 -2.581 -10.170 -0.655 1.00 0.00 O ATOM 1137 CB THR A 73 -5.172 -11.216 1.245 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.734 -12.324 1.972 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.824 -11.137 -0.146 1.00 0.00 C ATOM 0 H THR A 73 -3.619 -11.186 3.253 1.00 0.00 H new ATOM 0 HA THR A 73 -3.396 -12.252 0.545 1.00 0.00 H new ATOM 0 HB THR A 73 -5.375 -10.276 1.758 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.707 -12.220 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.902 -11.020 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.420 -10.283 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.612 -12.052 -0.699 1.00 0.00 H new ATOM 1147 N VAL A 74 -2.880 -9.051 1.310 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.436 -7.724 0.837 1.00 0.00 C ATOM 1149 C VAL A 74 -0.949 -7.717 0.392 1.00 0.00 C ATOM 1150 O VAL A 74 -0.657 -7.406 -0.768 1.00 0.00 O ATOM 1151 CB VAL A 74 -2.685 -6.614 1.939 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.061 -5.246 1.556 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.199 -6.446 2.230 1.00 0.00 C ATOM 0 H VAL A 74 -3.105 -9.071 2.305 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.038 -7.492 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.185 -6.961 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.261 -4.521 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.984 -5.359 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.499 -4.895 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.340 -5.678 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.715 -6.151 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.608 -7.391 2.589 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.034 -8.088 1.316 1.00 0.00 N ATOM 1164 CA LEU A 75 1.436 -7.938 1.117 1.00 0.00 C ATOM 1165 C LEU A 75 1.985 -8.642 -0.156 1.00 0.00 C ATOM 1166 O LEU A 75 2.758 -8.010 -0.857 1.00 0.00 O ATOM 1167 CB LEU A 75 2.259 -8.347 2.389 1.00 0.00 C ATOM 1168 CG LEU A 75 2.448 -7.245 3.479 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.165 -6.002 2.909 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.114 -6.866 4.128 1.00 0.00 C ATOM 0 H LEU A 75 -0.285 -8.497 2.216 1.00 0.00 H new ATOM 0 HA LEU A 75 1.578 -6.870 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.769 -9.204 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.245 -8.680 2.065 1.00 0.00 H new ATOM 0 HG LEU A 75 3.086 -7.664 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.280 -5.256 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.148 -6.289 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.574 -5.583 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.282 -6.097 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.434 -6.485 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.675 -7.746 4.599 1.00 0.00 H new ATOM 1182 N PRO A 76 1.637 -9.943 -0.477 1.00 0.00 N ATOM 1183 CA PRO A 76 2.090 -10.599 -1.744 1.00 0.00 C ATOM 1184 C PRO A 76 1.780 -9.780 -3.023 1.00 0.00 C ATOM 1185 O PRO A 76 2.553 -9.793 -3.987 1.00 0.00 O ATOM 1186 CB PRO A 76 1.321 -11.941 -1.737 1.00 0.00 C ATOM 1187 CG PRO A 76 1.119 -12.244 -0.285 1.00 0.00 C ATOM 1188 CD PRO A 76 0.860 -10.903 0.372 1.00 0.00 C ATOM 0 HA PRO A 76 3.174 -10.706 -1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.369 -11.857 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.890 -12.728 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.279 -12.923 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.998 -12.728 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.202 -10.660 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.201 -10.890 1.407 1.00 0.00 H new ATOM 1196 N LYS A 77 0.647 -9.067 -2.998 1.00 0.00 N ATOM 1197 CA LYS A 77 0.169 -8.242 -4.128 1.00 0.00 C ATOM 1198 C LYS A 77 0.959 -6.919 -4.201 1.00 0.00 C ATOM 1199 O LYS A 77 1.293 -6.439 -5.289 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.354 -7.999 -3.978 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.174 -9.309 -3.863 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.692 -9.070 -3.733 1.00 0.00 C ATOM 1203 CE LYS A 77 -4.498 -10.368 -3.535 1.00 0.00 C ATOM 1204 NZ LYS A 77 -5.961 -10.107 -3.417 1.00 0.00 N ATOM 0 H LYS A 77 0.027 -9.043 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 77 0.339 -8.769 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.532 -7.388 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.711 -7.429 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.984 -9.926 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.826 -9.872 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.877 -8.403 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.051 -8.561 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.316 -11.039 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.148 -10.878 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.465 -11.007 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.138 -9.488 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.302 -9.643 -4.283 1.00 0.00 H new ATOM 1218 N VAL A 78 1.252 -6.344 -3.018 1.00 0.00 N ATOM 1219 CA VAL A 78 2.110 -5.146 -2.890 1.00 0.00 C ATOM 1220 C VAL A 78 3.544 -5.476 -3.368 1.00 0.00 C ATOM 1221 O VAL A 78 4.168 -4.697 -4.094 1.00 0.00 O ATOM 1222 CB VAL A 78 2.141 -4.611 -1.402 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.994 -3.326 -1.271 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.715 -4.368 -0.855 1.00 0.00 C ATOM 0 H VAL A 78 0.903 -6.694 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 78 1.689 -4.359 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 78 2.609 -5.389 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.990 -2.991 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.018 -3.536 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.576 -2.545 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.776 -4.001 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.208 -3.629 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.154 -5.303 -0.873 1.00 0.00 H new ATOM 1234 N GLU A 79 4.022 -6.676 -2.990 1.00 0.00 N ATOM 1235 CA GLU A 79 5.345 -7.190 -3.382 1.00 0.00 C ATOM 1236 C GLU A 79 5.433 -7.365 -4.898 1.00 0.00 C ATOM 1237 O GLU A 79 6.461 -7.093 -5.477 1.00 0.00 O ATOM 1238 CB GLU A 79 5.647 -8.540 -2.678 1.00 0.00 C ATOM 1239 CG GLU A 79 5.935 -8.428 -1.172 1.00 0.00 C ATOM 1240 CD GLU A 79 6.153 -9.794 -0.494 1.00 0.00 C ATOM 1241 OE1 GLU A 79 5.161 -10.436 -0.075 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.320 -10.245 -0.389 1.00 0.00 O ATOM 0 H GLU A 79 3.496 -7.320 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 79 6.090 -6.458 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.798 -9.208 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.505 -9.004 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.820 -7.810 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.104 -7.917 -0.686 1.00 0.00 H new ATOM 1249 N ALA A 80 4.323 -7.792 -5.521 1.00 0.00 N ATOM 1250 CA ALA A 80 4.237 -7.997 -6.987 1.00 0.00 C ATOM 1251 C ALA A 80 4.546 -6.697 -7.772 1.00 0.00 C ATOM 1252 O ALA A 80 5.041 -6.748 -8.900 1.00 0.00 O ATOM 1253 CB ALA A 80 2.859 -8.560 -7.362 1.00 0.00 C ATOM 0 H ALA A 80 3.456 -8.007 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 80 4.999 -8.723 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.807 -8.707 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.707 -9.515 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.083 -7.859 -7.053 1.00 0.00 H new ATOM 1259 N VAL A 81 4.219 -5.547 -7.162 1.00 0.00 N ATOM 1260 CA VAL A 81 4.440 -4.209 -7.753 1.00 0.00 C ATOM 1261 C VAL A 81 5.949 -3.889 -7.914 1.00 0.00 C ATOM 1262 O VAL A 81 6.419 -3.613 -9.023 1.00 0.00 O ATOM 1263 CB VAL A 81 3.715 -3.119 -6.874 1.00 0.00 C ATOM 1264 CG1 VAL A 81 4.147 -1.669 -7.207 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.179 -3.281 -6.985 1.00 0.00 C ATOM 0 H VAL A 81 3.790 -5.515 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 81 4.012 -4.201 -8.756 1.00 0.00 H new ATOM 0 HB VAL A 81 4.024 -3.290 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.609 -0.972 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.219 -1.561 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.918 -1.452 -8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.688 -2.523 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.875 -3.162 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.891 -4.272 -6.634 1.00 0.00 H new ATOM 1275 N PHE A 82 6.684 -3.904 -6.796 1.00 0.00 N ATOM 1276 CA PHE A 82 8.140 -3.609 -6.774 1.00 0.00 C ATOM 1277 C PHE A 82 8.948 -4.782 -7.363 1.00 0.00 C ATOM 1278 O PHE A 82 9.885 -4.586 -8.147 1.00 0.00 O ATOM 1279 CB PHE A 82 8.573 -3.310 -5.320 1.00 0.00 C ATOM 1280 CG PHE A 82 7.657 -2.289 -4.647 1.00 0.00 C ATOM 1281 CD1 PHE A 82 7.816 -0.920 -4.866 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.603 -2.708 -3.846 1.00 0.00 C ATOM 1283 CE1 PHE A 82 6.950 -0.010 -4.294 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.746 -1.799 -3.270 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.915 -0.456 -3.497 1.00 0.00 C ATOM 0 H PHE A 82 6.297 -4.119 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 82 8.340 -2.735 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.570 -4.235 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.597 -2.936 -5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.625 -0.569 -5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.454 -3.763 -3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.082 1.047 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.940 -2.142 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.235 0.255 -3.050 1.00 0.00 H new ATOM 1295 N GLU A 83 8.550 -5.996 -6.973 1.00 0.00 N ATOM 1296 CA GLU A 83 9.142 -7.256 -7.447 1.00 0.00 C ATOM 1297 C GLU A 83 8.258 -7.801 -8.583 1.00 0.00 C ATOM 1298 O GLU A 83 7.510 -8.772 -8.396 1.00 0.00 O ATOM 1299 CB GLU A 83 9.245 -8.287 -6.273 1.00 0.00 C ATOM 1300 CG GLU A 83 9.800 -7.726 -4.949 1.00 0.00 C ATOM 1301 CD GLU A 83 11.265 -7.265 -5.021 1.00 0.00 C ATOM 1302 OE1 GLU A 83 12.175 -8.092 -4.767 1.00 0.00 O ATOM 1303 OE2 GLU A 83 11.520 -6.075 -5.319 1.00 0.00 O ATOM 0 H GLU A 83 7.792 -6.136 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 83 10.152 -7.083 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.254 -8.700 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.880 -9.114 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.182 -6.884 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.710 -8.491 -4.178 1.00 0.00 H new ATOM 1310 N LEU A 84 8.298 -7.106 -9.736 1.00 0.00 N ATOM 1311 CA LEU A 84 7.590 -7.524 -10.970 1.00 0.00 C ATOM 1312 C LEU A 84 8.007 -8.945 -11.388 1.00 0.00 C ATOM 1313 O LEU A 84 7.215 -9.704 -11.954 1.00 0.00 O ATOM 1314 CB LEU A 84 7.887 -6.524 -12.118 1.00 0.00 C ATOM 1315 CG LEU A 84 7.321 -5.080 -11.940 1.00 0.00 C ATOM 1316 CD1 LEU A 84 7.796 -4.144 -13.073 1.00 0.00 C ATOM 1317 CD2 LEU A 84 5.777 -5.092 -11.853 1.00 0.00 C ATOM 0 H LEU A 84 8.822 -6.237 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 84 6.519 -7.528 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.968 -6.455 -12.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.486 -6.937 -13.044 1.00 0.00 H new ATOM 0 HG LEU A 84 7.711 -4.692 -10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.384 -3.147 -12.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.885 -4.091 -13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.455 -4.532 -14.033 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.412 -4.073 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.364 -5.517 -12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.465 -5.695 -11.000 1.00 0.00 H new