USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=23 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 31 TYR OH : rot -17:sc= 0.43 USER MOD Set 1.2: A 37 SER OG : rot -86:sc= 0.738 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET CE :methyl -146:sc= 0 (180deg=-0.711) USER MOD Set 3.2: A 26 MET CE :methyl -173:sc= -1.41 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.768 (180deg=0.0535) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 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 13 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00809 USER MOD Single : A 15 MET CE :methyl 143:sc=-0.00232 (180deg=-0.718) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 36:sc= 0.254 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 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 38 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.7!) USER MOD Single : A 43 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.5!) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0375 (180deg=-0.173) USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= 0.573 (180deg=-0.515) USER MOD Single : A 53 SER OG : rot 180:sc=-0.000352 USER MOD Single : A 56 HIS : no HD1:sc= 1.18 K(o=1.5,f=-7.5!) USER MOD Single : A 58 MET CE :methyl 167:sc= -0.0759 (180deg=-0.315) USER MOD Single : A 62 SER OG : rot 66:sc= 0.567 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.605 (180deg=0.605) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 70 ASN : amide:sc= -0.687 X(o=-0.69,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0217 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.408 3.477 -4.384 1.00 0.00 N ATOM 2 CA MET A 1 10.079 3.334 -3.747 1.00 0.00 C ATOM 3 C MET A 1 9.660 1.855 -3.735 1.00 0.00 C ATOM 4 O MET A 1 9.103 1.350 -4.714 1.00 0.00 O ATOM 5 CB MET A 1 9.020 4.214 -4.469 1.00 0.00 C ATOM 6 CG MET A 1 9.305 5.725 -4.435 1.00 0.00 C ATOM 7 SD MET A 1 8.015 6.687 -5.259 1.00 0.00 S ATOM 8 CE MET A 1 8.605 8.369 -5.022 1.00 0.00 C ATOM 0 H1 MET A 1 11.976 4.166 -3.851 1.00 0.00 H new ATOM 0 H2 MET A 1 11.893 2.557 -4.386 1.00 0.00 H new ATOM 0 H3 MET A 1 11.290 3.808 -5.363 1.00 0.00 H new ATOM 0 HA MET A 1 10.144 3.682 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.951 3.895 -5.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.046 4.032 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.393 6.052 -3.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.264 5.922 -4.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.754 9.039 -4.900 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.232 8.413 -4.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.187 8.676 -5.891 1.00 0.00 H new ATOM 20 N LYS A 2 9.992 1.160 -2.630 1.00 0.00 N ATOM 21 CA LYS A 2 9.608 -0.245 -2.403 1.00 0.00 C ATOM 22 C LYS A 2 9.715 -0.583 -0.911 1.00 0.00 C ATOM 23 O LYS A 2 10.300 0.189 -0.140 1.00 0.00 O ATOM 24 CB LYS A 2 10.478 -1.227 -3.248 1.00 0.00 C ATOM 25 CG LYS A 2 11.982 -1.265 -2.907 1.00 0.00 C ATOM 26 CD LYS A 2 12.738 -2.318 -3.749 1.00 0.00 C ATOM 27 CE LYS A 2 14.234 -2.415 -3.410 1.00 0.00 C ATOM 28 NZ LYS A 2 14.928 -3.441 -4.230 1.00 0.00 N ATOM 0 H LYS A 2 10.537 1.560 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 2 8.574 -0.365 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.074 -2.232 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.371 -0.962 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.418 -0.281 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.108 -1.488 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.275 -3.293 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.628 -2.074 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.705 -1.445 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.351 -2.656 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.934 -3.472 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.497 -4.372 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.840 -3.198 -5.237 1.00 0.00 H new ATOM 42 N ILE A 3 9.147 -1.743 -0.513 1.00 0.00 N ATOM 43 CA ILE A 3 9.201 -2.216 0.884 1.00 0.00 C ATOM 44 C ILE A 3 10.665 -2.525 1.266 1.00 0.00 C ATOM 45 O ILE A 3 11.206 -3.582 0.917 1.00 0.00 O ATOM 46 CB ILE A 3 8.287 -3.485 1.134 1.00 0.00 C ATOM 47 CG1 ILE A 3 6.806 -3.201 0.704 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.358 -3.935 2.619 1.00 0.00 C ATOM 49 CD1 ILE A 3 5.840 -4.368 0.877 1.00 0.00 C ATOM 0 H ILE A 3 8.645 -2.369 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 3 8.810 -1.420 1.517 1.00 0.00 H new ATOM 0 HB ILE A 3 8.666 -4.300 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.434 -2.355 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.801 -2.899 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.722 -4.808 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.387 -4.189 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.015 -3.124 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.844 -4.067 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.179 -5.213 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.806 -4.659 1.927 1.00 0.00 H new ATOM 61 N ILE A 4 11.309 -1.541 1.904 1.00 0.00 N ATOM 62 CA ILE A 4 12.694 -1.648 2.393 1.00 0.00 C ATOM 63 C ILE A 4 12.694 -2.109 3.852 1.00 0.00 C ATOM 64 O ILE A 4 13.510 -2.956 4.253 1.00 0.00 O ATOM 65 CB ILE A 4 13.432 -0.263 2.234 1.00 0.00 C ATOM 66 CG1 ILE A 4 13.543 0.106 0.722 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.827 -0.238 2.921 1.00 0.00 C ATOM 68 CD1 ILE A 4 14.446 -0.803 -0.099 1.00 0.00 C ATOM 0 H ILE A 4 10.881 -0.636 2.099 1.00 0.00 H new ATOM 0 HA ILE A 4 13.232 -2.388 1.800 1.00 0.00 H new ATOM 0 HB ILE A 4 12.831 0.488 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 4 12.544 0.090 0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.911 1.129 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.286 0.740 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.711 -0.431 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.463 -1.005 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.457 -0.465 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.458 -0.771 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 4 14.070 -1.825 -0.055 1.00 0.00 H new ATOM 80 N SER A 5 11.758 -1.559 4.637 1.00 0.00 N ATOM 81 CA SER A 5 11.611 -1.888 6.050 1.00 0.00 C ATOM 82 C SER A 5 10.136 -1.726 6.463 1.00 0.00 C ATOM 83 O SER A 5 9.364 -1.034 5.787 1.00 0.00 O ATOM 84 CB SER A 5 12.552 -0.993 6.896 1.00 0.00 C ATOM 85 OG SER A 5 12.645 -1.447 8.231 1.00 0.00 O ATOM 0 H SER A 5 11.082 -0.872 4.303 1.00 0.00 H new ATOM 0 HA SER A 5 11.896 -2.925 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.545 -0.981 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.185 0.033 6.885 1.00 0.00 H new ATOM 0 HG SER A 5 13.247 -0.861 8.735 1.00 0.00 H new ATOM 91 N ILE A 6 9.748 -2.389 7.563 1.00 0.00 N ATOM 92 CA ILE A 6 8.381 -2.346 8.116 1.00 0.00 C ATOM 93 C ILE A 6 8.426 -1.722 9.518 1.00 0.00 C ATOM 94 O ILE A 6 9.286 -2.072 10.332 1.00 0.00 O ATOM 95 CB ILE A 6 7.744 -3.795 8.193 1.00 0.00 C ATOM 96 CG1 ILE A 6 7.546 -4.399 6.764 1.00 0.00 C ATOM 97 CG2 ILE A 6 6.406 -3.818 8.990 1.00 0.00 C ATOM 98 CD1 ILE A 6 6.547 -3.657 5.883 1.00 0.00 C ATOM 0 H ILE A 6 10.382 -2.979 8.102 1.00 0.00 H new ATOM 0 HA ILE A 6 7.758 -1.742 7.456 1.00 0.00 H new ATOM 0 HB ILE A 6 8.452 -4.418 8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.511 -4.418 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.219 -5.434 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.013 -4.834 9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 6.584 -3.476 10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.684 -3.160 8.507 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.479 -4.151 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.568 -3.660 6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.879 -2.628 5.743 1.00 0.00 H new ATOM 110 N SER A 7 7.499 -0.793 9.776 1.00 0.00 N ATOM 111 CA SER A 7 7.295 -0.188 11.096 1.00 0.00 C ATOM 112 C SER A 7 5.868 -0.543 11.549 1.00 0.00 C ATOM 113 O SER A 7 4.911 0.222 11.328 1.00 0.00 O ATOM 114 CB SER A 7 7.522 1.350 11.041 1.00 0.00 C ATOM 115 OG SER A 7 8.721 1.675 10.354 1.00 0.00 O ATOM 0 H SER A 7 6.861 -0.436 9.064 1.00 0.00 H new ATOM 0 HA SER A 7 8.016 -0.576 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.676 1.826 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.562 1.749 12.054 1.00 0.00 H new ATOM 0 HG SER A 7 8.834 2.648 10.335 1.00 0.00 H new ATOM 178 N HIS A 12 -3.662 -2.201 14.827 1.00 0.00 N ATOM 179 CA HIS A 12 -3.825 -2.928 13.550 1.00 0.00 C ATOM 180 C HIS A 12 -4.411 -2.016 12.454 1.00 0.00 C ATOM 181 O HIS A 12 -4.511 -0.795 12.647 1.00 0.00 O ATOM 182 CB HIS A 12 -4.686 -4.189 13.810 1.00 0.00 C ATOM 183 CG HIS A 12 -4.061 -5.136 14.806 1.00 0.00 C ATOM 184 ND1 HIS A 12 -4.770 -5.773 15.802 1.00 0.00 N ATOM 185 CD2 HIS A 12 -2.772 -5.535 14.959 1.00 0.00 C ATOM 186 CE1 HIS A 12 -3.951 -6.516 16.521 1.00 0.00 C ATOM 187 NE2 HIS A 12 -2.738 -6.390 16.031 1.00 0.00 N ATOM 0 HA HIS A 12 -2.853 -3.245 13.173 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.667 -3.883 14.174 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.845 -4.714 12.868 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.931 -5.235 14.351 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.230 -7.125 17.369 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.904 -6.854 16.391 1.00 0.00 H new ATOM 196 N ASN A 13 -4.756 -2.642 11.307 1.00 0.00 N ATOM 197 CA ASN A 13 -5.263 -1.989 10.077 1.00 0.00 C ATOM 198 C ASN A 13 -4.109 -1.324 9.310 1.00 0.00 C ATOM 199 O ASN A 13 -3.738 -1.765 8.225 1.00 0.00 O ATOM 200 CB ASN A 13 -6.425 -0.979 10.328 1.00 0.00 C ATOM 201 CG ASN A 13 -7.674 -1.615 10.937 1.00 0.00 C ATOM 202 OD1 ASN A 13 -7.806 -1.708 12.157 1.00 0.00 O ATOM 203 ND2 ASN A 13 -8.595 -2.063 10.097 1.00 0.00 N ATOM 0 H ASN A 13 -4.687 -3.655 11.208 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.695 -2.782 9.467 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.071 -0.189 10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.693 -0.506 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.444 -2.500 10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.456 -1.971 9.091 1.00 0.00 H new ATOM 210 N THR A 14 -3.515 -0.291 9.898 1.00 0.00 N ATOM 211 CA THR A 14 -2.468 0.500 9.235 1.00 0.00 C ATOM 212 C THR A 14 -1.073 0.175 9.796 1.00 0.00 C ATOM 213 O THR A 14 -0.892 0.048 11.017 1.00 0.00 O ATOM 214 CB THR A 14 -2.767 2.040 9.318 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.740 2.780 8.641 1.00 0.00 O ATOM 216 CG2 THR A 14 -2.920 2.551 10.762 1.00 0.00 C ATOM 0 H THR A 14 -3.739 0.025 10.841 1.00 0.00 H new ATOM 0 HA THR A 14 -2.473 0.220 8.182 1.00 0.00 H new ATOM 0 HB THR A 14 -3.727 2.198 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.936 3.738 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.125 3.621 10.749 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.745 2.029 11.247 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.998 2.365 11.313 1.00 0.00 H new ATOM 224 N MET A 15 -0.091 0.011 8.879 1.00 0.00 N ATOM 225 CA MET A 15 1.342 -0.082 9.248 1.00 0.00 C ATOM 226 C MET A 15 2.174 0.829 8.331 1.00 0.00 C ATOM 227 O MET A 15 1.837 1.031 7.157 1.00 0.00 O ATOM 228 CB MET A 15 1.893 -1.540 9.184 1.00 0.00 C ATOM 229 CG MET A 15 2.040 -2.141 7.771 1.00 0.00 C ATOM 230 SD MET A 15 3.068 -3.630 7.732 1.00 0.00 S ATOM 231 CE MET A 15 2.241 -4.702 8.907 1.00 0.00 C ATOM 0 H MET A 15 -0.265 -0.060 7.876 1.00 0.00 H new ATOM 0 HA MET A 15 1.426 0.245 10.285 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.868 -1.561 9.671 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.233 -2.184 9.765 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.051 -2.380 7.380 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.472 -1.392 7.108 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.285 -5.732 8.553 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.735 -4.630 9.876 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.199 -4.397 9.008 1.00 0.00 H new ATOM 241 N LYS A 16 3.275 1.342 8.888 1.00 0.00 N ATOM 242 CA LYS A 16 4.164 2.315 8.235 1.00 0.00 C ATOM 243 C LYS A 16 5.293 1.589 7.465 1.00 0.00 C ATOM 244 O LYS A 16 6.259 1.117 8.065 1.00 0.00 O ATOM 245 CB LYS A 16 4.731 3.254 9.338 1.00 0.00 C ATOM 246 CG LYS A 16 5.823 4.238 8.884 1.00 0.00 C ATOM 247 CD LYS A 16 6.345 5.114 10.048 1.00 0.00 C ATOM 248 CE LYS A 16 7.474 6.063 9.621 1.00 0.00 C ATOM 249 NZ LYS A 16 7.957 6.905 10.744 1.00 0.00 N ATOM 0 H LYS A 16 3.582 1.088 9.827 1.00 0.00 H new ATOM 0 HA LYS A 16 3.616 2.905 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.905 3.827 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.135 2.637 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.654 3.681 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.426 4.881 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.520 5.699 10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.703 4.468 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.305 5.480 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.120 6.705 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.718 7.529 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.172 7.482 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.320 6.295 11.504 1.00 0.00 H new ATOM 263 N ILE A 17 5.138 1.464 6.139 1.00 0.00 N ATOM 264 CA ILE A 17 6.171 0.865 5.267 1.00 0.00 C ATOM 265 C ILE A 17 7.269 1.897 4.972 1.00 0.00 C ATOM 266 O ILE A 17 7.034 2.885 4.279 1.00 0.00 O ATOM 267 CB ILE A 17 5.567 0.329 3.916 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.500 -0.773 4.209 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.687 -0.195 2.973 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.828 -1.365 2.979 1.00 0.00 C ATOM 0 H ILE A 17 4.303 1.771 5.640 1.00 0.00 H new ATOM 0 HA ILE A 17 6.595 0.014 5.799 1.00 0.00 H new ATOM 0 HB ILE A 17 5.073 1.153 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.977 -1.579 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.731 -0.350 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.242 -0.559 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.381 0.614 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.224 -1.008 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.105 -2.120 3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.316 -0.576 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.581 -1.824 2.339 1.00 0.00 H new ATOM 282 N THR A 18 8.456 1.653 5.522 1.00 0.00 N ATOM 283 CA THR A 18 9.641 2.497 5.308 1.00 0.00 C ATOM 284 C THR A 18 10.245 2.258 3.904 1.00 0.00 C ATOM 285 O THR A 18 10.440 1.104 3.482 1.00 0.00 O ATOM 286 CB THR A 18 10.710 2.217 6.415 1.00 0.00 C ATOM 287 OG1 THR A 18 10.140 2.481 7.708 1.00 0.00 O ATOM 288 CG2 THR A 18 11.992 3.060 6.235 1.00 0.00 C ATOM 0 H THR A 18 8.630 0.857 6.136 1.00 0.00 H new ATOM 0 HA THR A 18 9.333 3.541 5.370 1.00 0.00 H new ATOM 0 HB THR A 18 10.998 1.169 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.808 2.304 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.698 2.824 7.031 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.445 2.832 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.740 4.120 6.276 1.00 0.00 H new ATOM 296 N LEU A 19 10.515 3.365 3.183 1.00 0.00 N ATOM 297 CA LEU A 19 11.180 3.344 1.868 1.00 0.00 C ATOM 298 C LEU A 19 12.659 3.755 2.039 1.00 0.00 C ATOM 299 O LEU A 19 13.044 4.275 3.098 1.00 0.00 O ATOM 300 CB LEU A 19 10.437 4.295 0.885 1.00 0.00 C ATOM 301 CG LEU A 19 8.876 4.122 0.819 1.00 0.00 C ATOM 302 CD1 LEU A 19 8.236 5.093 -0.187 1.00 0.00 C ATOM 303 CD2 LEU A 19 8.457 2.664 0.515 1.00 0.00 C ATOM 0 H LEU A 19 10.275 4.304 3.501 1.00 0.00 H new ATOM 0 HA LEU A 19 11.147 2.338 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.659 5.324 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.844 4.144 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 19 8.500 4.369 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.157 4.942 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.454 6.119 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.643 4.908 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.370 2.598 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.870 2.360 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.836 2.006 1.297 1.00 0.00 H new ATOM 315 N SER A 20 13.481 3.525 1.000 1.00 0.00 N ATOM 316 CA SER A 20 14.940 3.778 1.062 1.00 0.00 C ATOM 317 C SER A 20 15.257 5.281 0.958 1.00 0.00 C ATOM 318 O SER A 20 16.290 5.737 1.462 1.00 0.00 O ATOM 319 CB SER A 20 15.674 2.999 -0.057 1.00 0.00 C ATOM 320 OG SER A 20 17.086 3.129 0.046 1.00 0.00 O ATOM 0 H SER A 20 13.162 3.163 0.101 1.00 0.00 H new ATOM 0 HA SER A 20 15.295 3.426 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.402 1.945 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.346 3.365 -1.030 1.00 0.00 H new ATOM 0 HG SER A 20 17.515 2.623 -0.676 1.00 0.00 H new ATOM 326 N GLU A 21 14.363 6.040 0.302 1.00 0.00 N ATOM 327 CA GLU A 21 14.572 7.468 0.032 1.00 0.00 C ATOM 328 C GLU A 21 14.191 8.300 1.273 1.00 0.00 C ATOM 329 O GLU A 21 13.100 8.882 1.347 1.00 0.00 O ATOM 330 CB GLU A 21 13.781 7.935 -1.231 1.00 0.00 C ATOM 331 CG GLU A 21 14.093 7.193 -2.555 1.00 0.00 C ATOM 332 CD GLU A 21 13.607 5.727 -2.601 1.00 0.00 C ATOM 333 OE1 GLU A 21 12.382 5.497 -2.542 1.00 0.00 O ATOM 334 OE2 GLU A 21 14.439 4.798 -2.705 1.00 0.00 O ATOM 0 H GLU A 21 13.478 5.680 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 21 15.629 7.626 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.716 7.831 -1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.974 8.997 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.635 7.740 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.170 7.210 -2.721 1.00 0.00 H new ATOM 341 N SER A 22 15.093 8.287 2.271 1.00 0.00 N ATOM 342 CA SER A 22 14.989 9.125 3.473 1.00 0.00 C ATOM 343 C SER A 22 15.655 10.491 3.193 1.00 0.00 C ATOM 344 O SER A 22 16.374 10.636 2.192 1.00 0.00 O ATOM 345 CB SER A 22 15.647 8.404 4.674 1.00 0.00 C ATOM 346 OG SER A 22 15.425 9.095 5.892 1.00 0.00 O ATOM 0 H SER A 22 15.920 7.689 2.263 1.00 0.00 H new ATOM 0 HA SER A 22 13.943 9.297 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.249 7.392 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.719 8.312 4.499 1.00 0.00 H new ATOM 0 HG SER A 22 15.854 8.609 6.627 1.00 0.00 H new ATOM 352 N ARG A 23 15.405 11.478 4.085 1.00 0.00 N ATOM 353 CA ARG A 23 15.780 12.903 3.891 1.00 0.00 C ATOM 354 C ARG A 23 14.931 13.541 2.763 1.00 0.00 C ATOM 355 O ARG A 23 14.177 12.841 2.075 1.00 0.00 O ATOM 356 CB ARG A 23 17.314 13.093 3.620 1.00 0.00 C ATOM 357 CG ARG A 23 18.249 12.532 4.718 1.00 0.00 C ATOM 358 CD ARG A 23 18.108 13.270 6.058 1.00 0.00 C ATOM 359 NE ARG A 23 18.479 14.693 5.953 1.00 0.00 N ATOM 360 CZ ARG A 23 18.086 15.665 6.786 1.00 0.00 C ATOM 361 NH1 ARG A 23 17.301 15.399 7.819 1.00 0.00 N ATOM 362 NH2 ARG A 23 18.496 16.901 6.598 1.00 0.00 N ATOM 0 H ARG A 23 14.931 11.307 4.972 1.00 0.00 H new ATOM 0 HA ARG A 23 15.565 13.420 4.826 1.00 0.00 H new ATOM 0 HB2 ARG A 23 17.562 12.613 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 23 17.517 14.157 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 23 18.032 11.474 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 23 19.282 12.601 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 23 17.079 13.190 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 23 18.738 12.786 6.805 1.00 0.00 H new ATOM 0 HE ARG A 23 19.087 14.960 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.988 14.443 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.010 16.150 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.114 17.120 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.196 17.640 7.233 1.00 0.00 H new ATOM 376 N GLU A 24 15.079 14.866 2.582 1.00 0.00 N ATOM 377 CA GLU A 24 14.287 15.682 1.629 1.00 0.00 C ATOM 378 C GLU A 24 12.771 15.556 1.915 1.00 0.00 C ATOM 379 O GLU A 24 12.199 16.380 2.639 1.00 0.00 O ATOM 380 CB GLU A 24 14.619 15.358 0.130 1.00 0.00 C ATOM 381 CG GLU A 24 16.020 15.795 -0.362 1.00 0.00 C ATOM 382 CD GLU A 24 17.175 15.054 0.327 1.00 0.00 C ATOM 383 OE1 GLU A 24 17.321 13.836 0.101 1.00 0.00 O ATOM 384 OE2 GLU A 24 17.943 15.674 1.093 1.00 0.00 O ATOM 0 H GLU A 24 15.764 15.415 3.101 1.00 0.00 H new ATOM 0 HA GLU A 24 14.577 16.721 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.522 14.283 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.869 15.836 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.085 15.631 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.136 16.866 -0.195 1.00 0.00 H new ATOM 391 N GLY A 25 12.147 14.491 1.381 1.00 0.00 N ATOM 392 CA GLY A 25 10.716 14.240 1.533 1.00 0.00 C ATOM 393 C GLY A 25 10.046 14.008 0.194 1.00 0.00 C ATOM 394 O GLY A 25 10.414 14.632 -0.807 1.00 0.00 O ATOM 0 H GLY A 25 12.630 13.781 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.564 13.370 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.248 15.088 2.033 1.00 0.00 H new ATOM 398 N MET A 26 9.069 13.101 0.166 1.00 0.00 N ATOM 399 CA MET A 26 8.229 12.847 -1.016 1.00 0.00 C ATOM 400 C MET A 26 6.962 13.716 -0.948 1.00 0.00 C ATOM 401 O MET A 26 6.906 14.669 -0.169 1.00 0.00 O ATOM 402 CB MET A 26 7.867 11.340 -1.072 1.00 0.00 C ATOM 403 CG MET A 26 9.069 10.408 -1.242 1.00 0.00 C ATOM 404 SD MET A 26 8.596 8.669 -1.251 1.00 0.00 S ATOM 405 CE MET A 26 10.200 7.884 -1.294 1.00 0.00 C ATOM 0 H MET A 26 8.833 12.515 0.967 1.00 0.00 H new ATOM 0 HA MET A 26 8.773 13.109 -1.923 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.340 11.071 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.175 11.175 -1.898 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.581 10.647 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.779 10.584 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.076 6.809 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.781 8.289 -2.123 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.723 8.074 -0.357 1.00 0.00 H new ATOM 415 N THR A 27 5.963 13.408 -1.778 1.00 0.00 N ATOM 416 CA THR A 27 4.673 14.116 -1.765 1.00 0.00 C ATOM 417 C THR A 27 3.695 13.413 -0.807 1.00 0.00 C ATOM 418 O THR A 27 3.811 12.205 -0.547 1.00 0.00 O ATOM 419 CB THR A 27 4.086 14.177 -3.212 1.00 0.00 C ATOM 420 OG1 THR A 27 5.130 14.570 -4.128 1.00 0.00 O ATOM 421 CG2 THR A 27 2.910 15.169 -3.342 1.00 0.00 C ATOM 0 H THR A 27 6.021 12.666 -2.476 1.00 0.00 H new ATOM 0 HA THR A 27 4.826 15.135 -1.411 1.00 0.00 H new ATOM 0 HB THR A 27 3.703 13.184 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.769 14.609 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.545 15.167 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.106 14.870 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.249 16.171 -3.079 1.00 0.00 H new ATOM 429 N SER A 28 2.748 14.191 -0.274 1.00 0.00 N ATOM 430 CA SER A 28 1.692 13.685 0.608 1.00 0.00 C ATOM 431 C SER A 28 0.506 13.200 -0.246 1.00 0.00 C ATOM 432 O SER A 28 -0.244 14.003 -0.810 1.00 0.00 O ATOM 433 CB SER A 28 1.271 14.772 1.621 1.00 0.00 C ATOM 434 OG SER A 28 0.894 15.983 0.976 1.00 0.00 O ATOM 0 H SER A 28 2.692 15.195 -0.443 1.00 0.00 H new ATOM 0 HA SER A 28 2.064 12.838 1.185 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.438 14.406 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.095 14.968 2.307 1.00 0.00 H new ATOM 0 HG SER A 28 0.431 15.777 0.137 1.00 0.00 H new ATOM 440 N ASP A 29 0.379 11.873 -0.361 1.00 0.00 N ATOM 441 CA ASP A 29 -0.607 11.219 -1.224 1.00 0.00 C ATOM 442 C ASP A 29 -1.484 10.270 -0.410 1.00 0.00 C ATOM 443 O ASP A 29 -1.073 9.143 -0.108 1.00 0.00 O ATOM 444 CB ASP A 29 0.120 10.436 -2.338 1.00 0.00 C ATOM 445 CG ASP A 29 0.930 11.338 -3.274 1.00 0.00 C ATOM 446 OD1 ASP A 29 0.324 11.990 -4.145 1.00 0.00 O ATOM 447 OD2 ASP A 29 2.170 11.384 -3.146 1.00 0.00 O ATOM 0 H ASP A 29 0.967 11.215 0.151 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.244 11.982 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.786 9.702 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.614 9.881 -2.923 1.00 0.00 H new ATOM 452 N THR A 30 -2.672 10.738 -0.013 1.00 0.00 N ATOM 453 CA THR A 30 -3.668 9.894 0.656 1.00 0.00 C ATOM 454 C THR A 30 -4.569 9.245 -0.421 1.00 0.00 C ATOM 455 O THR A 30 -5.636 9.767 -0.768 1.00 0.00 O ATOM 456 CB THR A 30 -4.500 10.723 1.695 1.00 0.00 C ATOM 457 OG1 THR A 30 -3.603 11.502 2.511 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.361 9.832 2.613 1.00 0.00 C ATOM 0 H THR A 30 -2.969 11.705 -0.145 1.00 0.00 H new ATOM 0 HA THR A 30 -3.168 9.106 1.220 1.00 0.00 H new ATOM 0 HB THR A 30 -5.175 11.365 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.120 12.022 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.915 10.458 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.061 9.256 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.716 9.151 3.169 1.00 0.00 H new ATOM 466 N TYR A 31 -4.080 8.125 -0.987 1.00 0.00 N ATOM 467 CA TYR A 31 -4.769 7.384 -2.051 1.00 0.00 C ATOM 468 C TYR A 31 -5.830 6.473 -1.433 1.00 0.00 C ATOM 469 O TYR A 31 -5.500 5.506 -0.750 1.00 0.00 O ATOM 470 CB TYR A 31 -3.767 6.537 -2.871 1.00 0.00 C ATOM 471 CG TYR A 31 -2.730 7.336 -3.668 1.00 0.00 C ATOM 472 CD1 TYR A 31 -3.105 8.441 -4.443 1.00 0.00 C ATOM 473 CD2 TYR A 31 -1.385 6.956 -3.691 1.00 0.00 C ATOM 474 CE1 TYR A 31 -2.176 9.131 -5.202 1.00 0.00 C ATOM 475 CE2 TYR A 31 -0.459 7.649 -4.443 1.00 0.00 C ATOM 476 CZ TYR A 31 -0.861 8.734 -5.201 1.00 0.00 C ATOM 477 OH TYR A 31 0.065 9.416 -5.959 1.00 0.00 O ATOM 0 H TYR A 31 -3.189 7.709 -0.714 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.243 8.100 -2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.241 5.868 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.329 5.910 -3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.137 8.760 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.065 6.104 -3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.484 9.980 -5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.577 7.345 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.398 9.961 -6.629 1.00 0.00 H new ATOM 487 N THR A 32 -7.100 6.808 -1.659 1.00 0.00 N ATOM 488 CA THR A 32 -8.254 6.100 -1.078 1.00 0.00 C ATOM 489 C THR A 32 -9.170 5.561 -2.190 1.00 0.00 C ATOM 490 O THR A 32 -9.690 4.440 -2.099 1.00 0.00 O ATOM 491 CB THR A 32 -9.044 7.070 -0.139 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.313 8.304 -0.840 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.263 7.378 1.154 1.00 0.00 C ATOM 0 H THR A 32 -7.366 7.589 -2.259 1.00 0.00 H new ATOM 0 HA THR A 32 -7.896 5.252 -0.494 1.00 0.00 H new ATOM 0 HB THR A 32 -9.977 6.580 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.809 8.912 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.846 8.055 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.079 6.451 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.312 7.846 0.902 1.00 0.00 H new ATOM 501 N LYS A 33 -9.351 6.373 -3.243 1.00 0.00 N ATOM 502 CA LYS A 33 -10.250 6.051 -4.362 1.00 0.00 C ATOM 503 C LYS A 33 -9.612 6.506 -5.698 1.00 0.00 C ATOM 504 O LYS A 33 -10.298 7.005 -6.592 1.00 0.00 O ATOM 505 CB LYS A 33 -11.646 6.704 -4.100 1.00 0.00 C ATOM 506 CG LYS A 33 -12.838 6.197 -4.980 1.00 0.00 C ATOM 507 CD LYS A 33 -13.369 4.770 -4.618 1.00 0.00 C ATOM 508 CE LYS A 33 -12.505 3.611 -5.159 1.00 0.00 C ATOM 509 NZ LYS A 33 -12.990 2.283 -4.718 1.00 0.00 N ATOM 0 H LYS A 33 -8.878 7.271 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.401 4.974 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.905 6.545 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.550 7.780 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.661 6.907 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.525 6.197 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.432 4.684 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.382 4.663 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.497 3.647 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.475 3.746 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.375 1.541 -5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.973 2.235 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.963 2.139 -5.056 1.00 0.00 H new ATOM 523 N VAL A 34 -8.280 6.289 -5.802 1.00 0.00 N ATOM 524 CA VAL A 34 -7.466 6.547 -7.020 1.00 0.00 C ATOM 525 C VAL A 34 -7.380 8.051 -7.388 1.00 0.00 C ATOM 526 O VAL A 34 -8.397 8.739 -7.519 1.00 0.00 O ATOM 527 CB VAL A 34 -7.965 5.694 -8.260 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.261 6.099 -9.584 1.00 0.00 C ATOM 529 CG2 VAL A 34 -7.786 4.177 -7.990 1.00 0.00 C ATOM 0 H VAL A 34 -7.727 5.922 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.456 6.223 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.026 5.909 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.640 5.484 -10.400 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.463 7.149 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.186 5.949 -9.485 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.135 3.610 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.732 3.960 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.365 3.893 -7.112 1.00 0.00 H new ATOM 539 N ASP A 35 -6.139 8.556 -7.537 1.00 0.00 N ATOM 540 CA ASP A 35 -5.883 9.910 -8.056 1.00 0.00 C ATOM 541 C ASP A 35 -5.649 9.839 -9.581 1.00 0.00 C ATOM 542 O ASP A 35 -6.616 9.890 -10.350 1.00 0.00 O ATOM 543 CB ASP A 35 -4.689 10.572 -7.314 1.00 0.00 C ATOM 544 CG ASP A 35 -4.404 12.013 -7.788 1.00 0.00 C ATOM 545 OD1 ASP A 35 -5.075 12.954 -7.308 1.00 0.00 O ATOM 546 OD2 ASP A 35 -3.493 12.212 -8.630 1.00 0.00 O ATOM 0 H ASP A 35 -5.292 8.038 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.754 10.540 -7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.895 10.582 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.796 9.964 -7.461 1.00 0.00 H new ATOM 551 N ASP A 36 -4.376 9.624 -9.987 1.00 0.00 N ATOM 552 CA ASP A 36 -3.923 9.695 -11.401 1.00 0.00 C ATOM 553 C ASP A 36 -2.382 9.655 -11.445 1.00 0.00 C ATOM 554 O ASP A 36 -1.789 8.975 -12.293 1.00 0.00 O ATOM 555 CB ASP A 36 -4.429 10.991 -12.108 1.00 0.00 C ATOM 556 CG ASP A 36 -3.843 11.208 -13.518 1.00 0.00 C ATOM 557 OD1 ASP A 36 -4.273 10.526 -14.471 1.00 0.00 O ATOM 558 OD2 ASP A 36 -2.953 12.073 -13.671 1.00 0.00 O ATOM 0 H ASP A 36 -3.624 9.394 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.341 8.840 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.516 10.952 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.181 11.852 -11.487 1.00 0.00 H new ATOM 563 N SER A 37 -1.760 10.406 -10.512 1.00 0.00 N ATOM 564 CA SER A 37 -0.294 10.600 -10.435 1.00 0.00 C ATOM 565 C SER A 37 0.445 9.276 -10.158 1.00 0.00 C ATOM 566 O SER A 37 1.533 9.031 -10.691 1.00 0.00 O ATOM 567 CB SER A 37 0.024 11.650 -9.342 1.00 0.00 C ATOM 568 OG SER A 37 -0.624 11.328 -8.121 1.00 0.00 O ATOM 0 H SER A 37 -2.268 10.902 -9.780 1.00 0.00 H new ATOM 0 HA SER A 37 0.060 10.961 -11.401 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.101 11.700 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.295 12.637 -9.677 1.00 0.00 H new ATOM 0 HG SER A 37 -1.534 11.691 -8.128 1.00 0.00 H new ATOM 574 N GLN A 38 -0.166 8.449 -9.304 1.00 0.00 N ATOM 575 CA GLN A 38 0.288 7.081 -9.020 1.00 0.00 C ATOM 576 C GLN A 38 0.284 6.201 -10.298 1.00 0.00 C ATOM 577 O GLN A 38 -0.602 6.357 -11.150 1.00 0.00 O ATOM 578 CB GLN A 38 -0.625 6.441 -7.942 1.00 0.00 C ATOM 579 CG GLN A 38 -2.130 6.417 -8.304 1.00 0.00 C ATOM 580 CD GLN A 38 -3.060 5.938 -7.180 1.00 0.00 C ATOM 581 OE1 GLN A 38 -4.206 6.369 -7.092 1.00 0.00 O ATOM 582 NE2 GLN A 38 -2.599 5.034 -6.333 1.00 0.00 N ATOM 0 H GLN A 38 -1.002 8.713 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 38 1.313 7.136 -8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.292 5.419 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.498 6.987 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.433 7.421 -8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.270 5.771 -9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.643 4.690 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.199 4.681 -5.588 1.00 0.00 H new ATOM 591 N PRO A 39 1.305 5.296 -10.467 1.00 0.00 N ATOM 592 CA PRO A 39 1.283 4.227 -11.499 1.00 0.00 C ATOM 593 C PRO A 39 -0.012 3.379 -11.493 1.00 0.00 C ATOM 594 O PRO A 39 -0.684 3.250 -10.455 1.00 0.00 O ATOM 595 CB PRO A 39 2.513 3.352 -11.133 1.00 0.00 C ATOM 596 CG PRO A 39 3.462 4.295 -10.462 1.00 0.00 C ATOM 597 CD PRO A 39 2.598 5.299 -9.718 1.00 0.00 C ATOM 0 HA PRO A 39 1.315 4.648 -12.504 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.234 2.533 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.960 2.905 -12.021 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.121 3.763 -9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.099 4.794 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.456 5.008 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.053 6.289 -9.713 1.00 0.00 H new ATOM 605 N ALA A 40 -0.330 2.796 -12.666 1.00 0.00 N ATOM 606 CA ALA A 40 -1.479 1.878 -12.850 1.00 0.00 C ATOM 607 C ALA A 40 -1.387 0.673 -11.889 1.00 0.00 C ATOM 608 O ALA A 40 -2.398 0.171 -11.385 1.00 0.00 O ATOM 609 CB ALA A 40 -1.541 1.405 -14.313 1.00 0.00 C ATOM 0 H ALA A 40 0.206 2.948 -13.521 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.396 2.419 -12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.388 0.731 -14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.661 2.267 -14.969 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.619 0.882 -14.566 1.00 0.00 H new ATOM 615 N PHE A 41 -0.141 0.267 -11.618 1.00 0.00 N ATOM 616 CA PHE A 41 0.186 -0.841 -10.708 1.00 0.00 C ATOM 617 C PHE A 41 -0.290 -0.539 -9.261 1.00 0.00 C ATOM 618 O PHE A 41 -0.715 -1.443 -8.539 1.00 0.00 O ATOM 619 CB PHE A 41 1.716 -1.092 -10.740 1.00 0.00 C ATOM 620 CG PHE A 41 2.306 -1.271 -12.142 1.00 0.00 C ATOM 621 CD1 PHE A 41 2.181 -2.479 -12.829 1.00 0.00 C ATOM 622 CD2 PHE A 41 2.996 -0.228 -12.770 1.00 0.00 C ATOM 623 CE1 PHE A 41 2.721 -2.636 -14.095 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.534 -0.386 -14.034 1.00 0.00 C ATOM 625 CZ PHE A 41 3.400 -1.591 -14.697 1.00 0.00 C ATOM 0 H PHE A 41 0.683 0.705 -12.031 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.336 -1.738 -11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.218 -0.256 -10.253 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.937 -1.982 -10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.656 -3.303 -12.368 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.110 0.716 -12.259 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.612 -3.577 -14.614 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.059 0.433 -14.503 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.824 -1.717 -15.682 1.00 0.00 H new ATOM 635 N ILE A 42 -0.231 0.752 -8.862 1.00 0.00 N ATOM 636 CA ILE A 42 -0.670 1.201 -7.518 1.00 0.00 C ATOM 637 C ILE A 42 -2.220 1.339 -7.468 1.00 0.00 C ATOM 638 O ILE A 42 -2.833 1.257 -6.388 1.00 0.00 O ATOM 639 CB ILE A 42 0.018 2.565 -7.103 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.560 2.544 -7.385 1.00 0.00 C ATOM 641 CG2 ILE A 42 -0.244 2.889 -5.604 1.00 0.00 C ATOM 642 CD1 ILE A 42 2.373 1.623 -6.492 1.00 0.00 C ATOM 0 H ILE A 42 0.118 1.506 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.359 0.442 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.429 3.348 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.718 2.249 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.945 3.558 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.240 3.831 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.317 2.973 -5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.162 2.090 -4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.425 1.683 -6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.254 1.927 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.024 0.598 -6.613 1.00 0.00 H new ATOM 654 N ASN A 43 -2.853 1.524 -8.651 1.00 0.00 N ATOM 655 CA ASN A 43 -4.325 1.547 -8.770 1.00 0.00 C ATOM 656 C ASN A 43 -4.877 0.143 -8.488 1.00 0.00 C ATOM 657 O ASN A 43 -5.929 -0.005 -7.868 1.00 0.00 O ATOM 658 CB ASN A 43 -4.765 2.020 -10.178 1.00 0.00 C ATOM 659 CG ASN A 43 -4.367 3.461 -10.531 1.00 0.00 C ATOM 660 OD1 ASN A 43 -4.044 3.760 -11.681 1.00 0.00 O ATOM 661 ND2 ASN A 43 -4.433 4.372 -9.568 1.00 0.00 N ATOM 0 H ASN A 43 -2.364 1.659 -9.536 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.724 2.253 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.336 1.348 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.849 1.929 -10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.213 5.347 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.703 4.097 -8.624 1.00 0.00 H new ATOM 668 N ASP A 44 -4.119 -0.882 -8.934 1.00 0.00 N ATOM 669 CA ASP A 44 -4.425 -2.297 -8.654 1.00 0.00 C ATOM 670 C ASP A 44 -4.435 -2.562 -7.138 1.00 0.00 C ATOM 671 O ASP A 44 -5.317 -3.267 -6.640 1.00 0.00 O ATOM 672 CB ASP A 44 -3.396 -3.219 -9.360 1.00 0.00 C ATOM 673 CG ASP A 44 -3.575 -4.716 -9.021 1.00 0.00 C ATOM 674 OD1 ASP A 44 -4.451 -5.382 -9.622 1.00 0.00 O ATOM 675 OD2 ASP A 44 -2.833 -5.244 -8.157 1.00 0.00 O ATOM 0 H ASP A 44 -3.279 -0.749 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.418 -2.519 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.481 -3.086 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.390 -2.909 -9.079 1.00 0.00 H new ATOM 680 N ILE A 45 -3.449 -1.970 -6.427 1.00 0.00 N ATOM 681 CA ILE A 45 -3.340 -2.068 -4.954 1.00 0.00 C ATOM 682 C ILE A 45 -4.636 -1.567 -4.284 1.00 0.00 C ATOM 683 O ILE A 45 -5.183 -2.226 -3.410 1.00 0.00 O ATOM 684 CB ILE A 45 -2.103 -1.257 -4.394 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.776 -1.745 -5.039 1.00 0.00 C ATOM 686 CG2 ILE A 45 -2.008 -1.341 -2.855 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.484 -1.046 -4.534 1.00 0.00 C ATOM 0 H ILE A 45 -2.710 -1.413 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.187 -3.120 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.261 -0.213 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.675 -2.816 -4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.842 -1.607 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.145 -0.770 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.915 -0.929 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.897 -2.383 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.356 -1.456 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.414 0.023 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.583 -1.205 -3.460 1.00 0.00 H new ATOM 699 N LEU A 46 -5.135 -0.411 -4.733 1.00 0.00 N ATOM 700 CA LEU A 46 -6.400 0.161 -4.226 1.00 0.00 C ATOM 701 C LEU A 46 -7.618 -0.739 -4.550 1.00 0.00 C ATOM 702 O LEU A 46 -8.547 -0.850 -3.737 1.00 0.00 O ATOM 703 CB LEU A 46 -6.585 1.593 -4.785 1.00 0.00 C ATOM 704 CG LEU A 46 -5.557 2.643 -4.253 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.711 4.003 -4.956 1.00 0.00 C ATOM 706 CD2 LEU A 46 -5.672 2.800 -2.716 1.00 0.00 C ATOM 0 H LEU A 46 -4.683 0.155 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.340 0.213 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.515 1.555 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.591 1.935 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.561 2.268 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.978 4.704 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.549 3.879 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.715 4.390 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.946 3.536 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.677 3.133 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.473 1.842 -2.236 1.00 0.00 H new ATOM 718 N LYS A 47 -7.603 -1.379 -5.734 1.00 0.00 N ATOM 719 CA LYS A 47 -8.692 -2.290 -6.181 1.00 0.00 C ATOM 720 C LYS A 47 -8.582 -3.685 -5.534 1.00 0.00 C ATOM 721 O LYS A 47 -9.421 -4.566 -5.790 1.00 0.00 O ATOM 722 CB LYS A 47 -8.735 -2.386 -7.740 1.00 0.00 C ATOM 723 CG LYS A 47 -9.597 -1.300 -8.425 1.00 0.00 C ATOM 724 CD LYS A 47 -9.147 0.145 -8.107 1.00 0.00 C ATOM 725 CE LYS A 47 -10.057 1.190 -8.757 1.00 0.00 C ATOM 726 NZ LYS A 47 -10.137 1.016 -10.230 1.00 0.00 N ATOM 0 H LYS A 47 -6.844 -1.285 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.635 -1.859 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.717 -2.320 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.118 -3.367 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.566 -1.451 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.635 -1.424 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.141 0.292 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.124 0.290 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.057 1.118 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.684 2.188 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.605 1.843 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.178 0.923 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.684 0.159 -10.449 1.00 0.00 H new ATOM 740 N VAL A 48 -7.536 -3.896 -4.718 1.00 0.00 N ATOM 741 CA VAL A 48 -7.467 -5.040 -3.804 1.00 0.00 C ATOM 742 C VAL A 48 -8.485 -4.824 -2.673 1.00 0.00 C ATOM 743 O VAL A 48 -8.367 -3.854 -1.896 1.00 0.00 O ATOM 744 CB VAL A 48 -6.027 -5.228 -3.187 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.996 -6.337 -2.102 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.976 -5.503 -4.287 1.00 0.00 C ATOM 0 H VAL A 48 -6.723 -3.282 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.696 -5.943 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.769 -4.289 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.985 -6.431 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.679 -6.075 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.302 -7.286 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.995 -5.628 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.243 -6.412 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.948 -4.664 -4.982 1.00 0.00 H new ATOM 756 N GLU A 49 -9.500 -5.709 -2.608 1.00 0.00 N ATOM 757 CA GLU A 49 -10.396 -5.795 -1.450 1.00 0.00 C ATOM 758 C GLU A 49 -9.557 -6.201 -0.234 1.00 0.00 C ATOM 759 O GLU A 49 -9.333 -7.391 0.019 1.00 0.00 O ATOM 760 CB GLU A 49 -11.553 -6.801 -1.703 1.00 0.00 C ATOM 761 CG GLU A 49 -12.527 -6.391 -2.825 1.00 0.00 C ATOM 762 CD GLU A 49 -13.204 -5.030 -2.574 1.00 0.00 C ATOM 763 OE1 GLU A 49 -14.061 -4.943 -1.673 1.00 0.00 O ATOM 764 OE2 GLU A 49 -12.895 -4.045 -3.277 1.00 0.00 O ATOM 0 H GLU A 49 -9.716 -6.375 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.865 -4.828 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.125 -7.773 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.117 -6.926 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.986 -6.351 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.295 -7.158 -2.929 1.00 0.00 H new ATOM 771 N GLY A 50 -9.025 -5.185 0.449 1.00 0.00 N ATOM 772 CA GLY A 50 -8.081 -5.387 1.523 1.00 0.00 C ATOM 773 C GLY A 50 -7.379 -4.103 1.912 1.00 0.00 C ATOM 774 O GLY A 50 -7.404 -3.720 3.068 1.00 0.00 O ATOM 0 H GLY A 50 -9.243 -4.206 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.601 -5.793 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.341 -6.127 1.220 1.00 0.00 H new ATOM 778 N VAL A 51 -6.794 -3.414 0.918 1.00 0.00 N ATOM 779 CA VAL A 51 -5.862 -2.284 1.152 1.00 0.00 C ATOM 780 C VAL A 51 -6.566 -1.031 1.714 1.00 0.00 C ATOM 781 O VAL A 51 -6.009 -0.374 2.574 1.00 0.00 O ATOM 782 CB VAL A 51 -5.071 -1.929 -0.158 1.00 0.00 C ATOM 783 CG1 VAL A 51 -4.193 -0.654 0.005 1.00 0.00 C ATOM 784 CG2 VAL A 51 -4.203 -3.138 -0.589 1.00 0.00 C ATOM 0 H VAL A 51 -6.949 -3.619 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.157 -2.619 1.913 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.802 -1.709 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.667 -0.452 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.828 0.196 0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.468 -0.811 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.656 -2.888 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.496 -3.380 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.845 -3.998 -0.777 1.00 0.00 H new ATOM 794 N LYS A 52 -7.765 -0.722 1.188 1.00 0.00 N ATOM 795 CA LYS A 52 -8.633 0.405 1.607 1.00 0.00 C ATOM 796 C LYS A 52 -7.984 1.776 1.300 1.00 0.00 C ATOM 797 O LYS A 52 -8.410 2.489 0.377 1.00 0.00 O ATOM 798 CB LYS A 52 -9.029 0.305 3.112 1.00 0.00 C ATOM 799 CG LYS A 52 -10.006 1.411 3.618 1.00 0.00 C ATOM 800 CD LYS A 52 -9.753 1.829 5.087 1.00 0.00 C ATOM 801 CE LYS A 52 -9.787 0.656 6.076 1.00 0.00 C ATOM 802 NZ LYS A 52 -9.380 1.068 7.444 1.00 0.00 N ATOM 0 H LYS A 52 -8.176 -1.268 0.431 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.547 0.330 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.487 -0.669 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.121 0.343 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.914 2.288 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.031 1.052 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.783 2.321 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.503 2.563 5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.793 0.238 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.124 -0.134 5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.843 0.299 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.785 1.919 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.227 1.275 8.011 1.00 0.00 H new ATOM 816 N SER A 53 -6.952 2.128 2.085 1.00 0.00 N ATOM 817 CA SER A 53 -6.289 3.442 2.021 1.00 0.00 C ATOM 818 C SER A 53 -4.753 3.293 2.004 1.00 0.00 C ATOM 819 O SER A 53 -4.190 2.331 2.540 1.00 0.00 O ATOM 820 CB SER A 53 -6.736 4.300 3.229 1.00 0.00 C ATOM 821 OG SER A 53 -6.176 5.610 3.201 1.00 0.00 O ATOM 0 H SER A 53 -6.552 1.505 2.786 1.00 0.00 H new ATOM 0 HA SER A 53 -6.581 3.937 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.824 4.373 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.443 3.802 4.153 1.00 0.00 H new ATOM 0 HG SER A 53 -6.487 6.115 3.981 1.00 0.00 H new ATOM 827 N ILE A 54 -4.100 4.284 1.378 1.00 0.00 N ATOM 828 CA ILE A 54 -2.637 4.414 1.279 1.00 0.00 C ATOM 829 C ILE A 54 -2.273 5.838 1.713 1.00 0.00 C ATOM 830 O ILE A 54 -2.572 6.792 0.999 1.00 0.00 O ATOM 831 CB ILE A 54 -2.129 4.153 -0.202 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.377 2.671 -0.625 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.637 4.548 -0.388 1.00 0.00 C ATOM 834 CD1 ILE A 54 -1.984 2.338 -2.057 1.00 0.00 C ATOM 0 H ILE A 54 -4.593 5.044 0.910 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.158 3.672 1.918 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.712 4.797 -0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.822 2.019 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.434 2.443 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.334 4.352 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.511 5.608 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.018 3.961 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.193 1.287 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.557 2.959 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.920 2.529 -2.196 1.00 0.00 H new ATOM 846 N PHE A 55 -1.687 5.988 2.905 1.00 0.00 N ATOM 847 CA PHE A 55 -1.240 7.295 3.410 1.00 0.00 C ATOM 848 C PHE A 55 0.276 7.432 3.181 1.00 0.00 C ATOM 849 O PHE A 55 1.089 7.005 4.001 1.00 0.00 O ATOM 850 CB PHE A 55 -1.614 7.464 4.906 1.00 0.00 C ATOM 851 CG PHE A 55 -1.252 8.837 5.472 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.939 9.980 5.054 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.222 8.994 6.403 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.615 11.226 5.551 1.00 0.00 C ATOM 855 CE2 PHE A 55 0.102 10.243 6.900 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.594 11.361 6.471 1.00 0.00 C ATOM 0 H PHE A 55 -1.509 5.214 3.545 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.747 8.091 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.685 7.301 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.108 6.694 5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.736 9.887 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.329 8.128 6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.161 12.097 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.898 10.347 7.623 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.338 12.337 6.856 1.00 0.00 H new ATOM 866 N HIS A 56 0.635 7.996 2.034 1.00 0.00 N ATOM 867 CA HIS A 56 2.028 8.243 1.637 1.00 0.00 C ATOM 868 C HIS A 56 2.432 9.673 2.031 1.00 0.00 C ATOM 869 O HIS A 56 1.655 10.601 1.819 1.00 0.00 O ATOM 870 CB HIS A 56 2.144 8.021 0.105 1.00 0.00 C ATOM 871 CG HIS A 56 3.475 8.386 -0.497 1.00 0.00 C ATOM 872 ND1 HIS A 56 3.623 9.362 -1.459 1.00 0.00 N ATOM 873 CD2 HIS A 56 4.714 7.876 -0.295 1.00 0.00 C ATOM 874 CE1 HIS A 56 4.884 9.433 -1.824 1.00 0.00 C ATOM 875 NE2 HIS A 56 5.566 8.543 -1.131 1.00 0.00 N ATOM 0 H HIS A 56 -0.042 8.303 1.336 1.00 0.00 H new ATOM 0 HA HIS A 56 2.704 7.557 2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.941 6.972 -0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.367 8.604 -0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.979 7.090 0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.291 10.105 -2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.570 8.378 -1.206 1.00 0.00 H new ATOM 884 N VAL A 57 3.631 9.831 2.633 1.00 0.00 N ATOM 885 CA VAL A 57 4.204 11.153 2.976 1.00 0.00 C ATOM 886 C VAL A 57 5.673 10.975 3.442 1.00 0.00 C ATOM 887 O VAL A 57 6.038 9.903 3.937 1.00 0.00 O ATOM 888 CB VAL A 57 3.330 11.920 4.066 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.320 11.205 5.423 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.750 13.403 4.221 1.00 0.00 C ATOM 0 H VAL A 57 4.229 9.047 2.895 1.00 0.00 H new ATOM 0 HA VAL A 57 4.190 11.777 2.083 1.00 0.00 H new ATOM 0 HB VAL A 57 2.308 11.907 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.710 11.770 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.904 10.205 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.339 11.131 5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.125 13.881 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.794 13.455 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.627 13.918 3.268 1.00 0.00 H new ATOM 900 N MET A 58 6.490 12.040 3.257 1.00 0.00 N ATOM 901 CA MET A 58 7.958 12.098 3.532 1.00 0.00 C ATOM 902 C MET A 58 8.775 10.856 3.052 1.00 0.00 C ATOM 903 O MET A 58 9.327 10.876 1.955 1.00 0.00 O ATOM 904 CB MET A 58 8.307 12.534 5.003 1.00 0.00 C ATOM 905 CG MET A 58 7.694 11.713 6.144 1.00 0.00 C ATOM 906 SD MET A 58 8.309 12.193 7.780 1.00 0.00 S ATOM 907 CE MET A 58 7.843 13.923 7.868 1.00 0.00 C ATOM 0 H MET A 58 6.134 12.925 2.896 1.00 0.00 H new ATOM 0 HA MET A 58 8.303 12.907 2.888 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.391 12.509 5.114 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.997 13.571 5.130 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.610 11.826 6.123 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.907 10.657 5.978 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.950 14.277 8.893 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.489 14.508 7.213 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.806 14.037 7.551 1.00 0.00 H new ATOM 917 N ASP A 59 8.847 9.771 3.845 1.00 0.00 N ATOM 918 CA ASP A 59 9.733 8.615 3.534 1.00 0.00 C ATOM 919 C ASP A 59 9.042 7.272 3.818 1.00 0.00 C ATOM 920 O ASP A 59 9.713 6.235 3.948 1.00 0.00 O ATOM 921 CB ASP A 59 11.072 8.743 4.328 1.00 0.00 C ATOM 922 CG ASP A 59 10.943 8.523 5.859 1.00 0.00 C ATOM 923 OD1 ASP A 59 10.131 9.220 6.514 1.00 0.00 O ATOM 924 OD2 ASP A 59 11.684 7.674 6.414 1.00 0.00 O ATOM 0 H ASP A 59 8.308 9.663 4.704 1.00 0.00 H new ATOM 0 HA ASP A 59 9.955 8.634 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.785 8.021 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.490 9.734 4.151 1.00 0.00 H new ATOM 929 N PHE A 60 7.692 7.276 3.866 1.00 0.00 N ATOM 930 CA PHE A 60 6.921 6.063 4.189 1.00 0.00 C ATOM 931 C PHE A 60 5.558 5.994 3.474 1.00 0.00 C ATOM 932 O PHE A 60 5.066 6.987 2.911 1.00 0.00 O ATOM 933 CB PHE A 60 6.738 5.932 5.724 1.00 0.00 C ATOM 934 CG PHE A 60 5.864 7.004 6.381 1.00 0.00 C ATOM 935 CD1 PHE A 60 6.411 8.208 6.817 1.00 0.00 C ATOM 936 CD2 PHE A 60 4.501 6.794 6.594 1.00 0.00 C ATOM 937 CE1 PHE A 60 5.624 9.160 7.437 1.00 0.00 C ATOM 938 CE2 PHE A 60 3.720 7.747 7.216 1.00 0.00 C ATOM 939 CZ PHE A 60 4.282 8.927 7.638 1.00 0.00 C ATOM 0 H PHE A 60 7.120 8.101 3.686 1.00 0.00 H new ATOM 0 HA PHE A 60 7.503 5.220 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.305 4.955 5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.722 5.954 6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.463 8.400 6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.049 5.869 6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.063 10.090 7.765 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.667 7.565 7.371 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.672 9.672 8.127 1.00 0.00 H new ATOM 949 N ILE A 61 4.960 4.785 3.540 1.00 0.00 N ATOM 950 CA ILE A 61 3.629 4.463 3.006 1.00 0.00 C ATOM 951 C ILE A 61 2.845 3.704 4.097 1.00 0.00 C ATOM 952 O ILE A 61 3.094 2.518 4.336 1.00 0.00 O ATOM 953 CB ILE A 61 3.722 3.568 1.701 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.518 4.299 0.568 1.00 0.00 C ATOM 955 CG2 ILE A 61 2.315 3.154 1.206 1.00 0.00 C ATOM 956 CD1 ILE A 61 4.697 3.506 -0.721 1.00 0.00 C ATOM 0 H ILE A 61 5.410 3.983 3.982 1.00 0.00 H new ATOM 0 HA ILE A 61 3.124 5.390 2.733 1.00 0.00 H new ATOM 0 HB ILE A 61 4.267 2.661 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.007 5.232 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.503 4.563 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.410 2.541 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.809 2.583 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.733 4.046 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.261 4.101 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.239 2.584 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.719 3.264 -1.138 1.00 0.00 H new ATOM 968 N SER A 62 1.934 4.397 4.787 1.00 0.00 N ATOM 969 CA SER A 62 1.060 3.780 5.790 1.00 0.00 C ATOM 970 C SER A 62 -0.149 3.128 5.107 1.00 0.00 C ATOM 971 O SER A 62 -1.145 3.797 4.808 1.00 0.00 O ATOM 972 CB SER A 62 0.617 4.818 6.839 1.00 0.00 C ATOM 973 OG SER A 62 1.737 5.325 7.530 1.00 0.00 O ATOM 0 H SER A 62 1.782 5.398 4.667 1.00 0.00 H new ATOM 0 HA SER A 62 1.618 3.002 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.083 5.633 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.077 4.359 7.544 1.00 0.00 H new ATOM 0 HG SER A 62 2.299 5.837 6.911 1.00 0.00 H new ATOM 979 N VAL A 63 -0.033 1.817 4.832 1.00 0.00 N ATOM 980 CA VAL A 63 -1.104 1.040 4.193 1.00 0.00 C ATOM 981 C VAL A 63 -2.146 0.695 5.263 1.00 0.00 C ATOM 982 O VAL A 63 -1.888 -0.125 6.152 1.00 0.00 O ATOM 983 CB VAL A 63 -0.562 -0.265 3.493 1.00 0.00 C ATOM 984 CG1 VAL A 63 -1.714 -1.127 2.902 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.472 0.091 2.396 1.00 0.00 C ATOM 0 H VAL A 63 0.802 1.271 5.046 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.554 1.641 3.403 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.067 -0.863 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.297 -2.016 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.392 -1.425 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.261 -0.544 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.833 -0.824 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.001 0.724 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.310 0.623 2.845 1.00 0.00 H new ATOM 995 N ASP A 64 -3.282 1.402 5.204 1.00 0.00 N ATOM 996 CA ASP A 64 -4.398 1.250 6.141 1.00 0.00 C ATOM 997 C ASP A 64 -5.417 0.266 5.581 1.00 0.00 C ATOM 998 O ASP A 64 -6.382 0.669 4.920 1.00 0.00 O ATOM 999 CB ASP A 64 -5.057 2.625 6.435 1.00 0.00 C ATOM 1000 CG ASP A 64 -6.280 2.547 7.373 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -6.223 1.826 8.389 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -7.309 3.206 7.092 1.00 0.00 O ATOM 0 H ASP A 64 -3.452 2.109 4.489 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.016 0.855 7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.313 3.286 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.363 3.079 5.492 1.00 0.00 H new ATOM 1007 N LYS A 65 -5.175 -1.031 5.833 1.00 0.00 N ATOM 1008 CA LYS A 65 -6.046 -2.102 5.351 1.00 0.00 C ATOM 1009 C LYS A 65 -7.340 -2.181 6.184 1.00 0.00 C ATOM 1010 O LYS A 65 -7.502 -1.478 7.196 1.00 0.00 O ATOM 1011 CB LYS A 65 -5.310 -3.478 5.335 1.00 0.00 C ATOM 1012 CG LYS A 65 -5.097 -4.125 6.717 1.00 0.00 C ATOM 1013 CD LYS A 65 -4.716 -5.613 6.636 1.00 0.00 C ATOM 1014 CE LYS A 65 -4.716 -6.276 8.019 1.00 0.00 C ATOM 1015 NZ LYS A 65 -6.045 -6.207 8.683 1.00 0.00 N ATOM 0 H LYS A 65 -4.375 -1.359 6.373 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.318 -1.862 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.879 -4.169 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.338 -3.346 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.313 -3.584 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.009 -4.021 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.417 -6.133 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.728 -5.712 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.417 -7.319 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.972 -5.791 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.993 -6.668 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.321 -5.212 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.752 -6.693 8.095 1.00 0.00 H new ATOM 1029 N GLU A 66 -8.257 -3.050 5.743 1.00 0.00 N ATOM 1030 CA GLU A 66 -9.542 -3.281 6.413 1.00 0.00 C ATOM 1031 C GLU A 66 -9.355 -4.131 7.686 1.00 0.00 C ATOM 1032 O GLU A 66 -8.238 -4.576 7.992 1.00 0.00 O ATOM 1033 CB GLU A 66 -10.510 -3.969 5.426 1.00 0.00 C ATOM 1034 CG GLU A 66 -10.688 -3.225 4.091 1.00 0.00 C ATOM 1035 CD GLU A 66 -11.603 -3.968 3.104 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -11.259 -5.095 2.687 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -12.676 -3.443 2.750 1.00 0.00 O ATOM 0 H GLU A 66 -8.127 -3.617 4.905 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.964 -2.324 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.147 -4.976 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.484 -4.072 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.101 -2.235 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.711 -3.078 3.631 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.454 -4.345 8.431 1.00 0.00 N ATOM 1045 CA ASN A 67 -10.422 -5.113 9.685 1.00 0.00 C ATOM 1046 C ASN A 67 -10.184 -6.604 9.398 1.00 0.00 C ATOM 1047 O ASN A 67 -9.119 -7.136 9.730 1.00 0.00 O ATOM 1048 CB ASN A 67 -11.726 -4.913 10.504 1.00 0.00 C ATOM 1049 CG ASN A 67 -11.929 -3.467 10.964 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -11.381 -3.050 11.987 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -12.735 -2.702 10.241 1.00 0.00 N ATOM 0 H ASN A 67 -11.379 -3.994 8.183 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.593 -4.739 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.579 -5.219 9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.704 -5.566 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.916 -1.740 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.174 -3.076 9.399 1.00 0.00 H new ATOM 1058 N ASP A 68 -11.162 -7.255 8.734 1.00 0.00 N ATOM 1059 CA ASP A 68 -11.156 -8.720 8.522 1.00 0.00 C ATOM 1060 C ASP A 68 -10.050 -9.140 7.528 1.00 0.00 C ATOM 1061 O ASP A 68 -9.338 -10.123 7.768 1.00 0.00 O ATOM 1062 CB ASP A 68 -12.544 -9.198 8.016 1.00 0.00 C ATOM 1063 CG ASP A 68 -12.704 -10.732 8.042 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -12.288 -11.408 7.076 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -13.243 -11.266 9.037 1.00 0.00 O ATOM 0 H ASP A 68 -11.973 -6.785 8.332 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.945 -9.195 9.480 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.323 -8.747 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.695 -8.840 6.997 1.00 0.00 H new ATOM 1070 N ALA A 69 -9.938 -8.373 6.424 1.00 0.00 N ATOM 1071 CA ALA A 69 -8.946 -8.607 5.349 1.00 0.00 C ATOM 1072 C ALA A 69 -7.527 -8.664 5.931 1.00 0.00 C ATOM 1073 O ALA A 69 -7.091 -7.713 6.563 1.00 0.00 O ATOM 1074 CB ALA A 69 -9.052 -7.505 4.285 1.00 0.00 C ATOM 0 H ALA A 69 -10.538 -7.566 6.250 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.159 -9.567 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.319 -7.686 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.053 -7.510 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.859 -6.536 4.745 1.00 0.00 H new ATOM 1080 N ASN A 70 -6.836 -9.795 5.716 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.563 -10.125 6.400 1.00 0.00 C ATOM 1082 C ASN A 70 -4.342 -9.710 5.546 1.00 0.00 C ATOM 1083 O ASN A 70 -4.446 -9.635 4.316 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.556 -11.653 6.695 1.00 0.00 C ATOM 1085 CG ASN A 70 -4.403 -12.132 7.577 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -3.877 -11.379 8.395 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -4.022 -13.397 7.431 1.00 0.00 N ATOM 0 H ASN A 70 -7.142 -10.514 5.060 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.489 -9.568 7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.497 -11.920 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.518 -12.191 5.748 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.270 -13.773 8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.482 -13.992 6.742 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.180 -9.458 6.205 1.00 0.00 N ATOM 1095 CA TRP A 71 -1.921 -9.072 5.513 1.00 0.00 C ATOM 1096 C TRP A 71 -1.406 -10.176 4.568 1.00 0.00 C ATOM 1097 O TRP A 71 -0.623 -9.891 3.674 1.00 0.00 O ATOM 1098 CB TRP A 71 -0.802 -8.686 6.525 1.00 0.00 C ATOM 1099 CG TRP A 71 -1.034 -7.363 7.229 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -1.342 -7.161 8.548 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -0.972 -6.049 6.632 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -1.493 -5.816 8.796 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -1.271 -5.117 7.644 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -0.706 -5.576 5.343 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -1.302 -3.746 7.412 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -0.737 -4.213 5.113 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -1.040 -3.312 6.140 1.00 0.00 C ATOM 0 H TRP A 71 -3.089 -9.516 7.219 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.169 -8.198 4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.716 -9.474 7.274 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.151 -8.643 5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.450 -7.943 9.285 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -1.733 -5.406 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.480 -6.263 4.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.525 -3.049 8.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.524 -3.837 4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.068 -2.254 5.925 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.844 -11.427 4.766 1.00 0.00 N ATOM 1119 CA GLU A 72 -1.464 -12.553 3.884 1.00 0.00 C ATOM 1120 C GLU A 72 -2.125 -12.423 2.488 1.00 0.00 C ATOM 1121 O GLU A 72 -1.697 -13.074 1.527 1.00 0.00 O ATOM 1122 CB GLU A 72 -1.803 -13.902 4.558 1.00 0.00 C ATOM 1123 CG GLU A 72 -1.228 -14.062 5.985 1.00 0.00 C ATOM 1124 CD GLU A 72 0.299 -13.878 6.070 1.00 0.00 C ATOM 1125 OE1 GLU A 72 1.042 -14.868 5.888 1.00 0.00 O ATOM 1126 OE2 GLU A 72 0.764 -12.752 6.339 1.00 0.00 O ATOM 0 H GLU A 72 -2.465 -11.691 5.531 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.386 -12.519 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.887 -14.011 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.426 -14.712 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.708 -13.337 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.486 -15.052 6.360 1.00 0.00 H new ATOM 1133 N THR A 73 -3.198 -11.616 2.402 1.00 0.00 N ATOM 1134 CA THR A 73 -3.813 -11.214 1.120 1.00 0.00 C ATOM 1135 C THR A 73 -3.259 -9.844 0.660 1.00 0.00 C ATOM 1136 O THR A 73 -2.840 -9.686 -0.485 1.00 0.00 O ATOM 1137 CB THR A 73 -5.373 -11.153 1.262 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.850 -12.428 1.726 1.00 0.00 O ATOM 1139 CG2 THR A 73 -6.077 -10.801 -0.069 1.00 0.00 C ATOM 0 H THR A 73 -3.665 -11.223 3.219 1.00 0.00 H new ATOM 0 HA THR A 73 -3.561 -11.959 0.365 1.00 0.00 H new ATOM 0 HB THR A 73 -5.609 -10.362 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.825 -12.398 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.155 -10.772 0.086 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.734 -9.826 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.838 -11.556 -0.818 1.00 0.00 H new ATOM 1147 N VAL A 74 -3.225 -8.882 1.597 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.905 -7.461 1.314 1.00 0.00 C ATOM 1149 C VAL A 74 -1.411 -7.254 0.945 1.00 0.00 C ATOM 1150 O VAL A 74 -1.095 -6.809 -0.169 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.292 -6.550 2.550 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -2.944 -5.056 2.310 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.791 -6.704 2.912 1.00 0.00 C ATOM 0 H VAL A 74 -3.419 -9.064 2.582 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.498 -7.167 0.448 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.693 -6.895 3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.228 -4.471 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.872 -4.955 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.487 -4.691 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.027 -6.067 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.403 -6.411 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.999 -7.743 3.168 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.522 -7.621 1.886 1.00 0.00 N ATOM 1164 CA LEU A 75 0.937 -7.349 1.811 1.00 0.00 C ATOM 1165 C LEU A 75 1.601 -7.931 0.513 1.00 0.00 C ATOM 1166 O LEU A 75 2.309 -7.174 -0.161 1.00 0.00 O ATOM 1167 CB LEU A 75 1.642 -7.862 3.122 1.00 0.00 C ATOM 1168 CG LEU A 75 3.100 -7.357 3.455 1.00 0.00 C ATOM 1169 CD1 LEU A 75 3.453 -7.616 4.948 1.00 0.00 C ATOM 1170 CD2 LEU A 75 4.181 -7.995 2.539 1.00 0.00 C ATOM 0 H LEU A 75 -0.793 -8.121 2.733 1.00 0.00 H new ATOM 0 HA LEU A 75 1.073 -6.270 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.002 -7.599 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.674 -8.950 3.074 1.00 0.00 H new ATOM 0 HG LEU A 75 3.101 -6.284 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.463 -7.259 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.746 -7.086 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.398 -8.685 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.163 -7.611 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.168 -9.078 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.971 -7.744 1.499 1.00 0.00 H new ATOM 1182 N PRO A 76 1.405 -9.260 0.121 1.00 0.00 N ATOM 1183 CA PRO A 76 2.073 -9.848 -1.081 1.00 0.00 C ATOM 1184 C PRO A 76 1.724 -9.104 -2.385 1.00 0.00 C ATOM 1185 O PRO A 76 2.546 -9.036 -3.288 1.00 0.00 O ATOM 1186 CB PRO A 76 1.564 -11.319 -1.122 1.00 0.00 C ATOM 1187 CG PRO A 76 0.305 -11.294 -0.324 1.00 0.00 C ATOM 1188 CD PRO A 76 0.558 -10.294 0.780 1.00 0.00 C ATOM 0 HA PRO A 76 3.158 -9.773 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.381 -11.648 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.294 -12.005 -0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.545 -10.997 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.076 -12.279 0.082 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.372 -9.870 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.069 -10.751 1.627 1.00 0.00 H new ATOM 1196 N LYS A 77 0.502 -8.544 -2.450 1.00 0.00 N ATOM 1197 CA LYS A 77 0.003 -7.798 -3.627 1.00 0.00 C ATOM 1198 C LYS A 77 0.702 -6.437 -3.760 1.00 0.00 C ATOM 1199 O LYS A 77 1.066 -6.026 -4.869 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.533 -7.631 -3.527 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.301 -8.964 -3.643 1.00 0.00 C ATOM 1202 CD LYS A 77 -3.817 -8.799 -3.426 1.00 0.00 C ATOM 1203 CE LYS A 77 -4.618 -10.052 -3.782 1.00 0.00 C ATOM 1204 NZ LYS A 77 -4.500 -10.381 -5.227 1.00 0.00 N ATOM 0 H LYS A 77 -0.172 -8.595 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 77 0.235 -8.368 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.779 -7.160 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.870 -6.956 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.124 -9.396 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.908 -9.670 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.002 -8.542 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.175 -7.964 -4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.264 -10.893 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.667 -9.900 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.249 -11.052 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.598 -9.512 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.570 -10.809 -5.411 1.00 0.00 H new ATOM 1218 N VAL A 78 0.894 -5.760 -2.616 1.00 0.00 N ATOM 1219 CA VAL A 78 1.617 -4.473 -2.550 1.00 0.00 C ATOM 1220 C VAL A 78 3.090 -4.697 -2.952 1.00 0.00 C ATOM 1221 O VAL A 78 3.628 -4.006 -3.823 1.00 0.00 O ATOM 1222 CB VAL A 78 1.535 -3.838 -1.103 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.253 -2.464 -1.034 1.00 0.00 C ATOM 1224 CG2 VAL A 78 0.065 -3.715 -0.628 1.00 0.00 C ATOM 0 H VAL A 78 0.554 -6.086 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 78 1.147 -3.774 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 78 2.056 -4.515 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.173 -2.062 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.304 -2.589 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.786 -1.774 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.040 -3.276 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.489 -3.079 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.392 -4.704 -0.600 1.00 0.00 H new ATOM 1234 N GLU A 79 3.691 -5.726 -2.340 1.00 0.00 N ATOM 1235 CA GLU A 79 5.087 -6.131 -2.584 1.00 0.00 C ATOM 1236 C GLU A 79 5.302 -6.537 -4.059 1.00 0.00 C ATOM 1237 O GLU A 79 6.345 -6.239 -4.643 1.00 0.00 O ATOM 1238 CB GLU A 79 5.448 -7.322 -1.660 1.00 0.00 C ATOM 1239 CG GLU A 79 6.907 -7.817 -1.757 1.00 0.00 C ATOM 1240 CD GLU A 79 7.146 -9.115 -0.967 1.00 0.00 C ATOM 1241 OE1 GLU A 79 7.350 -9.050 0.260 1.00 0.00 O ATOM 1242 OE2 GLU A 79 7.096 -10.212 -1.568 1.00 0.00 O ATOM 0 H GLU A 79 3.217 -6.310 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 79 5.733 -5.281 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.248 -7.033 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.784 -8.154 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.162 -7.981 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.575 -7.041 -1.384 1.00 0.00 H new ATOM 1249 N ALA A 80 4.293 -7.219 -4.631 1.00 0.00 N ATOM 1250 CA ALA A 80 4.310 -7.712 -6.026 1.00 0.00 C ATOM 1251 C ALA A 80 4.369 -6.560 -7.038 1.00 0.00 C ATOM 1252 O ALA A 80 4.850 -6.737 -8.147 1.00 0.00 O ATOM 1253 CB ALA A 80 3.096 -8.610 -6.298 1.00 0.00 C ATOM 0 H ALA A 80 3.432 -7.447 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 80 5.217 -8.304 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.127 -8.962 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.117 -9.465 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.180 -8.042 -6.136 1.00 0.00 H new ATOM 1259 N VAL A 81 3.816 -5.404 -6.665 1.00 0.00 N ATOM 1260 CA VAL A 81 3.847 -4.197 -7.511 1.00 0.00 C ATOM 1261 C VAL A 81 5.279 -3.645 -7.632 1.00 0.00 C ATOM 1262 O VAL A 81 5.688 -3.168 -8.703 1.00 0.00 O ATOM 1263 CB VAL A 81 2.853 -3.128 -6.943 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.075 -1.724 -7.550 1.00 0.00 C ATOM 1265 CG2 VAL A 81 1.399 -3.611 -7.153 1.00 0.00 C ATOM 0 H VAL A 81 3.336 -5.273 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 81 3.524 -4.458 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 81 3.047 -3.024 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.358 -1.024 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.088 -1.388 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.935 -1.768 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.708 -2.867 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.212 -3.750 -8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.251 -4.557 -6.632 1.00 0.00 H new ATOM 1275 N PHE A 82 6.021 -3.685 -6.523 1.00 0.00 N ATOM 1276 CA PHE A 82 7.460 -3.360 -6.521 1.00 0.00 C ATOM 1277 C PHE A 82 8.288 -4.456 -7.227 1.00 0.00 C ATOM 1278 O PHE A 82 9.205 -4.152 -8.003 1.00 0.00 O ATOM 1279 CB PHE A 82 7.937 -3.154 -5.068 1.00 0.00 C ATOM 1280 CG PHE A 82 7.035 -2.202 -4.290 1.00 0.00 C ATOM 1281 CD1 PHE A 82 6.722 -0.937 -4.797 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.462 -2.580 -3.083 1.00 0.00 C ATOM 1283 CE1 PHE A 82 5.876 -0.090 -4.117 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.610 -1.735 -2.410 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.317 -0.493 -2.924 1.00 0.00 C ATOM 0 H PHE A 82 5.652 -3.940 -5.607 1.00 0.00 H new ATOM 0 HA PHE A 82 7.611 -2.437 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 82 7.969 -4.117 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.954 -2.763 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.150 -0.620 -5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.688 -3.551 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.651 0.887 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.170 -2.048 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.648 0.167 -2.392 1.00 0.00 H new ATOM 1295 N GLU A 83 7.930 -5.726 -6.981 1.00 0.00 N ATOM 1296 CA GLU A 83 8.646 -6.896 -7.511 1.00 0.00 C ATOM 1297 C GLU A 83 7.690 -7.628 -8.468 1.00 0.00 C ATOM 1298 O GLU A 83 7.037 -8.611 -8.092 1.00 0.00 O ATOM 1299 CB GLU A 83 9.120 -7.816 -6.336 1.00 0.00 C ATOM 1300 CG GLU A 83 10.363 -8.691 -6.620 1.00 0.00 C ATOM 1301 CD GLU A 83 10.222 -9.646 -7.822 1.00 0.00 C ATOM 1302 OE1 GLU A 83 9.654 -10.751 -7.669 1.00 0.00 O ATOM 1303 OE2 GLU A 83 10.682 -9.288 -8.931 1.00 0.00 O ATOM 0 H GLU A 83 7.127 -5.972 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 83 9.543 -6.598 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.333 -7.187 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.295 -8.471 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.218 -8.037 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.586 -9.280 -5.730 1.00 0.00 H new ATOM 1310 N LEU A 84 7.573 -7.092 -9.688 1.00 0.00 N ATOM 1311 CA LEU A 84 6.672 -7.603 -10.752 1.00 0.00 C ATOM 1312 C LEU A 84 7.278 -8.825 -11.482 1.00 0.00 C ATOM 1313 O LEU A 84 7.138 -8.930 -12.711 1.00 0.00 O ATOM 1314 CB LEU A 84 6.409 -6.446 -11.767 1.00 0.00 C ATOM 1315 CG LEU A 84 5.552 -5.251 -11.245 1.00 0.00 C ATOM 1316 CD1 LEU A 84 5.639 -4.034 -12.191 1.00 0.00 C ATOM 1317 CD2 LEU A 84 4.080 -5.669 -11.040 1.00 0.00 C ATOM 0 H LEU A 84 8.109 -6.274 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 84 5.739 -7.935 -10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.371 -6.057 -12.100 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.914 -6.865 -12.643 1.00 0.00 H new ATOM 0 HG LEU A 84 5.964 -4.957 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.030 -3.221 -11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.676 -3.706 -12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.273 -4.314 -13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.507 -4.816 -10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.663 -6.008 -11.988 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.030 -6.478 -10.311 1.00 0.00 H new