USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= -0.274 K(o=-0.27,f=-3.1!) USER MOD Set 1.2: A 67 ASN : amide:sc= 0 X(o=-0.27,f=-0.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 7 SER OG : rot 120:sc= 0.464 USER MOD Single : A 12 HIS : no HD1:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 142:sc= -4.38! (180deg=-8.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 78:sc= -0.107 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 22 SER OG : rot -82:sc= 0.372 USER MOD Single : A 26 MET CE :methyl 146:sc= -0.0595 (180deg=-1.03) USER MOD Single : A 27 THR OG1 : rot 102:sc= 0.259 USER MOD Single : A 28 SER OG : rot 42:sc= 0.171 USER MOD Single : A 30 THR OG1 : rot -32:sc= 0.0787 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00616 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.21 X(o=-2.2,f=-1.9) USER MOD Single : A 43 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.84) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-1.45!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.202 USER MOD Single : A 56 HIS : no HD1:sc= -0.563 K(o=-0.56,f=-5.8!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -6:sc= 0.36 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0.879 (180deg=0.631) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.525 1.003 -5.105 1.00 0.00 N ATOM 2 CA MET A 1 13.149 1.211 -4.616 1.00 0.00 C ATOM 3 C MET A 1 12.416 -0.141 -4.478 1.00 0.00 C ATOM 4 O MET A 1 12.064 -0.782 -5.475 1.00 0.00 O ATOM 5 CB MET A 1 12.383 2.190 -5.550 1.00 0.00 C ATOM 6 CG MET A 1 10.957 2.527 -5.091 1.00 0.00 C ATOM 7 SD MET A 1 10.125 3.679 -6.207 1.00 0.00 S ATOM 8 CE MET A 1 8.508 3.830 -5.443 1.00 0.00 C ATOM 0 H1 MET A 1 15.005 1.922 -5.193 1.00 0.00 H new ATOM 0 H2 MET A 1 15.045 0.403 -4.433 1.00 0.00 H new ATOM 0 H3 MET A 1 14.496 0.537 -6.035 1.00 0.00 H new ATOM 0 HA MET A 1 13.190 1.665 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.953 3.116 -5.630 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.336 1.757 -6.549 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.374 1.608 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.993 2.958 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.891 4.512 -6.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.031 2.851 -5.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.619 4.219 -4.431 1.00 0.00 H new ATOM 20 N LYS A 2 12.233 -0.578 -3.217 1.00 0.00 N ATOM 21 CA LYS A 2 11.435 -1.771 -2.858 1.00 0.00 C ATOM 22 C LYS A 2 10.726 -1.514 -1.515 1.00 0.00 C ATOM 23 O LYS A 2 10.718 -0.385 -1.026 1.00 0.00 O ATOM 24 CB LYS A 2 12.333 -3.047 -2.746 1.00 0.00 C ATOM 25 CG LYS A 2 13.402 -2.996 -1.615 1.00 0.00 C ATOM 26 CD LYS A 2 13.992 -4.390 -1.266 1.00 0.00 C ATOM 27 CE LYS A 2 14.887 -4.354 -0.011 1.00 0.00 C ATOM 28 NZ LYS A 2 15.336 -5.714 0.403 1.00 0.00 N ATOM 0 H LYS A 2 12.639 -0.108 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 2 10.702 -1.948 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.691 -3.912 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.839 -3.202 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.211 -2.332 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.954 -2.564 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.177 -5.097 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.573 -4.758 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.759 -3.730 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.340 -3.889 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.935 -5.639 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.506 -6.304 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.881 -6.149 -0.368 1.00 0.00 H new ATOM 42 N ILE A 3 10.106 -2.557 -0.931 1.00 0.00 N ATOM 43 CA ILE A 3 9.714 -2.538 0.489 1.00 0.00 C ATOM 44 C ILE A 3 10.970 -2.809 1.342 1.00 0.00 C ATOM 45 O ILE A 3 11.573 -3.882 1.233 1.00 0.00 O ATOM 46 CB ILE A 3 8.610 -3.607 0.834 1.00 0.00 C ATOM 47 CG1 ILE A 3 7.311 -3.363 0.001 1.00 0.00 C ATOM 48 CG2 ILE A 3 8.315 -3.618 2.356 1.00 0.00 C ATOM 49 CD1 ILE A 3 6.171 -4.335 0.273 1.00 0.00 C ATOM 0 H ILE A 3 9.867 -3.420 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 3 9.286 -1.559 0.705 1.00 0.00 H new ATOM 0 HB ILE A 3 8.991 -4.591 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.958 -2.351 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.564 -3.412 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.550 -4.363 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.226 -3.864 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.961 -2.634 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.317 -4.079 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.497 -5.350 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.882 -4.272 1.322 1.00 0.00 H new ATOM 61 N ILE A 4 11.373 -1.831 2.167 1.00 0.00 N ATOM 62 CA ILE A 4 12.523 -1.982 3.080 1.00 0.00 C ATOM 63 C ILE A 4 12.040 -2.692 4.355 1.00 0.00 C ATOM 64 O ILE A 4 12.599 -3.726 4.742 1.00 0.00 O ATOM 65 CB ILE A 4 13.204 -0.587 3.420 1.00 0.00 C ATOM 66 CG1 ILE A 4 14.037 -0.036 2.212 1.00 0.00 C ATOM 67 CG2 ILE A 4 14.104 -0.659 4.688 1.00 0.00 C ATOM 68 CD1 ILE A 4 13.279 0.198 0.910 1.00 0.00 C ATOM 0 H ILE A 4 10.918 -0.920 2.223 1.00 0.00 H new ATOM 0 HA ILE A 4 13.291 -2.580 2.589 1.00 0.00 H new ATOM 0 HB ILE A 4 12.384 0.102 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.493 0.907 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 4 14.850 -0.734 2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 4 14.546 0.320 4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.501 -0.957 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 4 14.897 -1.390 4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 4 13.965 0.579 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.846 -0.742 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.484 0.924 1.077 1.00 0.00 H new ATOM 80 N SER A 5 10.971 -2.152 4.970 1.00 0.00 N ATOM 81 CA SER A 5 10.410 -2.702 6.217 1.00 0.00 C ATOM 82 C SER A 5 8.950 -2.244 6.412 1.00 0.00 C ATOM 83 O SER A 5 8.669 -1.040 6.407 1.00 0.00 O ATOM 84 CB SER A 5 11.277 -2.266 7.430 1.00 0.00 C ATOM 85 OG SER A 5 10.806 -2.835 8.641 1.00 0.00 O ATOM 0 H SER A 5 10.477 -1.331 4.621 1.00 0.00 H new ATOM 0 HA SER A 5 10.419 -3.790 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.312 -2.566 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.270 -1.179 7.511 1.00 0.00 H new ATOM 0 HG SER A 5 11.375 -2.542 9.383 1.00 0.00 H new ATOM 91 N ILE A 6 8.027 -3.215 6.576 1.00 0.00 N ATOM 92 CA ILE A 6 6.621 -2.943 6.920 1.00 0.00 C ATOM 93 C ILE A 6 6.455 -2.981 8.453 1.00 0.00 C ATOM 94 O ILE A 6 6.263 -4.063 9.036 1.00 0.00 O ATOM 95 CB ILE A 6 5.636 -3.962 6.215 1.00 0.00 C ATOM 96 CG1 ILE A 6 5.662 -3.755 4.670 1.00 0.00 C ATOM 97 CG2 ILE A 6 4.197 -3.851 6.768 1.00 0.00 C ATOM 98 CD1 ILE A 6 4.748 -4.664 3.865 1.00 0.00 C ATOM 0 H ILE A 6 8.238 -4.208 6.473 1.00 0.00 H new ATOM 0 HA ILE A 6 6.359 -1.950 6.554 1.00 0.00 H new ATOM 0 HB ILE A 6 5.983 -4.971 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.394 -2.720 4.457 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.685 -3.898 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.554 -4.568 6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.200 -4.065 7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.820 -2.842 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.847 -4.433 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.026 -5.704 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.715 -4.508 4.175 1.00 0.00 H new ATOM 110 N SER A 7 6.624 -1.798 9.093 1.00 0.00 N ATOM 111 CA SER A 7 6.322 -1.582 10.533 1.00 0.00 C ATOM 112 C SER A 7 7.084 -2.572 11.456 1.00 0.00 C ATOM 113 O SER A 7 8.107 -3.146 11.049 1.00 0.00 O ATOM 114 CB SER A 7 4.792 -1.684 10.738 1.00 0.00 C ATOM 115 OG SER A 7 4.096 -0.853 9.827 1.00 0.00 O ATOM 0 H SER A 7 6.975 -0.963 8.625 1.00 0.00 H new ATOM 0 HA SER A 7 6.668 -0.588 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.473 -2.718 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.540 -1.399 11.759 1.00 0.00 H new ATOM 0 HG SER A 7 3.504 -1.401 9.271 1.00 0.00 H new ATOM 178 N HIS A 12 -1.867 -5.131 11.046 1.00 0.00 N ATOM 179 CA HIS A 12 -2.252 -3.957 11.843 1.00 0.00 C ATOM 180 C HIS A 12 -3.351 -3.232 11.032 1.00 0.00 C ATOM 181 O HIS A 12 -3.598 -3.612 9.890 1.00 0.00 O ATOM 182 CB HIS A 12 -1.002 -3.061 12.079 1.00 0.00 C ATOM 183 CG HIS A 12 -1.154 -1.985 13.124 1.00 0.00 C ATOM 184 ND1 HIS A 12 -0.801 -2.172 14.446 1.00 0.00 N ATOM 185 CD2 HIS A 12 -1.578 -0.699 13.036 1.00 0.00 C ATOM 186 CE1 HIS A 12 -1.001 -1.056 15.114 1.00 0.00 C ATOM 187 NE2 HIS A 12 -1.472 -0.151 14.283 1.00 0.00 N ATOM 0 HA HIS A 12 -2.634 -4.222 12.829 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.167 -3.702 12.363 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.734 -2.588 11.134 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.933 -0.201 12.146 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.811 -0.908 16.167 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.719 0.807 14.530 1.00 0.00 H new ATOM 196 N ASN A 13 -4.035 -2.215 11.585 1.00 0.00 N ATOM 197 CA ASN A 13 -5.090 -1.488 10.824 1.00 0.00 C ATOM 198 C ASN A 13 -4.479 -0.589 9.731 1.00 0.00 C ATOM 199 O ASN A 13 -5.157 -0.247 8.765 1.00 0.00 O ATOM 200 CB ASN A 13 -6.011 -0.671 11.750 1.00 0.00 C ATOM 201 CG ASN A 13 -6.685 -1.514 12.847 1.00 0.00 C ATOM 202 OD1 ASN A 13 -6.071 -2.401 13.445 1.00 0.00 O ATOM 203 ND2 ASN A 13 -7.960 -1.264 13.102 1.00 0.00 N ATOM 0 H ASN A 13 -3.888 -1.876 12.536 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.703 -2.246 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.429 0.123 12.219 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.782 -0.189 11.149 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.456 -1.810 13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.446 -0.525 12.594 1.00 0.00 H new ATOM 210 N THR A 14 -3.201 -0.225 9.906 1.00 0.00 N ATOM 211 CA THR A 14 -2.388 0.468 8.887 1.00 0.00 C ATOM 212 C THR A 14 -0.959 -0.102 8.903 1.00 0.00 C ATOM 213 O THR A 14 -0.567 -0.763 9.870 1.00 0.00 O ATOM 214 CB THR A 14 -2.372 2.025 9.109 1.00 0.00 C ATOM 215 OG1 THR A 14 -1.674 2.685 8.036 1.00 0.00 O ATOM 216 CG2 THR A 14 -1.736 2.426 10.449 1.00 0.00 C ATOM 0 H THR A 14 -2.692 -0.405 10.771 1.00 0.00 H new ATOM 0 HA THR A 14 -2.839 0.294 7.910 1.00 0.00 H new ATOM 0 HB THR A 14 -3.415 2.343 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.676 3.653 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.752 3.511 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.299 1.978 11.268 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.705 2.074 10.482 1.00 0.00 H new ATOM 224 N MET A 15 -0.190 0.136 7.831 1.00 0.00 N ATOM 225 CA MET A 15 1.201 -0.332 7.724 1.00 0.00 C ATOM 226 C MET A 15 2.107 0.768 7.158 1.00 0.00 C ATOM 227 O MET A 15 1.840 1.333 6.100 1.00 0.00 O ATOM 228 CB MET A 15 1.303 -1.599 6.842 1.00 0.00 C ATOM 229 CG MET A 15 0.769 -1.438 5.413 1.00 0.00 C ATOM 230 SD MET A 15 1.243 -2.783 4.307 1.00 0.00 S ATOM 231 CE MET A 15 0.973 -4.206 5.347 1.00 0.00 C ATOM 0 H MET A 15 -0.513 0.657 7.015 1.00 0.00 H new ATOM 0 HA MET A 15 1.536 -0.583 8.730 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.348 -1.905 6.791 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.757 -2.407 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.319 -1.372 5.446 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.133 -0.496 5.002 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.563 -5.021 4.750 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.919 -4.519 5.788 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.271 -3.949 6.140 1.00 0.00 H new ATOM 241 N LYS A 16 3.166 1.067 7.897 1.00 0.00 N ATOM 242 CA LYS A 16 4.256 1.939 7.452 1.00 0.00 C ATOM 243 C LYS A 16 5.220 1.134 6.546 1.00 0.00 C ATOM 244 O LYS A 16 6.117 0.433 7.041 1.00 0.00 O ATOM 245 CB LYS A 16 4.997 2.545 8.684 1.00 0.00 C ATOM 246 CG LYS A 16 6.223 3.421 8.326 1.00 0.00 C ATOM 247 CD LYS A 16 6.928 4.042 9.555 1.00 0.00 C ATOM 248 CE LYS A 16 8.189 4.838 9.171 1.00 0.00 C ATOM 249 NZ LYS A 16 8.888 5.381 10.367 1.00 0.00 N ATOM 0 H LYS A 16 3.299 0.706 8.842 1.00 0.00 H new ATOM 0 HA LYS A 16 3.852 2.769 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.291 3.146 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.324 1.732 9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.942 2.815 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.903 4.222 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.232 4.699 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.201 3.250 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.869 4.194 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.913 5.658 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.731 5.910 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.248 6.016 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.175 4.597 10.987 1.00 0.00 H new ATOM 263 N ILE A 17 4.971 1.181 5.222 1.00 0.00 N ATOM 264 CA ILE A 17 5.874 0.600 4.210 1.00 0.00 C ATOM 265 C ILE A 17 7.021 1.592 3.986 1.00 0.00 C ATOM 266 O ILE A 17 6.889 2.556 3.228 1.00 0.00 O ATOM 267 CB ILE A 17 5.119 0.302 2.855 1.00 0.00 C ATOM 268 CG1 ILE A 17 3.921 -0.665 3.106 1.00 0.00 C ATOM 269 CG2 ILE A 17 6.080 -0.263 1.776 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.054 -0.945 1.886 1.00 0.00 C ATOM 0 H ILE A 17 4.141 1.621 4.826 1.00 0.00 H new ATOM 0 HA ILE A 17 6.257 -0.356 4.567 1.00 0.00 H new ATOM 0 HB ILE A 17 4.729 1.245 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.310 -1.611 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.292 -0.245 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.524 -0.455 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.870 0.462 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.523 -1.193 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.249 -1.627 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.629 -0.011 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.662 -1.399 1.104 1.00 0.00 H new ATOM 282 N THR A 18 8.126 1.365 4.689 1.00 0.00 N ATOM 283 CA THR A 18 9.244 2.315 4.743 1.00 0.00 C ATOM 284 C THR A 18 10.161 2.143 3.511 1.00 0.00 C ATOM 285 O THR A 18 10.373 1.014 3.044 1.00 0.00 O ATOM 286 CB THR A 18 10.051 2.132 6.068 1.00 0.00 C ATOM 287 OG1 THR A 18 9.142 1.976 7.181 1.00 0.00 O ATOM 288 CG2 THR A 18 10.960 3.335 6.356 1.00 0.00 C ATOM 0 H THR A 18 8.277 0.519 5.239 1.00 0.00 H new ATOM 0 HA THR A 18 8.841 3.328 4.727 1.00 0.00 H new ATOM 0 HB THR A 18 10.671 1.244 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.789 1.062 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.503 3.166 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.670 3.458 5.539 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.353 4.236 6.448 1.00 0.00 H new ATOM 296 N LEU A 19 10.659 3.275 2.977 1.00 0.00 N ATOM 297 CA LEU A 19 11.577 3.312 1.821 1.00 0.00 C ATOM 298 C LEU A 19 12.969 3.796 2.267 1.00 0.00 C ATOM 299 O LEU A 19 13.115 4.428 3.321 1.00 0.00 O ATOM 300 CB LEU A 19 11.022 4.234 0.690 1.00 0.00 C ATOM 301 CG LEU A 19 9.586 3.900 0.155 1.00 0.00 C ATOM 302 CD1 LEU A 19 9.129 4.906 -0.933 1.00 0.00 C ATOM 303 CD2 LEU A 19 9.488 2.441 -0.352 1.00 0.00 C ATOM 0 H LEU A 19 10.433 4.201 3.340 1.00 0.00 H new ATOM 0 HA LEU A 19 11.661 2.301 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.019 5.260 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.716 4.198 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 19 8.903 3.999 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.130 4.640 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.113 5.912 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.823 4.874 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.478 2.249 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.200 2.289 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.717 1.756 0.464 1.00 0.00 H new ATOM 315 N SER A 20 13.979 3.501 1.432 1.00 0.00 N ATOM 316 CA SER A 20 15.396 3.807 1.704 1.00 0.00 C ATOM 317 C SER A 20 15.713 5.302 1.490 1.00 0.00 C ATOM 318 O SER A 20 16.754 5.791 1.948 1.00 0.00 O ATOM 319 CB SER A 20 16.283 2.921 0.797 1.00 0.00 C ATOM 320 OG SER A 20 15.881 3.017 -0.562 1.00 0.00 O ATOM 0 H SER A 20 13.833 3.036 0.536 1.00 0.00 H new ATOM 0 HA SER A 20 15.606 3.590 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.325 3.225 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.222 1.883 1.125 1.00 0.00 H new ATOM 0 HG SER A 20 16.458 2.449 -1.115 1.00 0.00 H new ATOM 326 N GLU A 21 14.806 6.019 0.797 1.00 0.00 N ATOM 327 CA GLU A 21 14.986 7.439 0.453 1.00 0.00 C ATOM 328 C GLU A 21 14.463 8.340 1.602 1.00 0.00 C ATOM 329 O GLU A 21 13.522 9.138 1.440 1.00 0.00 O ATOM 330 CB GLU A 21 14.281 7.739 -0.903 1.00 0.00 C ATOM 331 CG GLU A 21 14.619 9.118 -1.525 1.00 0.00 C ATOM 332 CD GLU A 21 13.807 9.431 -2.795 1.00 0.00 C ATOM 333 OE1 GLU A 21 14.014 8.755 -3.825 1.00 0.00 O ATOM 334 OE2 GLU A 21 12.967 10.358 -2.775 1.00 0.00 O ATOM 0 H GLU A 21 13.927 5.626 0.460 1.00 0.00 H new ATOM 0 HA GLU A 21 16.046 7.661 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.550 6.960 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.203 7.678 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.436 9.897 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.682 9.149 -1.765 1.00 0.00 H new ATOM 341 N SER A 22 15.088 8.192 2.778 1.00 0.00 N ATOM 342 CA SER A 22 14.733 8.953 3.983 1.00 0.00 C ATOM 343 C SER A 22 15.559 10.259 4.039 1.00 0.00 C ATOM 344 O SER A 22 16.409 10.443 4.925 1.00 0.00 O ATOM 345 CB SER A 22 14.985 8.061 5.222 1.00 0.00 C ATOM 346 OG SER A 22 14.389 6.778 5.076 1.00 0.00 O ATOM 0 H SER A 22 15.858 7.538 2.920 1.00 0.00 H new ATOM 0 HA SER A 22 13.680 9.233 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.058 7.948 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.584 8.550 6.110 1.00 0.00 H new ATOM 0 HG SER A 22 13.441 6.829 5.317 1.00 0.00 H new ATOM 352 N ARG A 23 15.296 11.165 3.076 1.00 0.00 N ATOM 353 CA ARG A 23 16.055 12.419 2.926 1.00 0.00 C ATOM 354 C ARG A 23 15.183 13.478 2.234 1.00 0.00 C ATOM 355 O ARG A 23 14.937 14.550 2.791 1.00 0.00 O ATOM 356 CB ARG A 23 17.366 12.185 2.108 1.00 0.00 C ATOM 357 CG ARG A 23 18.398 13.332 2.222 1.00 0.00 C ATOM 358 CD ARG A 23 19.612 13.175 1.282 1.00 0.00 C ATOM 359 NE ARG A 23 19.264 13.487 -0.119 1.00 0.00 N ATOM 360 CZ ARG A 23 20.104 14.018 -1.038 1.00 0.00 C ATOM 361 NH1 ARG A 23 21.363 14.308 -0.736 1.00 0.00 N ATOM 362 NH2 ARG A 23 19.652 14.286 -2.251 1.00 0.00 N ATOM 0 H ARG A 23 14.555 11.048 2.385 1.00 0.00 H new ATOM 0 HA ARG A 23 16.333 12.774 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 23 17.831 11.258 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 23 17.106 12.048 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 23 17.902 14.278 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 23 18.752 13.388 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 23 20.415 13.834 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 23 19.990 12.155 1.344 1.00 0.00 H new ATOM 0 HE ARG A 23 18.310 13.285 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 23 21.716 14.131 0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 23 21.978 14.708 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.679 14.093 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.277 14.686 -2.951 1.00 0.00 H new ATOM 376 N GLU A 24 14.680 13.129 1.028 1.00 0.00 N ATOM 377 CA GLU A 24 13.995 14.081 0.114 1.00 0.00 C ATOM 378 C GLU A 24 12.665 14.624 0.675 1.00 0.00 C ATOM 379 O GLU A 24 12.188 15.663 0.206 1.00 0.00 O ATOM 380 CB GLU A 24 13.764 13.425 -1.276 1.00 0.00 C ATOM 381 CG GLU A 24 15.051 12.999 -2.015 1.00 0.00 C ATOM 382 CD GLU A 24 16.004 14.168 -2.327 1.00 0.00 C ATOM 383 OE1 GLU A 24 16.848 14.507 -1.469 1.00 0.00 O ATOM 384 OE2 GLU A 24 15.918 14.757 -3.425 1.00 0.00 O ATOM 0 H GLU A 24 14.736 12.180 0.658 1.00 0.00 H new ATOM 0 HA GLU A 24 14.660 14.939 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.129 12.548 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.216 14.126 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.580 12.263 -1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.777 12.507 -2.948 1.00 0.00 H new ATOM 391 N GLY A 25 12.078 13.914 1.661 1.00 0.00 N ATOM 392 CA GLY A 25 10.837 14.352 2.305 1.00 0.00 C ATOM 393 C GLY A 25 9.659 14.370 1.344 1.00 0.00 C ATOM 394 O GLY A 25 9.114 15.437 1.037 1.00 0.00 O ATOM 0 H GLY A 25 12.449 13.036 2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.611 13.689 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.979 15.350 2.720 1.00 0.00 H new ATOM 398 N MET A 26 9.323 13.168 0.843 1.00 0.00 N ATOM 399 CA MET A 26 8.221 12.918 -0.114 1.00 0.00 C ATOM 400 C MET A 26 6.891 13.583 0.315 1.00 0.00 C ATOM 401 O MET A 26 6.609 13.726 1.510 1.00 0.00 O ATOM 402 CB MET A 26 8.022 11.384 -0.289 1.00 0.00 C ATOM 403 CG MET A 26 9.260 10.628 -0.804 1.00 0.00 C ATOM 404 SD MET A 26 9.026 8.837 -0.808 1.00 0.00 S ATOM 405 CE MET A 26 10.569 8.271 -1.524 1.00 0.00 C ATOM 0 H MET A 26 9.823 12.316 1.098 1.00 0.00 H new ATOM 0 HA MET A 26 8.506 13.371 -1.064 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.726 10.958 0.670 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.197 11.215 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.491 10.963 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.119 10.877 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.850 7.318 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.446 8.144 -2.600 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.350 9.006 -1.332 1.00 0.00 H new ATOM 415 N THR A 27 6.084 13.958 -0.687 1.00 0.00 N ATOM 416 CA THR A 27 4.831 14.709 -0.499 1.00 0.00 C ATOM 417 C THR A 27 3.767 13.878 0.260 1.00 0.00 C ATOM 418 O THR A 27 3.753 12.647 0.168 1.00 0.00 O ATOM 419 CB THR A 27 4.272 15.174 -1.888 1.00 0.00 C ATOM 420 OG1 THR A 27 4.182 14.048 -2.784 1.00 0.00 O ATOM 421 CG2 THR A 27 5.157 16.257 -2.531 1.00 0.00 C ATOM 0 H THR A 27 6.284 13.746 -1.665 1.00 0.00 H new ATOM 0 HA THR A 27 5.056 15.583 0.112 1.00 0.00 H new ATOM 0 HB THR A 27 3.284 15.599 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.251 13.748 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.733 16.550 -3.491 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.204 17.126 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.162 15.863 -2.683 1.00 0.00 H new ATOM 429 N SER A 28 2.917 14.566 1.034 1.00 0.00 N ATOM 430 CA SER A 28 1.825 13.944 1.799 1.00 0.00 C ATOM 431 C SER A 28 0.547 13.869 0.939 1.00 0.00 C ATOM 432 O SER A 28 -0.097 14.895 0.689 1.00 0.00 O ATOM 433 CB SER A 28 1.598 14.753 3.099 1.00 0.00 C ATOM 434 OG SER A 28 1.469 16.147 2.834 1.00 0.00 O ATOM 0 H SER A 28 2.967 15.578 1.149 1.00 0.00 H new ATOM 0 HA SER A 28 2.091 12.922 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.700 14.393 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.432 14.587 3.781 1.00 0.00 H new ATOM 0 HG SER A 28 0.914 16.278 2.037 1.00 0.00 H new ATOM 440 N ASP A 29 0.207 12.656 0.449 1.00 0.00 N ATOM 441 CA ASP A 29 -0.959 12.430 -0.435 1.00 0.00 C ATOM 442 C ASP A 29 -1.706 11.153 -0.049 1.00 0.00 C ATOM 443 O ASP A 29 -1.086 10.121 0.233 1.00 0.00 O ATOM 444 CB ASP A 29 -0.542 12.343 -1.926 1.00 0.00 C ATOM 445 CG ASP A 29 -0.008 13.664 -2.489 1.00 0.00 C ATOM 446 OD1 ASP A 29 1.198 13.942 -2.342 1.00 0.00 O ATOM 447 OD2 ASP A 29 -0.794 14.436 -3.077 1.00 0.00 O ATOM 0 H ASP A 29 0.733 11.806 0.655 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.619 13.288 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.223 11.574 -2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.401 12.026 -2.517 1.00 0.00 H new ATOM 452 N THR A 30 -3.044 11.238 -0.065 1.00 0.00 N ATOM 453 CA THR A 30 -3.940 10.121 0.231 1.00 0.00 C ATOM 454 C THR A 30 -4.529 9.566 -1.088 1.00 0.00 C ATOM 455 O THR A 30 -5.449 10.141 -1.675 1.00 0.00 O ATOM 456 CB THR A 30 -5.073 10.572 1.210 1.00 0.00 C ATOM 457 OG1 THR A 30 -4.489 11.147 2.391 1.00 0.00 O ATOM 458 CG2 THR A 30 -5.982 9.407 1.627 1.00 0.00 C ATOM 0 H THR A 30 -3.538 12.102 -0.288 1.00 0.00 H new ATOM 0 HA THR A 30 -3.377 9.327 0.722 1.00 0.00 H new ATOM 0 HB THR A 30 -5.683 11.305 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.634 10.707 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.752 9.772 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.452 8.978 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.388 8.643 2.129 1.00 0.00 H new ATOM 466 N TYR A 31 -3.928 8.478 -1.566 1.00 0.00 N ATOM 467 CA TYR A 31 -4.345 7.764 -2.777 1.00 0.00 C ATOM 468 C TYR A 31 -5.482 6.779 -2.434 1.00 0.00 C ATOM 469 O TYR A 31 -5.274 5.854 -1.646 1.00 0.00 O ATOM 470 CB TYR A 31 -3.117 7.011 -3.362 1.00 0.00 C ATOM 471 CG TYR A 31 -1.891 7.907 -3.659 1.00 0.00 C ATOM 472 CD1 TYR A 31 -2.035 9.111 -4.349 1.00 0.00 C ATOM 473 CD2 TYR A 31 -0.595 7.549 -3.253 1.00 0.00 C ATOM 474 CE1 TYR A 31 -0.954 9.913 -4.629 1.00 0.00 C ATOM 475 CE2 TYR A 31 0.493 8.358 -3.536 1.00 0.00 C ATOM 476 CZ TYR A 31 0.305 9.541 -4.223 1.00 0.00 C ATOM 477 OH TYR A 31 1.375 10.361 -4.501 1.00 0.00 O ATOM 0 H TYR A 31 -3.117 8.056 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.718 8.468 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.819 6.231 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.418 6.513 -4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.019 9.420 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.444 6.627 -2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.095 10.838 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.484 8.065 -3.221 1.00 0.00 H new ATOM 0 HH TYR A 31 2.196 9.959 -4.147 1.00 0.00 H new ATOM 487 N THR A 32 -6.692 6.999 -3.005 1.00 0.00 N ATOM 488 CA THR A 32 -7.896 6.183 -2.707 1.00 0.00 C ATOM 489 C THR A 32 -8.713 5.838 -3.985 1.00 0.00 C ATOM 490 O THR A 32 -8.631 4.719 -4.500 1.00 0.00 O ATOM 491 CB THR A 32 -8.823 6.903 -1.656 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.086 8.255 -2.072 1.00 0.00 O ATOM 493 CG2 THR A 32 -8.228 6.910 -0.238 1.00 0.00 C ATOM 0 H THR A 32 -6.861 7.743 -3.682 1.00 0.00 H new ATOM 0 HA THR A 32 -7.535 5.246 -2.283 1.00 0.00 H new ATOM 0 HB THR A 32 -9.751 6.332 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.664 8.693 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.912 7.420 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.079 5.884 0.099 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.271 7.431 -0.248 1.00 0.00 H new ATOM 501 N LYS A 33 -9.467 6.823 -4.518 1.00 0.00 N ATOM 502 CA LYS A 33 -10.553 6.581 -5.511 1.00 0.00 C ATOM 503 C LYS A 33 -10.075 6.660 -6.981 1.00 0.00 C ATOM 504 O LYS A 33 -10.908 6.767 -7.893 1.00 0.00 O ATOM 505 CB LYS A 33 -11.710 7.605 -5.282 1.00 0.00 C ATOM 506 CG LYS A 33 -11.315 9.089 -5.526 1.00 0.00 C ATOM 507 CD LYS A 33 -12.535 10.034 -5.591 1.00 0.00 C ATOM 508 CE LYS A 33 -12.145 11.481 -5.931 1.00 0.00 C ATOM 509 NZ LYS A 33 -13.338 12.336 -6.165 1.00 0.00 N ATOM 0 H LYS A 33 -9.346 7.807 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.901 5.561 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.540 7.350 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.072 7.502 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.649 9.418 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.755 9.162 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.236 9.665 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.054 10.017 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.553 11.898 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.514 11.488 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.032 13.304 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.890 11.952 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.928 12.351 -5.309 1.00 0.00 H new ATOM 523 N VAL A 34 -8.756 6.542 -7.197 1.00 0.00 N ATOM 524 CA VAL A 34 -8.097 6.790 -8.499 1.00 0.00 C ATOM 525 C VAL A 34 -8.315 8.268 -8.916 1.00 0.00 C ATOM 526 O VAL A 34 -9.321 8.611 -9.550 1.00 0.00 O ATOM 527 CB VAL A 34 -8.541 5.774 -9.630 1.00 0.00 C ATOM 528 CG1 VAL A 34 -7.834 6.074 -10.981 1.00 0.00 C ATOM 529 CG2 VAL A 34 -8.311 4.303 -9.177 1.00 0.00 C ATOM 0 H VAL A 34 -8.102 6.267 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.029 6.613 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.610 5.908 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.164 5.356 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.087 7.083 -11.308 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.755 5.994 -10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.624 3.625 -9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.253 4.149 -8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.895 4.103 -8.278 1.00 0.00 H new ATOM 539 N ASP A 35 -7.376 9.141 -8.499 1.00 0.00 N ATOM 540 CA ASP A 35 -7.498 10.603 -8.649 1.00 0.00 C ATOM 541 C ASP A 35 -6.119 11.278 -8.474 1.00 0.00 C ATOM 542 O ASP A 35 -5.228 10.709 -7.835 1.00 0.00 O ATOM 543 CB ASP A 35 -8.504 11.147 -7.592 1.00 0.00 C ATOM 544 CG ASP A 35 -8.860 12.640 -7.759 1.00 0.00 C ATOM 545 OD1 ASP A 35 -9.827 12.955 -8.483 1.00 0.00 O ATOM 546 OD2 ASP A 35 -8.179 13.506 -7.159 1.00 0.00 O ATOM 0 H ASP A 35 -6.509 8.850 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.866 10.833 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.421 10.559 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.085 10.995 -6.597 1.00 0.00 H new ATOM 551 N ASP A 36 -5.973 12.485 -9.066 1.00 0.00 N ATOM 552 CA ASP A 36 -4.799 13.383 -8.915 1.00 0.00 C ATOM 553 C ASP A 36 -3.522 12.786 -9.555 1.00 0.00 C ATOM 554 O ASP A 36 -3.166 13.144 -10.684 1.00 0.00 O ATOM 555 CB ASP A 36 -4.571 13.790 -7.424 1.00 0.00 C ATOM 556 CG ASP A 36 -3.502 14.890 -7.245 1.00 0.00 C ATOM 557 OD1 ASP A 36 -3.854 16.086 -7.321 1.00 0.00 O ATOM 558 OD2 ASP A 36 -2.314 14.566 -7.030 1.00 0.00 O ATOM 0 H ASP A 36 -6.688 12.875 -9.680 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.025 14.296 -9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.514 14.138 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.273 12.909 -6.856 1.00 0.00 H new ATOM 563 N SER A 37 -2.852 11.866 -8.833 1.00 0.00 N ATOM 564 CA SER A 37 -1.610 11.226 -9.300 1.00 0.00 C ATOM 565 C SER A 37 -1.445 9.848 -8.634 1.00 0.00 C ATOM 566 O SER A 37 -0.589 9.654 -7.762 1.00 0.00 O ATOM 567 CB SER A 37 -0.379 12.144 -9.030 1.00 0.00 C ATOM 568 OG SER A 37 0.825 11.571 -9.529 1.00 0.00 O ATOM 0 H SER A 37 -3.157 11.548 -7.913 1.00 0.00 H new ATOM 0 HA SER A 37 -1.673 11.076 -10.378 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.540 13.116 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.283 12.317 -7.958 1.00 0.00 H new ATOM 0 HG SER A 37 1.575 12.174 -9.344 1.00 0.00 H new ATOM 574 N GLN A 38 -2.307 8.897 -9.031 1.00 0.00 N ATOM 575 CA GLN A 38 -2.228 7.494 -8.591 1.00 0.00 C ATOM 576 C GLN A 38 -1.761 6.612 -9.772 1.00 0.00 C ATOM 577 O GLN A 38 -2.542 6.387 -10.706 1.00 0.00 O ATOM 578 CB GLN A 38 -3.608 7.017 -8.069 1.00 0.00 C ATOM 579 CG GLN A 38 -4.140 7.821 -6.869 1.00 0.00 C ATOM 580 CD GLN A 38 -5.463 7.309 -6.292 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.271 8.077 -5.777 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.699 6.010 -6.361 1.00 0.00 N ATOM 0 H GLN A 38 -3.081 9.081 -9.669 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.508 7.410 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.332 7.077 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.534 5.967 -7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.388 7.812 -6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.270 8.860 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.014 5.390 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.566 5.628 -5.982 1.00 0.00 H new ATOM 591 N PRO A 39 -0.468 6.146 -9.785 1.00 0.00 N ATOM 592 CA PRO A 39 0.029 5.177 -10.800 1.00 0.00 C ATOM 593 C PRO A 39 -0.803 3.878 -10.823 1.00 0.00 C ATOM 594 O PRO A 39 -1.363 3.492 -9.787 1.00 0.00 O ATOM 595 CB PRO A 39 1.486 4.891 -10.343 1.00 0.00 C ATOM 596 CG PRO A 39 1.881 6.106 -9.554 1.00 0.00 C ATOM 597 CD PRO A 39 0.616 6.557 -8.850 1.00 0.00 C ATOM 0 HA PRO A 39 -0.039 5.573 -11.813 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.541 3.988 -9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.147 4.741 -11.197 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.667 5.870 -8.837 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.268 6.889 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.507 6.081 -7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.613 7.634 -8.681 1.00 0.00 H new ATOM 605 N ALA A 40 -0.850 3.210 -11.995 1.00 0.00 N ATOM 606 CA ALA A 40 -1.614 1.956 -12.203 1.00 0.00 C ATOM 607 C ALA A 40 -1.280 0.902 -11.127 1.00 0.00 C ATOM 608 O ALA A 40 -2.162 0.217 -10.609 1.00 0.00 O ATOM 609 CB ALA A 40 -1.320 1.410 -13.607 1.00 0.00 C ATOM 0 H ALA A 40 -0.357 3.525 -12.830 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.677 2.179 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.880 0.488 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.618 2.146 -14.353 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.253 1.207 -13.703 1.00 0.00 H new ATOM 615 N PHE A 41 0.004 0.871 -10.760 1.00 0.00 N ATOM 616 CA PHE A 41 0.562 -0.053 -9.767 1.00 0.00 C ATOM 617 C PHE A 41 -0.068 0.182 -8.368 1.00 0.00 C ATOM 618 O PHE A 41 -0.356 -0.767 -7.637 1.00 0.00 O ATOM 619 CB PHE A 41 2.093 0.145 -9.718 1.00 0.00 C ATOM 620 CG PHE A 41 2.793 0.057 -11.083 1.00 0.00 C ATOM 621 CD1 PHE A 41 3.032 -1.178 -11.683 1.00 0.00 C ATOM 622 CD2 PHE A 41 3.204 1.208 -11.766 1.00 0.00 C ATOM 623 CE1 PHE A 41 3.664 -1.265 -12.912 1.00 0.00 C ATOM 624 CE2 PHE A 41 3.835 1.119 -12.998 1.00 0.00 C ATOM 625 CZ PHE A 41 4.064 -0.118 -13.570 1.00 0.00 C ATOM 0 H PHE A 41 0.701 1.502 -11.154 1.00 0.00 H new ATOM 0 HA PHE A 41 0.331 -1.078 -10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.306 1.119 -9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.522 -0.606 -9.055 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.719 -2.082 -11.181 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.027 2.179 -11.327 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.845 -2.232 -13.357 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.147 2.017 -13.510 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.555 -0.188 -14.530 1.00 0.00 H new ATOM 635 N ILE A 42 -0.279 1.471 -8.033 1.00 0.00 N ATOM 636 CA ILE A 42 -0.933 1.908 -6.774 1.00 0.00 C ATOM 637 C ILE A 42 -2.462 1.664 -6.841 1.00 0.00 C ATOM 638 O ILE A 42 -3.100 1.383 -5.812 1.00 0.00 O ATOM 639 CB ILE A 42 -0.610 3.434 -6.480 1.00 0.00 C ATOM 640 CG1 ILE A 42 0.936 3.644 -6.329 1.00 0.00 C ATOM 641 CG2 ILE A 42 -1.372 3.990 -5.245 1.00 0.00 C ATOM 642 CD1 ILE A 42 1.600 2.859 -5.196 1.00 0.00 C ATOM 0 H ILE A 42 0.001 2.248 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.534 1.314 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.965 4.005 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.416 3.369 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.127 4.706 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.109 5.037 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.446 3.906 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.096 3.417 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.668 3.076 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.156 3.149 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.449 1.791 -5.356 1.00 0.00 H new ATOM 654 N ASN A 43 -3.031 1.725 -8.076 1.00 0.00 N ATOM 655 CA ASN A 43 -4.474 1.505 -8.308 1.00 0.00 C ATOM 656 C ASN A 43 -4.809 0.048 -7.972 1.00 0.00 C ATOM 657 O ASN A 43 -5.820 -0.233 -7.338 1.00 0.00 O ATOM 658 CB ASN A 43 -4.862 1.811 -9.791 1.00 0.00 C ATOM 659 CG ASN A 43 -4.849 3.292 -10.197 1.00 0.00 C ATOM 660 OD1 ASN A 43 -5.578 3.696 -11.098 1.00 0.00 O ATOM 661 ND2 ASN A 43 -4.029 4.114 -9.569 1.00 0.00 N ATOM 0 H ASN A 43 -2.504 1.926 -8.926 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.042 2.181 -7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.178 1.269 -10.444 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.860 1.413 -9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.995 5.099 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.429 3.764 -8.822 1.00 0.00 H new ATOM 668 N ASP A 44 -3.895 -0.848 -8.389 1.00 0.00 N ATOM 669 CA ASP A 44 -3.980 -2.293 -8.156 1.00 0.00 C ATOM 670 C ASP A 44 -4.089 -2.611 -6.657 1.00 0.00 C ATOM 671 O ASP A 44 -4.971 -3.371 -6.262 1.00 0.00 O ATOM 672 CB ASP A 44 -2.739 -2.988 -8.767 1.00 0.00 C ATOM 673 CG ASP A 44 -2.671 -4.500 -8.476 1.00 0.00 C ATOM 674 OD1 ASP A 44 -3.361 -5.280 -9.171 1.00 0.00 O ATOM 675 OD2 ASP A 44 -1.927 -4.911 -7.555 1.00 0.00 O ATOM 0 H ASP A 44 -3.060 -0.576 -8.908 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.882 -2.670 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.742 -2.834 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.839 -2.511 -8.379 1.00 0.00 H new ATOM 680 N ILE A 45 -3.187 -2.005 -5.846 1.00 0.00 N ATOM 681 CA ILE A 45 -3.135 -2.223 -4.380 1.00 0.00 C ATOM 682 C ILE A 45 -4.497 -1.867 -3.736 1.00 0.00 C ATOM 683 O ILE A 45 -5.035 -2.640 -2.944 1.00 0.00 O ATOM 684 CB ILE A 45 -1.981 -1.389 -3.700 1.00 0.00 C ATOM 685 CG1 ILE A 45 -0.604 -1.691 -4.367 1.00 0.00 C ATOM 686 CG2 ILE A 45 -1.917 -1.654 -2.168 1.00 0.00 C ATOM 687 CD1 ILE A 45 0.560 -0.852 -3.847 1.00 0.00 C ATOM 0 H ILE A 45 -2.479 -1.355 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.921 -3.279 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.209 -0.334 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.368 -2.745 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.695 -1.533 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.112 -1.064 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.865 -1.371 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.730 -2.713 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.474 -1.134 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.353 0.204 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.685 -1.026 -2.778 1.00 0.00 H new ATOM 699 N LEU A 46 -5.049 -0.706 -4.131 1.00 0.00 N ATOM 700 CA LEU A 46 -6.382 -0.230 -3.678 1.00 0.00 C ATOM 701 C LEU A 46 -7.509 -1.193 -4.100 1.00 0.00 C ATOM 702 O LEU A 46 -8.467 -1.404 -3.347 1.00 0.00 O ATOM 703 CB LEU A 46 -6.629 1.199 -4.232 1.00 0.00 C ATOM 704 CG LEU A 46 -5.757 2.311 -3.570 1.00 0.00 C ATOM 705 CD1 LEU A 46 -5.579 3.535 -4.484 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.326 2.713 -2.185 1.00 0.00 C ATOM 0 H LEU A 46 -4.587 -0.064 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.390 -0.201 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.438 1.197 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.681 1.451 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.763 1.891 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.965 4.280 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.091 3.230 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.555 3.963 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.700 3.489 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.342 3.091 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.338 1.842 -1.530 1.00 0.00 H new ATOM 718 N LYS A 47 -7.372 -1.770 -5.303 1.00 0.00 N ATOM 719 CA LYS A 47 -8.353 -2.717 -5.866 1.00 0.00 C ATOM 720 C LYS A 47 -8.213 -4.121 -5.235 1.00 0.00 C ATOM 721 O LYS A 47 -9.101 -4.964 -5.417 1.00 0.00 O ATOM 722 CB LYS A 47 -8.214 -2.786 -7.412 1.00 0.00 C ATOM 723 CG LYS A 47 -8.581 -1.468 -8.140 1.00 0.00 C ATOM 724 CD LYS A 47 -8.339 -1.538 -9.665 1.00 0.00 C ATOM 725 CE LYS A 47 -8.603 -0.197 -10.362 1.00 0.00 C ATOM 726 NZ LYS A 47 -8.348 -0.279 -11.822 1.00 0.00 N ATOM 0 H LYS A 47 -6.576 -1.594 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.350 -2.350 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.187 -3.053 -7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.852 -3.586 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.629 -1.235 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.994 -0.651 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.310 -1.846 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.984 -2.302 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.636 0.106 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.967 0.572 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.537 0.645 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.356 -0.544 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.972 -0.996 -12.244 1.00 0.00 H new ATOM 740 N VAL A 48 -7.093 -4.375 -4.506 1.00 0.00 N ATOM 741 CA VAL A 48 -6.937 -5.608 -3.705 1.00 0.00 C ATOM 742 C VAL A 48 -7.883 -5.529 -2.484 1.00 0.00 C ATOM 743 O VAL A 48 -7.852 -4.545 -1.720 1.00 0.00 O ATOM 744 CB VAL A 48 -5.449 -5.872 -3.227 1.00 0.00 C ATOM 745 CG1 VAL A 48 -5.347 -7.158 -2.362 1.00 0.00 C ATOM 746 CG2 VAL A 48 -4.470 -5.931 -4.428 1.00 0.00 C ATOM 0 H VAL A 48 -6.293 -3.744 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.196 -6.449 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.158 -5.029 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.313 -7.307 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.979 -7.054 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.678 -8.017 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.459 -6.113 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.765 -6.738 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.497 -4.983 -4.966 1.00 0.00 H new ATOM 756 N GLU A 49 -8.716 -6.576 -2.348 1.00 0.00 N ATOM 757 CA GLU A 49 -9.789 -6.679 -1.347 1.00 0.00 C ATOM 758 C GLU A 49 -9.223 -6.648 0.090 1.00 0.00 C ATOM 759 O GLU A 49 -8.805 -7.675 0.642 1.00 0.00 O ATOM 760 CB GLU A 49 -10.613 -7.970 -1.622 1.00 0.00 C ATOM 761 CG GLU A 49 -11.283 -7.993 -3.022 1.00 0.00 C ATOM 762 CD GLU A 49 -11.805 -9.380 -3.432 1.00 0.00 C ATOM 763 OE1 GLU A 49 -12.946 -9.739 -3.058 1.00 0.00 O ATOM 764 OE2 GLU A 49 -11.064 -10.133 -4.110 1.00 0.00 O ATOM 0 H GLU A 49 -8.658 -7.397 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.450 -5.816 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.958 -8.836 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.384 -8.069 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.112 -7.285 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.563 -7.650 -3.766 1.00 0.00 H new ATOM 771 N GLY A 50 -9.163 -5.426 0.641 1.00 0.00 N ATOM 772 CA GLY A 50 -8.642 -5.171 1.974 1.00 0.00 C ATOM 773 C GLY A 50 -8.237 -3.719 2.133 1.00 0.00 C ATOM 774 O GLY A 50 -8.701 -3.042 3.061 1.00 0.00 O ATOM 0 H GLY A 50 -9.481 -4.584 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.397 -5.425 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.782 -5.814 2.161 1.00 0.00 H new ATOM 778 N VAL A 51 -7.405 -3.238 1.184 1.00 0.00 N ATOM 779 CA VAL A 51 -6.816 -1.882 1.225 1.00 0.00 C ATOM 780 C VAL A 51 -7.905 -0.803 1.078 1.00 0.00 C ATOM 781 O VAL A 51 -8.635 -0.774 0.076 1.00 0.00 O ATOM 782 CB VAL A 51 -5.723 -1.706 0.102 1.00 0.00 C ATOM 783 CG1 VAL A 51 -5.189 -0.254 0.022 1.00 0.00 C ATOM 784 CG2 VAL A 51 -4.570 -2.721 0.302 1.00 0.00 C ATOM 0 H VAL A 51 -7.123 -3.780 0.367 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.337 -1.760 2.196 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.203 -1.913 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.439 -0.185 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.012 0.425 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.739 0.021 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.825 -2.585 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.107 -2.558 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.966 -3.735 0.254 1.00 0.00 H new ATOM 794 N LYS A 52 -8.004 0.068 2.092 1.00 0.00 N ATOM 795 CA LYS A 52 -8.992 1.156 2.130 1.00 0.00 C ATOM 796 C LYS A 52 -8.361 2.462 1.609 1.00 0.00 C ATOM 797 O LYS A 52 -8.917 3.113 0.710 1.00 0.00 O ATOM 798 CB LYS A 52 -9.546 1.326 3.574 1.00 0.00 C ATOM 799 CG LYS A 52 -10.715 2.331 3.692 1.00 0.00 C ATOM 800 CD LYS A 52 -11.409 2.349 5.085 1.00 0.00 C ATOM 801 CE LYS A 52 -10.571 2.995 6.211 1.00 0.00 C ATOM 802 NZ LYS A 52 -9.456 2.129 6.692 1.00 0.00 N ATOM 0 H LYS A 52 -7.399 0.038 2.912 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.829 0.906 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.879 0.355 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.735 1.651 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.342 3.331 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.459 2.095 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.354 2.886 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.649 1.325 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.159 3.938 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.225 3.232 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.368 2.218 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.654 1.138 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.567 2.426 6.242 1.00 0.00 H new ATOM 816 N SER A 53 -7.186 2.830 2.154 1.00 0.00 N ATOM 817 CA SER A 53 -6.483 4.074 1.776 1.00 0.00 C ATOM 818 C SER A 53 -4.956 3.869 1.754 1.00 0.00 C ATOM 819 O SER A 53 -4.424 3.007 2.458 1.00 0.00 O ATOM 820 CB SER A 53 -6.886 5.207 2.753 1.00 0.00 C ATOM 821 OG SER A 53 -6.106 6.375 2.579 1.00 0.00 O ATOM 0 H SER A 53 -6.700 2.280 2.862 1.00 0.00 H new ATOM 0 HA SER A 53 -6.779 4.356 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.938 5.451 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.781 4.853 3.778 1.00 0.00 H new ATOM 0 HG SER A 53 -6.398 7.061 3.215 1.00 0.00 H new ATOM 827 N ILE A 54 -4.270 4.676 0.917 1.00 0.00 N ATOM 828 CA ILE A 54 -2.804 4.657 0.742 1.00 0.00 C ATOM 829 C ILE A 54 -2.259 6.082 0.990 1.00 0.00 C ATOM 830 O ILE A 54 -2.280 6.924 0.095 1.00 0.00 O ATOM 831 CB ILE A 54 -2.422 4.136 -0.715 1.00 0.00 C ATOM 832 CG1 ILE A 54 -2.789 2.629 -0.876 1.00 0.00 C ATOM 833 CG2 ILE A 54 -0.935 4.380 -1.075 1.00 0.00 C ATOM 834 CD1 ILE A 54 -2.399 2.015 -2.208 1.00 0.00 C ATOM 0 H ILE A 54 -4.731 5.373 0.332 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.352 3.971 1.459 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.012 4.723 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.307 2.065 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.865 2.516 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.737 4.004 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.723 5.449 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.297 3.860 -0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.695 0.966 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.902 2.547 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.320 2.090 -2.341 1.00 0.00 H new ATOM 846 N PHE A 55 -1.818 6.370 2.224 1.00 0.00 N ATOM 847 CA PHE A 55 -1.275 7.696 2.580 1.00 0.00 C ATOM 848 C PHE A 55 0.264 7.681 2.485 1.00 0.00 C ATOM 849 O PHE A 55 0.949 7.179 3.375 1.00 0.00 O ATOM 850 CB PHE A 55 -1.765 8.132 3.991 1.00 0.00 C ATOM 851 CG PHE A 55 -1.296 9.529 4.434 1.00 0.00 C ATOM 852 CD1 PHE A 55 -1.458 10.639 3.596 1.00 0.00 C ATOM 853 CD2 PHE A 55 -0.697 9.736 5.681 1.00 0.00 C ATOM 854 CE1 PHE A 55 -1.039 11.897 3.989 1.00 0.00 C ATOM 855 CE2 PHE A 55 -0.280 10.998 6.071 1.00 0.00 C ATOM 856 CZ PHE A 55 -0.449 12.078 5.224 1.00 0.00 C ATOM 0 H PHE A 55 -1.826 5.703 2.996 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.646 8.434 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.855 8.109 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -1.421 7.400 4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.918 10.511 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.558 8.899 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.174 12.740 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.178 11.139 7.039 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.120 13.061 5.528 1.00 0.00 H new ATOM 866 N HIS A 56 0.788 8.210 1.373 1.00 0.00 N ATOM 867 CA HIS A 56 2.239 8.320 1.134 1.00 0.00 C ATOM 868 C HIS A 56 2.742 9.664 1.694 1.00 0.00 C ATOM 869 O HIS A 56 2.150 10.692 1.402 1.00 0.00 O ATOM 870 CB HIS A 56 2.516 8.198 -0.385 1.00 0.00 C ATOM 871 CG HIS A 56 3.972 8.302 -0.789 1.00 0.00 C ATOM 872 ND1 HIS A 56 4.391 8.966 -1.919 1.00 0.00 N ATOM 873 CD2 HIS A 56 5.102 7.807 -0.220 1.00 0.00 C ATOM 874 CE1 HIS A 56 5.696 8.876 -2.025 1.00 0.00 C ATOM 875 NE2 HIS A 56 6.151 8.180 -1.009 1.00 0.00 N ATOM 0 H HIS A 56 0.219 8.576 0.609 1.00 0.00 H new ATOM 0 HA HIS A 56 2.773 7.517 1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.127 7.241 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.956 8.976 -0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.159 7.226 0.689 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.295 9.303 -2.816 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.131 7.954 -0.837 1.00 0.00 H new ATOM 884 N VAL A 57 3.817 9.637 2.504 1.00 0.00 N ATOM 885 CA VAL A 57 4.356 10.837 3.186 1.00 0.00 C ATOM 886 C VAL A 57 5.814 10.603 3.657 1.00 0.00 C ATOM 887 O VAL A 57 6.154 9.495 4.076 1.00 0.00 O ATOM 888 CB VAL A 57 3.435 11.257 4.410 1.00 0.00 C ATOM 889 CG1 VAL A 57 3.195 10.083 5.366 1.00 0.00 C ATOM 890 CG2 VAL A 57 3.980 12.504 5.157 1.00 0.00 C ATOM 0 H VAL A 57 4.339 8.784 2.706 1.00 0.00 H new ATOM 0 HA VAL A 57 4.359 11.654 2.465 1.00 0.00 H new ATOM 0 HB VAL A 57 2.469 11.540 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.561 10.409 6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.704 9.271 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.149 9.733 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.316 12.751 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.977 12.290 5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.031 13.347 4.468 1.00 0.00 H new ATOM 900 N MET A 58 6.650 11.658 3.530 1.00 0.00 N ATOM 901 CA MET A 58 8.037 11.744 4.064 1.00 0.00 C ATOM 902 C MET A 58 9.019 10.733 3.410 1.00 0.00 C ATOM 903 O MET A 58 9.892 11.132 2.634 1.00 0.00 O ATOM 904 CB MET A 58 8.073 11.642 5.618 1.00 0.00 C ATOM 905 CG MET A 58 9.481 11.763 6.222 1.00 0.00 C ATOM 906 SD MET A 58 9.482 11.656 8.021 1.00 0.00 S ATOM 907 CE MET A 58 11.240 11.535 8.367 1.00 0.00 C ATOM 0 H MET A 58 6.372 12.506 3.036 1.00 0.00 H new ATOM 0 HA MET A 58 8.392 12.736 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.441 12.425 6.038 1.00 0.00 H new ATOM 0 HB3 MET A 58 7.641 10.688 5.919 1.00 0.00 H new ATOM 0 HG2 MET A 58 10.115 10.975 5.816 1.00 0.00 H new ATOM 0 HG3 MET A 58 9.921 12.713 5.919 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.395 11.462 9.443 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.646 10.648 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 58 11.748 12.421 7.987 1.00 0.00 H new ATOM 917 N ASP A 59 8.900 9.442 3.748 1.00 0.00 N ATOM 918 CA ASP A 59 9.794 8.386 3.213 1.00 0.00 C ATOM 919 C ASP A 59 9.111 7.015 3.244 1.00 0.00 C ATOM 920 O ASP A 59 9.743 6.004 2.957 1.00 0.00 O ATOM 921 CB ASP A 59 11.125 8.339 4.024 1.00 0.00 C ATOM 922 CG ASP A 59 10.964 7.810 5.472 1.00 0.00 C ATOM 923 OD1 ASP A 59 10.395 8.529 6.318 1.00 0.00 O ATOM 924 OD2 ASP A 59 11.426 6.684 5.768 1.00 0.00 O ATOM 0 H ASP A 59 8.191 9.094 4.393 1.00 0.00 H new ATOM 0 HA ASP A 59 10.019 8.632 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.839 7.707 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.552 9.341 4.060 1.00 0.00 H new ATOM 929 N PHE A 60 7.814 6.996 3.552 1.00 0.00 N ATOM 930 CA PHE A 60 7.063 5.758 3.777 1.00 0.00 C ATOM 931 C PHE A 60 5.651 5.887 3.210 1.00 0.00 C ATOM 932 O PHE A 60 5.193 6.988 2.891 1.00 0.00 O ATOM 933 CB PHE A 60 7.024 5.427 5.294 1.00 0.00 C ATOM 934 CG PHE A 60 6.326 6.484 6.159 1.00 0.00 C ATOM 935 CD1 PHE A 60 7.009 7.622 6.597 1.00 0.00 C ATOM 936 CD2 PHE A 60 4.983 6.341 6.530 1.00 0.00 C ATOM 937 CE1 PHE A 60 6.372 8.582 7.355 1.00 0.00 C ATOM 938 CE2 PHE A 60 4.354 7.298 7.296 1.00 0.00 C ATOM 939 CZ PHE A 60 5.049 8.419 7.711 1.00 0.00 C ATOM 0 H PHE A 60 7.252 7.841 3.653 1.00 0.00 H new ATOM 0 HA PHE A 60 7.563 4.939 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.518 4.472 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.046 5.301 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.050 7.751 6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.433 5.468 6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.910 9.464 7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.318 7.173 7.572 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.556 9.167 8.314 1.00 0.00 H new ATOM 949 N ILE A 61 4.965 4.743 3.088 1.00 0.00 N ATOM 950 CA ILE A 61 3.578 4.679 2.627 1.00 0.00 C ATOM 951 C ILE A 61 2.739 4.007 3.730 1.00 0.00 C ATOM 952 O ILE A 61 2.801 2.785 3.887 1.00 0.00 O ATOM 953 CB ILE A 61 3.393 3.880 1.262 1.00 0.00 C ATOM 954 CG1 ILE A 61 4.452 4.252 0.159 1.00 0.00 C ATOM 955 CG2 ILE A 61 1.973 4.125 0.719 1.00 0.00 C ATOM 956 CD1 ILE A 61 5.810 3.572 0.294 1.00 0.00 C ATOM 0 H ILE A 61 5.363 3.830 3.309 1.00 0.00 H new ATOM 0 HA ILE A 61 3.250 5.699 2.428 1.00 0.00 H new ATOM 0 HB ILE A 61 3.549 2.826 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.036 4.003 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.603 5.331 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.842 3.580 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.240 3.778 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.831 5.191 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.462 3.898 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.258 3.840 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.682 2.491 0.243 1.00 0.00 H new ATOM 968 N SER A 62 1.989 4.809 4.505 1.00 0.00 N ATOM 969 CA SER A 62 1.081 4.293 5.537 1.00 0.00 C ATOM 970 C SER A 62 -0.251 3.860 4.885 1.00 0.00 C ATOM 971 O SER A 62 -1.170 4.668 4.709 1.00 0.00 O ATOM 972 CB SER A 62 0.875 5.350 6.649 1.00 0.00 C ATOM 973 OG SER A 62 0.533 6.622 6.115 1.00 0.00 O ATOM 0 H SER A 62 1.996 5.826 4.433 1.00 0.00 H new ATOM 0 HA SER A 62 1.520 3.415 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.088 5.017 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.787 5.438 7.240 1.00 0.00 H new ATOM 0 HG SER A 62 0.592 6.593 5.137 1.00 0.00 H new ATOM 979 N VAL A 63 -0.294 2.584 4.457 1.00 0.00 N ATOM 980 CA VAL A 63 -1.470 1.981 3.813 1.00 0.00 C ATOM 981 C VAL A 63 -2.380 1.371 4.890 1.00 0.00 C ATOM 982 O VAL A 63 -1.962 0.451 5.596 1.00 0.00 O ATOM 983 CB VAL A 63 -1.050 0.853 2.787 1.00 0.00 C ATOM 984 CG1 VAL A 63 -2.271 0.285 2.036 1.00 0.00 C ATOM 985 CG2 VAL A 63 0.035 1.346 1.801 1.00 0.00 C ATOM 0 H VAL A 63 0.492 1.941 4.550 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.998 2.762 3.266 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.614 0.041 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.943 -0.487 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.971 -0.145 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.763 1.086 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.295 0.541 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.346 2.197 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.922 1.648 2.358 1.00 0.00 H new ATOM 995 N ASP A 64 -3.604 1.899 5.039 1.00 0.00 N ATOM 996 CA ASP A 64 -4.607 1.355 5.986 1.00 0.00 C ATOM 997 C ASP A 64 -5.631 0.470 5.265 1.00 0.00 C ATOM 998 O ASP A 64 -5.772 0.531 4.036 1.00 0.00 O ATOM 999 CB ASP A 64 -5.309 2.489 6.780 1.00 0.00 C ATOM 1000 CG ASP A 64 -5.988 3.529 5.890 1.00 0.00 C ATOM 1001 OD1 ASP A 64 -7.182 3.345 5.539 1.00 0.00 O ATOM 1002 OD2 ASP A 64 -5.331 4.530 5.536 1.00 0.00 O ATOM 0 H ASP A 64 -3.932 2.710 4.514 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.074 0.730 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.054 2.049 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.574 2.988 7.412 1.00 0.00 H new ATOM 1007 N LYS A 65 -6.363 -0.333 6.058 1.00 0.00 N ATOM 1008 CA LYS A 65 -7.323 -1.322 5.540 1.00 0.00 C ATOM 1009 C LYS A 65 -8.627 -1.301 6.336 1.00 0.00 C ATOM 1010 O LYS A 65 -8.749 -0.583 7.330 1.00 0.00 O ATOM 1011 CB LYS A 65 -6.659 -2.746 5.528 1.00 0.00 C ATOM 1012 CG LYS A 65 -6.041 -3.268 6.870 1.00 0.00 C ATOM 1013 CD LYS A 65 -7.056 -3.904 7.845 1.00 0.00 C ATOM 1014 CE LYS A 65 -6.412 -4.590 9.065 1.00 0.00 C ATOM 1015 NZ LYS A 65 -5.493 -5.693 8.667 1.00 0.00 N ATOM 0 H LYS A 65 -6.305 -0.314 7.076 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.585 -1.060 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.411 -3.465 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.872 -2.744 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.271 -4.004 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.546 -2.437 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.740 -3.131 8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.654 -4.637 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.861 -3.851 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.194 -4.986 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.228 -6.245 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.971 -6.313 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.637 -5.292 8.232 1.00 0.00 H new ATOM 1029 N GLU A 66 -9.614 -2.065 5.848 1.00 0.00 N ATOM 1030 CA GLU A 66 -10.826 -2.406 6.609 1.00 0.00 C ATOM 1031 C GLU A 66 -10.498 -3.635 7.466 1.00 0.00 C ATOM 1032 O GLU A 66 -10.061 -4.649 6.911 1.00 0.00 O ATOM 1033 CB GLU A 66 -12.000 -2.705 5.646 1.00 0.00 C ATOM 1034 CG GLU A 66 -12.362 -1.522 4.730 1.00 0.00 C ATOM 1035 CD GLU A 66 -13.526 -1.830 3.779 1.00 0.00 C ATOM 1036 OE1 GLU A 66 -14.696 -1.771 4.218 1.00 0.00 O ATOM 1037 OE2 GLU A 66 -13.278 -2.167 2.603 1.00 0.00 O ATOM 0 H GLU A 66 -9.595 -2.466 4.910 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.131 -1.573 7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.743 -3.566 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.877 -2.983 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.622 -0.660 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.486 -1.243 4.144 1.00 0.00 H new ATOM 1044 N ASN A 67 -10.716 -3.531 8.795 1.00 0.00 N ATOM 1045 CA ASN A 67 -10.221 -4.502 9.817 1.00 0.00 C ATOM 1046 C ASN A 67 -10.645 -5.966 9.530 1.00 0.00 C ATOM 1047 O ASN A 67 -10.014 -6.909 10.027 1.00 0.00 O ATOM 1048 CB ASN A 67 -10.663 -4.031 11.234 1.00 0.00 C ATOM 1049 CG ASN A 67 -9.976 -4.778 12.391 1.00 0.00 C ATOM 1050 OD1 ASN A 67 -8.890 -4.395 12.835 1.00 0.00 O ATOM 1051 ND2 ASN A 67 -10.609 -5.822 12.905 1.00 0.00 N ATOM 0 H ASN A 67 -11.248 -2.762 9.202 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.132 -4.512 9.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.456 -2.965 11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.742 -4.156 11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.200 -6.332 13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.506 -6.116 12.518 1.00 0.00 H new ATOM 1058 N ASP A 68 -11.711 -6.130 8.724 1.00 0.00 N ATOM 1059 CA ASP A 68 -12.198 -7.441 8.227 1.00 0.00 C ATOM 1060 C ASP A 68 -11.075 -8.268 7.573 1.00 0.00 C ATOM 1061 O ASP A 68 -10.920 -9.463 7.856 1.00 0.00 O ATOM 1062 CB ASP A 68 -13.327 -7.230 7.185 1.00 0.00 C ATOM 1063 CG ASP A 68 -14.518 -6.442 7.740 1.00 0.00 C ATOM 1064 OD1 ASP A 68 -15.413 -7.053 8.358 1.00 0.00 O ATOM 1065 OD2 ASP A 68 -14.559 -5.199 7.574 1.00 0.00 O ATOM 0 H ASP A 68 -12.271 -5.345 8.391 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.572 -7.989 9.092 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.922 -6.704 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.674 -8.201 6.833 1.00 0.00 H new ATOM 1070 N ALA A 69 -10.314 -7.613 6.686 1.00 0.00 N ATOM 1071 CA ALA A 69 -9.231 -8.247 5.916 1.00 0.00 C ATOM 1072 C ALA A 69 -7.896 -8.182 6.670 1.00 0.00 C ATOM 1073 O ALA A 69 -7.496 -7.110 7.138 1.00 0.00 O ATOM 1074 CB ALA A 69 -9.092 -7.575 4.547 1.00 0.00 C ATOM 0 H ALA A 69 -10.432 -6.621 6.480 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.490 -9.297 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.288 -8.053 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.027 -7.675 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.862 -6.518 4.682 1.00 0.00 H new ATOM 1080 N ASN A 70 -7.214 -9.331 6.771 1.00 0.00 N ATOM 1081 CA ASN A 70 -5.844 -9.409 7.307 1.00 0.00 C ATOM 1082 C ASN A 70 -4.836 -9.112 6.187 1.00 0.00 C ATOM 1083 O ASN A 70 -5.142 -9.308 5.007 1.00 0.00 O ATOM 1084 CB ASN A 70 -5.576 -10.807 7.907 1.00 0.00 C ATOM 1085 CG ASN A 70 -6.530 -11.168 9.044 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -7.598 -11.738 8.817 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -6.149 -10.852 10.277 1.00 0.00 N ATOM 0 H ASN A 70 -7.594 -10.233 6.484 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.731 -8.669 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.661 -11.555 7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.551 -10.847 8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.748 -11.081 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.258 -10.380 10.430 1.00 0.00 H new ATOM 1094 N TRP A 71 -3.630 -8.656 6.563 1.00 0.00 N ATOM 1095 CA TRP A 71 -2.617 -8.212 5.588 1.00 0.00 C ATOM 1096 C TRP A 71 -1.895 -9.375 4.872 1.00 0.00 C ATOM 1097 O TRP A 71 -1.508 -9.210 3.725 1.00 0.00 O ATOM 1098 CB TRP A 71 -1.574 -7.281 6.254 1.00 0.00 C ATOM 1099 CG TRP A 71 -2.021 -5.847 6.457 1.00 0.00 C ATOM 1100 CD1 TRP A 71 -2.153 -5.185 7.637 1.00 0.00 C ATOM 1101 CD2 TRP A 71 -2.345 -4.883 5.436 1.00 0.00 C ATOM 1102 NE1 TRP A 71 -2.512 -3.886 7.423 1.00 0.00 N ATOM 1103 CE2 TRP A 71 -2.636 -3.674 6.089 1.00 0.00 C ATOM 1104 CE3 TRP A 71 -2.415 -4.921 4.041 1.00 0.00 C ATOM 1105 CZ2 TRP A 71 -2.972 -2.521 5.411 1.00 0.00 C ATOM 1106 CZ3 TRP A 71 -2.752 -3.764 3.366 1.00 0.00 C ATOM 1107 CH2 TRP A 71 -3.028 -2.579 4.056 1.00 0.00 C ATOM 0 H TRP A 71 -3.331 -8.585 7.536 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.168 -7.662 4.825 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.304 -7.700 7.223 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.671 -7.280 5.644 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.995 -5.626 8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.663 -3.186 8.150 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.210 -5.835 3.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -3.183 -1.603 5.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.803 -3.774 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.291 -1.692 3.499 1.00 0.00 H new ATOM 1118 N GLU A 72 -1.719 -10.532 5.548 1.00 0.00 N ATOM 1119 CA GLU A 72 -0.876 -11.671 5.042 1.00 0.00 C ATOM 1120 C GLU A 72 -1.268 -12.166 3.614 1.00 0.00 C ATOM 1121 O GLU A 72 -0.414 -12.656 2.865 1.00 0.00 O ATOM 1122 CB GLU A 72 -0.840 -12.854 6.079 1.00 0.00 C ATOM 1123 CG GLU A 72 -2.138 -13.123 6.877 1.00 0.00 C ATOM 1124 CD GLU A 72 -3.346 -13.528 6.019 1.00 0.00 C ATOM 1125 OE1 GLU A 72 -3.527 -14.737 5.758 1.00 0.00 O ATOM 1126 OE2 GLU A 72 -4.120 -12.641 5.604 1.00 0.00 O ATOM 0 H GLU A 72 -2.148 -10.716 6.455 1.00 0.00 H new ATOM 0 HA GLU A 72 0.133 -11.272 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.575 -13.766 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.038 -12.657 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.945 -13.912 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.394 -12.226 7.441 1.00 0.00 H new ATOM 1133 N THR A 73 -2.550 -12.008 3.255 1.00 0.00 N ATOM 1134 CA THR A 73 -3.083 -12.373 1.932 1.00 0.00 C ATOM 1135 C THR A 73 -2.772 -11.252 0.907 1.00 0.00 C ATOM 1136 O THR A 73 -2.454 -11.523 -0.258 1.00 0.00 O ATOM 1137 CB THR A 73 -4.622 -12.702 2.002 1.00 0.00 C ATOM 1138 OG1 THR A 73 -5.093 -13.177 0.730 1.00 0.00 O ATOM 1139 CG2 THR A 73 -5.485 -11.500 2.456 1.00 0.00 C ATOM 0 H THR A 73 -3.255 -11.619 3.881 1.00 0.00 H new ATOM 0 HA THR A 73 -2.588 -13.284 1.595 1.00 0.00 H new ATOM 0 HB THR A 73 -4.731 -13.480 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.050 -13.378 0.790 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.534 -11.795 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.172 -11.182 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.358 -10.675 1.755 1.00 0.00 H new ATOM 1147 N VAL A 74 -2.899 -9.992 1.375 1.00 0.00 N ATOM 1148 CA VAL A 74 -2.686 -8.767 0.576 1.00 0.00 C ATOM 1149 C VAL A 74 -1.178 -8.556 0.234 1.00 0.00 C ATOM 1150 O VAL A 74 -0.849 -8.096 -0.862 1.00 0.00 O ATOM 1151 CB VAL A 74 -3.264 -7.503 1.335 1.00 0.00 C ATOM 1152 CG1 VAL A 74 -3.123 -6.204 0.507 1.00 0.00 C ATOM 1153 CG2 VAL A 74 -4.737 -7.731 1.769 1.00 0.00 C ATOM 0 H VAL A 74 -3.159 -9.794 2.341 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.223 -8.890 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.661 -7.374 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.534 -5.367 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.069 -6.018 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.666 -6.310 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.105 -6.845 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.351 -7.917 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.791 -8.591 2.437 1.00 0.00 H new ATOM 1163 N LEU A 75 -0.286 -8.922 1.193 1.00 0.00 N ATOM 1164 CA LEU A 75 1.185 -8.659 1.147 1.00 0.00 C ATOM 1165 C LEU A 75 1.878 -9.083 -0.182 1.00 0.00 C ATOM 1166 O LEU A 75 2.627 -8.275 -0.728 1.00 0.00 O ATOM 1167 CB LEU A 75 1.916 -9.309 2.373 1.00 0.00 C ATOM 1168 CG LEU A 75 1.664 -8.648 3.764 1.00 0.00 C ATOM 1169 CD1 LEU A 75 2.357 -9.428 4.904 1.00 0.00 C ATOM 1170 CD2 LEU A 75 2.095 -7.171 3.746 1.00 0.00 C ATOM 0 H LEU A 75 -0.571 -9.418 2.038 1.00 0.00 H new ATOM 0 HA LEU A 75 1.277 -7.574 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.617 -10.355 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.988 -9.295 2.178 1.00 0.00 H new ATOM 0 HG LEU A 75 0.593 -8.686 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.157 -8.936 5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.971 -10.447 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.432 -9.452 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.912 -6.727 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.157 -7.105 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.522 -6.634 2.990 1.00 0.00 H new ATOM 1182 N PRO A 76 1.671 -10.340 -0.729 1.00 0.00 N ATOM 1183 CA PRO A 76 2.306 -10.755 -2.018 1.00 0.00 C ATOM 1184 C PRO A 76 1.971 -9.821 -3.199 1.00 0.00 C ATOM 1185 O PRO A 76 2.786 -9.639 -4.104 1.00 0.00 O ATOM 1186 CB PRO A 76 1.754 -12.182 -2.256 1.00 0.00 C ATOM 1187 CG PRO A 76 1.398 -12.677 -0.888 1.00 0.00 C ATOM 1188 CD PRO A 76 0.879 -11.467 -0.152 1.00 0.00 C ATOM 0 HA PRO A 76 3.393 -10.713 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.884 -12.167 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.499 -12.822 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.643 -13.462 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.267 -13.102 -0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.190 -11.329 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.032 -11.555 0.924 1.00 0.00 H new ATOM 1196 N LYS A 77 0.767 -9.230 -3.155 1.00 0.00 N ATOM 1197 CA LYS A 77 0.241 -8.358 -4.220 1.00 0.00 C ATOM 1198 C LYS A 77 0.838 -6.938 -4.097 1.00 0.00 C ATOM 1199 O LYS A 77 1.191 -6.325 -5.106 1.00 0.00 O ATOM 1200 CB LYS A 77 -1.326 -8.341 -4.203 1.00 0.00 C ATOM 1201 CG LYS A 77 -2.005 -9.676 -4.653 1.00 0.00 C ATOM 1202 CD LYS A 77 -1.796 -10.860 -3.670 1.00 0.00 C ATOM 1203 CE LYS A 77 -2.153 -12.228 -4.285 1.00 0.00 C ATOM 1204 NZ LYS A 77 -3.584 -12.338 -4.676 1.00 0.00 N ATOM 0 H LYS A 77 0.124 -9.344 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 77 0.546 -8.760 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.661 -8.102 -3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.673 -7.537 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.074 -9.504 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.615 -9.957 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.756 -10.875 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.405 -10.698 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.529 -12.399 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.917 -13.014 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.762 -13.279 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.184 -12.204 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.808 -11.608 -5.382 1.00 0.00 H new ATOM 1218 N VAL A 78 0.970 -6.429 -2.854 1.00 0.00 N ATOM 1219 CA VAL A 78 1.594 -5.111 -2.595 1.00 0.00 C ATOM 1220 C VAL A 78 3.094 -5.155 -2.975 1.00 0.00 C ATOM 1221 O VAL A 78 3.576 -4.308 -3.722 1.00 0.00 O ATOM 1222 CB VAL A 78 1.431 -4.670 -1.089 1.00 0.00 C ATOM 1223 CG1 VAL A 78 2.061 -3.282 -0.827 1.00 0.00 C ATOM 1224 CG2 VAL A 78 -0.054 -4.692 -0.661 1.00 0.00 C ATOM 0 H VAL A 78 0.653 -6.910 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 78 1.081 -4.373 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 78 1.971 -5.394 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.928 -3.014 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.125 -3.315 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.575 -2.537 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.137 -4.384 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.624 -4.007 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.450 -5.701 -0.773 1.00 0.00 H new ATOM 1234 N GLU A 79 3.786 -6.197 -2.488 1.00 0.00 N ATOM 1235 CA GLU A 79 5.234 -6.402 -2.707 1.00 0.00 C ATOM 1236 C GLU A 79 5.550 -6.627 -4.202 1.00 0.00 C ATOM 1237 O GLU A 79 6.627 -6.241 -4.682 1.00 0.00 O ATOM 1238 CB GLU A 79 5.707 -7.606 -1.855 1.00 0.00 C ATOM 1239 CG GLU A 79 7.227 -7.860 -1.876 1.00 0.00 C ATOM 1240 CD GLU A 79 7.637 -9.102 -1.075 1.00 0.00 C ATOM 1241 OE1 GLU A 79 7.459 -10.230 -1.587 1.00 0.00 O ATOM 1242 OE2 GLU A 79 8.112 -8.963 0.071 1.00 0.00 O ATOM 0 H GLU A 79 3.355 -6.930 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 79 5.771 -5.505 -2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.394 -7.447 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.199 -8.504 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.557 -7.975 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.741 -6.988 -1.473 1.00 0.00 H new ATOM 1249 N ALA A 80 4.577 -7.242 -4.922 1.00 0.00 N ATOM 1250 CA ALA A 80 4.664 -7.498 -6.375 1.00 0.00 C ATOM 1251 C ALA A 80 4.873 -6.191 -7.156 1.00 0.00 C ATOM 1252 O ALA A 80 5.590 -6.186 -8.138 1.00 0.00 O ATOM 1253 CB ALA A 80 3.409 -8.241 -6.880 1.00 0.00 C ATOM 0 H ALA A 80 3.708 -7.574 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 80 5.530 -8.136 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.497 -8.418 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.318 -9.195 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.524 -7.636 -6.684 1.00 0.00 H new ATOM 1259 N VAL A 81 4.261 -5.087 -6.668 1.00 0.00 N ATOM 1260 CA VAL A 81 4.392 -3.733 -7.267 1.00 0.00 C ATOM 1261 C VAL A 81 5.870 -3.291 -7.321 1.00 0.00 C ATOM 1262 O VAL A 81 6.355 -2.804 -8.348 1.00 0.00 O ATOM 1263 CB VAL A 81 3.527 -2.687 -6.457 1.00 0.00 C ATOM 1264 CG1 VAL A 81 3.844 -1.207 -6.821 1.00 0.00 C ATOM 1265 CG2 VAL A 81 2.022 -3.011 -6.616 1.00 0.00 C ATOM 0 H VAL A 81 3.659 -5.108 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 81 4.018 -3.776 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 81 3.801 -2.785 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.214 -0.544 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.893 -0.997 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.647 -1.043 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.432 -2.286 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.749 -2.963 -7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.823 -4.013 -6.235 1.00 0.00 H new ATOM 1275 N PHE A 82 6.570 -3.476 -6.197 1.00 0.00 N ATOM 1276 CA PHE A 82 7.992 -3.089 -6.041 1.00 0.00 C ATOM 1277 C PHE A 82 8.970 -4.206 -6.496 1.00 0.00 C ATOM 1278 O PHE A 82 10.151 -4.174 -6.114 1.00 0.00 O ATOM 1279 CB PHE A 82 8.239 -2.729 -4.547 1.00 0.00 C ATOM 1280 CG PHE A 82 7.139 -1.856 -3.946 1.00 0.00 C ATOM 1281 CD1 PHE A 82 7.094 -0.484 -4.186 1.00 0.00 C ATOM 1282 CD2 PHE A 82 6.112 -2.427 -3.196 1.00 0.00 C ATOM 1283 CE1 PHE A 82 6.066 0.284 -3.679 1.00 0.00 C ATOM 1284 CE2 PHE A 82 5.084 -1.662 -2.701 1.00 0.00 C ATOM 1285 CZ PHE A 82 5.057 -0.312 -2.942 1.00 0.00 C ATOM 0 H PHE A 82 6.171 -3.900 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 82 8.188 -2.231 -6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.321 -3.649 -3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.194 -2.211 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.871 -0.018 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.125 -3.489 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.049 1.349 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.297 -2.123 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.246 0.288 -2.556 1.00 0.00 H new ATOM 1295 N GLU A 83 8.498 -5.175 -7.322 1.00 0.00 N ATOM 1296 CA GLU A 83 9.350 -6.310 -7.775 1.00 0.00 C ATOM 1297 C GLU A 83 8.840 -6.953 -9.103 1.00 0.00 C ATOM 1298 O GLU A 83 9.392 -7.963 -9.560 1.00 0.00 O ATOM 1299 CB GLU A 83 9.443 -7.361 -6.624 1.00 0.00 C ATOM 1300 CG GLU A 83 10.588 -8.390 -6.760 1.00 0.00 C ATOM 1301 CD GLU A 83 10.698 -9.326 -5.546 1.00 0.00 C ATOM 1302 OE1 GLU A 83 11.386 -8.966 -4.561 1.00 0.00 O ATOM 1303 OE2 GLU A 83 10.087 -10.419 -5.565 1.00 0.00 O ATOM 0 H GLU A 83 7.545 -5.196 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 83 10.345 -5.927 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.563 -6.831 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.497 -7.900 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.429 -8.986 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.532 -7.861 -6.891 1.00 0.00 H new ATOM 1310 N LEU A 84 7.799 -6.363 -9.741 1.00 0.00 N ATOM 1311 CA LEU A 84 7.261 -6.879 -11.035 1.00 0.00 C ATOM 1312 C LEU A 84 8.232 -6.600 -12.195 1.00 0.00 C ATOM 1313 O LEU A 84 8.301 -7.385 -13.152 1.00 0.00 O ATOM 1314 CB LEU A 84 5.805 -6.351 -11.343 1.00 0.00 C ATOM 1315 CG LEU A 84 5.448 -4.853 -10.993 1.00 0.00 C ATOM 1316 CD1 LEU A 84 6.180 -3.818 -11.873 1.00 0.00 C ATOM 1317 CD2 LEU A 84 3.915 -4.640 -11.030 1.00 0.00 C ATOM 0 H LEU A 84 7.316 -5.537 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 84 7.174 -7.961 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.621 -6.494 -12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.102 -6.991 -10.809 1.00 0.00 H new ATOM 0 HG LEU A 84 5.808 -4.679 -9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.884 -2.812 -11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.257 -3.932 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.916 -3.978 -12.918 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.686 -3.603 -10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.540 -4.870 -12.027 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.439 -5.297 -10.302 1.00 0.00 H new