USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 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 41 THR OG1 : rot -68:sc= 0.484 USER MOD Set 1.2: A 79 MET CE :methyl -150:sc= -2.15 (180deg=-4.39!) USER MOD Set 2.1: A 17 GLN : amide:sc= 1.05 K(o=2,f=-1.4) USER MOD Set 2.2: A 19 TYR OH : rot -96:sc= 0.965 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.16 USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -0.491 (180deg=-1.25!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0.282 (180deg=0.273) USER MOD Single : A 35 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.99 K(o=-2,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ -131:sc= -0.245 (180deg=-2.19!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.574 K(o=-0.57,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.5!) USER MOD Single : A 75 THR OG1 : rot 20:sc= -1.92 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -173:sc= -3.43! (180deg=-3.51) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 85 SER OG : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.842 9.242 7.582 1.00 0.00 N ATOM 2 CA GLY A 1 22.872 10.292 6.579 1.00 0.00 C ATOM 3 C GLY A 1 21.772 10.086 5.535 1.00 0.00 C ATOM 4 O GLY A 1 20.776 10.807 5.527 1.00 0.00 O ATOM 0 H1 GLY A 1 23.598 9.405 8.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.920 9.248 8.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.987 8.320 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.745 11.262 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.846 10.304 6.089 1.00 0.00 H new ATOM 8 N SER A 2 21.990 9.097 4.680 1.00 0.00 N ATOM 9 CA SER A 2 21.030 8.787 3.635 1.00 0.00 C ATOM 10 C SER A 2 20.883 9.979 2.688 1.00 0.00 C ATOM 11 O SER A 2 19.999 10.815 2.869 1.00 0.00 O ATOM 12 CB SER A 2 19.671 8.410 4.229 1.00 0.00 C ATOM 13 OG SER A 2 19.639 7.057 4.673 1.00 0.00 O ATOM 0 H SER A 2 22.817 8.500 4.690 1.00 0.00 H new ATOM 0 HA SER A 2 21.401 7.929 3.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.445 9.071 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.893 8.565 3.481 1.00 0.00 H new ATOM 0 HG SER A 2 18.756 6.856 5.047 1.00 0.00 H new ATOM 19 N SER A 3 21.763 10.020 1.698 1.00 0.00 N ATOM 20 CA SER A 3 21.742 11.096 0.723 1.00 0.00 C ATOM 21 C SER A 3 20.298 11.436 0.348 1.00 0.00 C ATOM 22 O SER A 3 19.410 10.593 0.459 1.00 0.00 O ATOM 23 CB SER A 3 22.540 10.722 -0.528 1.00 0.00 C ATOM 24 OG SER A 3 23.648 11.593 -0.735 1.00 0.00 O ATOM 0 H SER A 3 22.495 9.325 1.551 1.00 0.00 H new ATOM 0 HA SER A 3 22.210 11.972 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.897 9.696 -0.437 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.885 10.755 -1.399 1.00 0.00 H new ATOM 0 HG SER A 3 24.132 11.320 -1.542 1.00 0.00 H new ATOM 30 N GLY A 4 20.108 12.673 -0.087 1.00 0.00 N ATOM 31 CA GLY A 4 18.787 13.135 -0.478 1.00 0.00 C ATOM 32 C GLY A 4 18.258 12.336 -1.671 1.00 0.00 C ATOM 33 O GLY A 4 18.892 12.293 -2.724 1.00 0.00 O ATOM 0 H GLY A 4 20.847 13.370 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.100 13.038 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.829 14.194 -0.734 1.00 0.00 H new ATOM 37 N SER A 5 17.102 11.722 -1.465 1.00 0.00 N ATOM 38 CA SER A 5 16.481 10.926 -2.510 1.00 0.00 C ATOM 39 C SER A 5 15.262 11.661 -3.072 1.00 0.00 C ATOM 40 O SER A 5 14.322 11.963 -2.339 1.00 0.00 O ATOM 41 CB SER A 5 16.074 9.548 -1.985 1.00 0.00 C ATOM 42 OG SER A 5 16.509 8.499 -2.845 1.00 0.00 O ATOM 0 H SER A 5 16.579 11.760 -0.590 1.00 0.00 H new ATOM 0 HA SER A 5 17.210 10.780 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.496 9.400 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.990 9.505 -1.881 1.00 0.00 H new ATOM 0 HG SER A 5 16.231 7.635 -2.474 1.00 0.00 H new ATOM 48 N SER A 6 15.319 11.929 -4.369 1.00 0.00 N ATOM 49 CA SER A 6 14.231 12.623 -5.038 1.00 0.00 C ATOM 50 C SER A 6 13.057 11.667 -5.257 1.00 0.00 C ATOM 51 O SER A 6 13.129 10.772 -6.098 1.00 0.00 O ATOM 52 CB SER A 6 14.692 13.212 -6.372 1.00 0.00 C ATOM 53 OG SER A 6 15.411 12.263 -7.155 1.00 0.00 O ATOM 0 H SER A 6 16.101 11.678 -4.974 1.00 0.00 H new ATOM 0 HA SER A 6 13.907 13.446 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.825 13.562 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.323 14.081 -6.186 1.00 0.00 H new ATOM 0 HG SER A 6 14.945 11.401 -7.134 1.00 0.00 H new ATOM 59 N GLY A 7 12.002 11.889 -4.487 1.00 0.00 N ATOM 60 CA GLY A 7 10.814 11.059 -4.587 1.00 0.00 C ATOM 61 C GLY A 7 10.287 10.686 -3.199 1.00 0.00 C ATOM 62 O GLY A 7 10.952 10.929 -2.193 1.00 0.00 O ATOM 0 H GLY A 7 11.945 12.632 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.041 11.590 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.045 10.153 -5.148 1.00 0.00 H new ATOM 66 N LEU A 8 9.098 10.102 -3.190 1.00 0.00 N ATOM 67 CA LEU A 8 8.475 9.694 -1.943 1.00 0.00 C ATOM 68 C LEU A 8 8.469 8.166 -1.857 1.00 0.00 C ATOM 69 O LEU A 8 7.622 7.510 -2.461 1.00 0.00 O ATOM 70 CB LEU A 8 7.087 10.323 -1.807 1.00 0.00 C ATOM 71 CG LEU A 8 6.471 10.292 -0.406 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.274 11.241 -0.313 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.104 8.864 0.001 1.00 0.00 C ATOM 0 H LEU A 8 8.550 9.902 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 8 9.050 10.059 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.147 11.361 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.410 9.812 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 8 7.219 10.646 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.855 11.200 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.599 12.259 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.515 10.941 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.669 8.871 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.381 8.458 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.000 8.244 0.000 1.00 0.00 H new ATOM 85 N PRO A 9 9.449 7.630 -1.081 1.00 0.00 N ATOM 86 CA PRO A 9 9.564 6.192 -0.909 1.00 0.00 C ATOM 87 C PRO A 9 8.481 5.665 0.035 1.00 0.00 C ATOM 88 O PRO A 9 8.092 6.347 0.981 1.00 0.00 O ATOM 89 CB PRO A 9 10.972 5.971 -0.380 1.00 0.00 C ATOM 90 CG PRO A 9 11.429 7.316 0.163 1.00 0.00 C ATOM 91 CD PRO A 9 10.469 8.376 -0.351 1.00 0.00 C ATOM 0 HA PRO A 9 9.411 5.643 -1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.981 5.211 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.636 5.623 -1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.437 7.305 1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.447 7.533 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.032 8.945 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.977 9.090 -0.999 1.00 0.00 H new ATOM 99 N ILE A 10 8.026 4.455 -0.256 1.00 0.00 N ATOM 100 CA ILE A 10 6.996 3.828 0.554 1.00 0.00 C ATOM 101 C ILE A 10 7.459 2.430 0.968 1.00 0.00 C ATOM 102 O ILE A 10 8.304 1.830 0.305 1.00 0.00 O ATOM 103 CB ILE A 10 5.655 3.839 -0.182 1.00 0.00 C ATOM 104 CG1 ILE A 10 5.076 5.254 -0.247 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.675 2.848 0.449 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.990 5.353 -1.320 1.00 0.00 C ATOM 0 H ILE A 10 8.352 3.892 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 10 6.835 4.395 1.471 1.00 0.00 H new ATOM 0 HB ILE A 10 5.827 3.514 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.660 5.525 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.872 5.967 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.730 2.876 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.092 1.842 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.504 3.119 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.595 6.369 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.415 5.105 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.185 4.656 -1.088 1.00 0.00 H new ATOM 118 N ILE A 11 6.885 1.951 2.062 1.00 0.00 N ATOM 119 CA ILE A 11 7.229 0.634 2.572 1.00 0.00 C ATOM 120 C ILE A 11 5.948 -0.111 2.952 1.00 0.00 C ATOM 121 O ILE A 11 5.033 0.475 3.530 1.00 0.00 O ATOM 122 CB ILE A 11 8.236 0.749 3.718 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.552 1.361 3.231 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.451 -0.604 4.397 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.375 1.895 4.405 1.00 0.00 C ATOM 0 H ILE A 11 6.184 2.451 2.609 1.00 0.00 H new ATOM 0 HA ILE A 11 7.725 0.045 1.801 1.00 0.00 H new ATOM 0 HB ILE A 11 7.824 1.424 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.128 0.610 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.344 2.170 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.171 -0.494 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.504 -0.964 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.831 -1.320 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.305 2.324 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.806 2.662 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.602 1.079 5.091 1.00 0.00 H new ATOM 137 N VAL A 12 5.923 -1.391 2.613 1.00 0.00 N ATOM 138 CA VAL A 12 4.769 -2.222 2.911 1.00 0.00 C ATOM 139 C VAL A 12 5.223 -3.456 3.694 1.00 0.00 C ATOM 140 O VAL A 12 6.331 -3.951 3.491 1.00 0.00 O ATOM 141 CB VAL A 12 4.028 -2.573 1.619 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.657 -3.182 1.921 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.896 -1.348 0.713 1.00 0.00 C ATOM 0 H VAL A 12 6.684 -1.873 2.135 1.00 0.00 H new ATOM 0 HA VAL A 12 4.061 -1.681 3.539 1.00 0.00 H new ATOM 0 HB VAL A 12 4.617 -3.321 1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.152 -3.422 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.784 -4.091 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.057 -2.467 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.366 -1.625 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.340 -0.568 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.888 -0.976 0.457 1.00 0.00 H new ATOM 153 N LYS A 13 4.345 -3.917 4.572 1.00 0.00 N ATOM 154 CA LYS A 13 4.642 -5.084 5.386 1.00 0.00 C ATOM 155 C LYS A 13 3.531 -6.121 5.208 1.00 0.00 C ATOM 156 O LYS A 13 2.393 -5.893 5.616 1.00 0.00 O ATOM 157 CB LYS A 13 4.875 -4.676 6.842 1.00 0.00 C ATOM 158 CG LYS A 13 6.235 -3.995 7.009 1.00 0.00 C ATOM 159 CD LYS A 13 6.820 -4.274 8.395 1.00 0.00 C ATOM 160 CE LYS A 13 7.834 -3.197 8.789 1.00 0.00 C ATOM 161 NZ LYS A 13 7.459 -2.580 10.080 1.00 0.00 N ATOM 0 H LYS A 13 3.427 -3.504 4.738 1.00 0.00 H new ATOM 0 HA LYS A 13 5.570 -5.551 5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.083 -4.000 7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.824 -5.556 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.922 -4.352 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.128 -2.920 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.018 -4.310 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.302 -5.252 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.829 -3.636 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.881 -2.432 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.319 -2.313 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.882 -1.732 9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.911 -3.261 10.644 1.00 0.00 H new ATOM 175 N TRP A 14 3.900 -7.238 4.599 1.00 0.00 N ATOM 176 CA TRP A 14 2.948 -8.310 4.362 1.00 0.00 C ATOM 177 C TRP A 14 3.349 -9.500 5.237 1.00 0.00 C ATOM 178 O TRP A 14 4.390 -10.116 5.014 1.00 0.00 O ATOM 179 CB TRP A 14 2.876 -8.661 2.874 1.00 0.00 C ATOM 180 CG TRP A 14 1.774 -9.662 2.524 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.590 -9.831 3.128 1.00 0.00 C ATOM 182 CD2 TRP A 14 1.802 -10.633 1.456 1.00 0.00 C ATOM 183 NE1 TRP A 14 -0.145 -10.835 2.530 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.616 -11.338 1.481 1.00 0.00 C ATOM 185 CE3 TRP A 14 2.797 -10.906 0.501 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.314 -12.362 0.575 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.479 -11.932 -0.397 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.290 -12.652 -0.385 1.00 0.00 C ATOM 0 H TRP A 14 4.845 -7.424 4.263 1.00 0.00 H new ATOM 0 HA TRP A 14 1.940 -7.998 4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.717 -7.746 2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.837 -9.069 2.561 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.253 -9.254 3.976 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -1.075 -11.150 2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 14 3.732 -10.367 0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.622 -12.899 0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.209 -12.182 -1.153 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.120 -13.431 -1.113 1.00 0.00 H new ATOM 199 N GLY A 15 2.502 -9.785 6.215 1.00 0.00 N ATOM 200 CA GLY A 15 2.755 -10.890 7.125 1.00 0.00 C ATOM 201 C GLY A 15 4.090 -10.708 7.851 1.00 0.00 C ATOM 202 O GLY A 15 4.126 -10.218 8.978 1.00 0.00 O ATOM 0 H GLY A 15 1.640 -9.271 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.947 -10.958 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.764 -11.828 6.570 1.00 0.00 H new ATOM 206 N GLY A 16 5.154 -11.112 7.174 1.00 0.00 N ATOM 207 CA GLY A 16 6.488 -11.000 7.739 1.00 0.00 C ATOM 208 C GLY A 16 7.504 -10.592 6.671 1.00 0.00 C ATOM 209 O GLY A 16 8.689 -10.901 6.786 1.00 0.00 O ATOM 0 H GLY A 16 5.120 -11.518 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.485 -10.264 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.781 -11.953 8.180 1.00 0.00 H new ATOM 213 N GLN A 17 7.004 -9.904 5.656 1.00 0.00 N ATOM 214 CA GLN A 17 7.853 -9.450 4.568 1.00 0.00 C ATOM 215 C GLN A 17 7.680 -7.946 4.351 1.00 0.00 C ATOM 216 O GLN A 17 6.599 -7.403 4.574 1.00 0.00 O ATOM 217 CB GLN A 17 7.559 -10.226 3.282 1.00 0.00 C ATOM 218 CG GLN A 17 8.592 -11.334 3.062 1.00 0.00 C ATOM 219 CD GLN A 17 8.377 -12.024 1.713 1.00 0.00 C ATOM 220 OE1 GLN A 17 8.219 -11.391 0.682 1.00 0.00 O ATOM 221 NE2 GLN A 17 8.378 -13.352 1.779 1.00 0.00 N ATOM 0 H GLN A 17 6.021 -9.650 5.564 1.00 0.00 H new ATOM 0 HA GLN A 17 8.891 -9.641 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.561 -10.660 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.565 -9.544 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.597 -10.913 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.521 -12.067 3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.516 -13.818 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.241 -13.905 0.933 1.00 0.00 H new ATOM 230 N GLU A 18 8.762 -7.314 3.919 1.00 0.00 N ATOM 231 CA GLU A 18 8.743 -5.883 3.670 1.00 0.00 C ATOM 232 C GLU A 18 8.958 -5.600 2.182 1.00 0.00 C ATOM 233 O GLU A 18 9.739 -6.285 1.523 1.00 0.00 O ATOM 234 CB GLU A 18 9.792 -5.164 4.522 1.00 0.00 C ATOM 235 CG GLU A 18 9.513 -5.357 6.013 1.00 0.00 C ATOM 236 CD GLU A 18 10.817 -5.458 6.807 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.460 -4.400 6.980 1.00 0.00 O ATOM 238 OE2 GLU A 18 11.141 -6.591 7.223 1.00 0.00 O ATOM 0 H GLU A 18 9.657 -7.767 3.735 1.00 0.00 H new ATOM 0 HA GLU A 18 7.764 -5.497 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.784 -5.545 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.793 -4.100 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.920 -4.522 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.922 -6.260 6.162 1.00 0.00 H new ATOM 245 N TYR A 19 8.251 -4.590 1.696 1.00 0.00 N ATOM 246 CA TYR A 19 8.354 -4.209 0.298 1.00 0.00 C ATOM 247 C TYR A 19 8.544 -2.697 0.155 1.00 0.00 C ATOM 248 O TYR A 19 7.810 -1.916 0.757 1.00 0.00 O ATOM 249 CB TYR A 19 7.026 -4.607 -0.347 1.00 0.00 C ATOM 250 CG TYR A 19 6.716 -6.103 -0.262 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.351 -6.665 0.944 1.00 0.00 C ATOM 252 CD2 TYR A 19 6.802 -6.891 -1.393 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.060 -8.073 1.024 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.511 -8.299 -1.313 1.00 0.00 C ATOM 255 CZ TYR A 19 6.155 -8.820 -0.108 1.00 0.00 C ATOM 256 OH TYR A 19 5.880 -10.150 -0.033 1.00 0.00 O ATOM 0 H TYR A 19 7.605 -4.024 2.246 1.00 0.00 H new ATOM 0 HA TYR A 19 9.209 -4.697 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.220 -4.052 0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.039 -4.308 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.284 -6.049 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.087 -6.451 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.773 -8.525 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.574 -8.927 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 19 6.715 -10.651 0.078 1.00 0.00 H new ATOM 266 N SER A 20 9.534 -2.331 -0.646 1.00 0.00 N ATOM 267 CA SER A 20 9.830 -0.927 -0.876 1.00 0.00 C ATOM 268 C SER A 20 9.163 -0.457 -2.170 1.00 0.00 C ATOM 269 O SER A 20 9.061 -1.217 -3.132 1.00 0.00 O ATOM 270 CB SER A 20 11.340 -0.685 -0.939 1.00 0.00 C ATOM 271 OG SER A 20 11.965 -1.470 -1.950 1.00 0.00 O ATOM 0 H SER A 20 10.141 -2.982 -1.144 1.00 0.00 H new ATOM 0 HA SER A 20 9.432 -0.352 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.530 0.371 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.785 -0.919 0.028 1.00 0.00 H new ATOM 0 HG SER A 20 12.927 -1.286 -1.959 1.00 0.00 H new ATOM 277 N VAL A 21 8.728 0.794 -2.154 1.00 0.00 N ATOM 278 CA VAL A 21 8.074 1.375 -3.314 1.00 0.00 C ATOM 279 C VAL A 21 8.675 2.753 -3.596 1.00 0.00 C ATOM 280 O VAL A 21 8.521 3.677 -2.799 1.00 0.00 O ATOM 281 CB VAL A 21 6.560 1.416 -3.095 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.886 2.350 -4.103 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.958 0.011 -3.161 1.00 0.00 C ATOM 0 H VAL A 21 8.816 1.422 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 21 8.245 0.759 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 21 6.376 1.812 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.811 2.361 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.283 3.358 -3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.083 1.996 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.881 0.069 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.158 -0.425 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.406 -0.613 -2.388 1.00 0.00 H new ATOM 293 N THR A 22 9.347 2.848 -4.734 1.00 0.00 N ATOM 294 CA THR A 22 9.972 4.098 -5.132 1.00 0.00 C ATOM 295 C THR A 22 9.861 4.293 -6.645 1.00 0.00 C ATOM 296 O THR A 22 10.766 4.840 -7.273 1.00 0.00 O ATOM 297 CB THR A 22 11.416 4.087 -4.625 1.00 0.00 C ATOM 298 OG1 THR A 22 11.969 2.897 -5.181 1.00 0.00 O ATOM 299 CG2 THR A 22 11.505 3.869 -3.114 1.00 0.00 C ATOM 0 H THR A 22 9.472 2.080 -5.393 1.00 0.00 H new ATOM 0 HA THR A 22 9.462 4.953 -4.688 1.00 0.00 H new ATOM 0 HB THR A 22 11.899 5.029 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.905 2.811 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.551 3.870 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.975 4.670 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.052 2.911 -2.857 1.00 0.00 H new ATOM 307 N THR A 23 8.742 3.834 -7.187 1.00 0.00 N ATOM 308 CA THR A 23 8.500 3.950 -8.615 1.00 0.00 C ATOM 309 C THR A 23 7.433 5.011 -8.891 1.00 0.00 C ATOM 310 O THR A 23 7.546 5.778 -9.846 1.00 0.00 O ATOM 311 CB THR A 23 8.131 2.564 -9.147 1.00 0.00 C ATOM 312 OG1 THR A 23 9.365 1.852 -9.148 1.00 0.00 O ATOM 313 CG2 THR A 23 7.716 2.593 -10.620 1.00 0.00 C ATOM 0 H THR A 23 7.993 3.381 -6.663 1.00 0.00 H new ATOM 0 HA THR A 23 9.393 4.288 -9.141 1.00 0.00 H new ATOM 0 HB THR A 23 7.319 2.151 -8.549 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.217 0.941 -9.478 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.465 1.584 -10.947 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.848 3.241 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.540 2.975 -11.223 1.00 0.00 H new ATOM 321 N LEU A 24 6.420 5.021 -8.037 1.00 0.00 N ATOM 322 CA LEU A 24 5.333 5.975 -8.176 1.00 0.00 C ATOM 323 C LEU A 24 5.588 7.170 -7.256 1.00 0.00 C ATOM 324 O LEU A 24 6.440 7.106 -6.371 1.00 0.00 O ATOM 325 CB LEU A 24 3.986 5.291 -7.935 1.00 0.00 C ATOM 326 CG LEU A 24 3.971 4.196 -6.867 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.637 4.179 -6.117 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.303 2.832 -7.474 1.00 0.00 C ATOM 0 H LEU A 24 6.329 4.383 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 24 5.292 6.359 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.259 6.053 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.648 4.858 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 24 4.749 4.422 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.653 3.391 -5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.480 5.142 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.826 3.991 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.285 2.072 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.566 2.584 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.295 2.866 -7.925 1.00 0.00 H new ATOM 340 N SER A 25 4.835 8.233 -7.497 1.00 0.00 N ATOM 341 CA SER A 25 4.969 9.442 -6.701 1.00 0.00 C ATOM 342 C SER A 25 3.589 9.942 -6.273 1.00 0.00 C ATOM 343 O SER A 25 2.578 9.296 -6.546 1.00 0.00 O ATOM 344 CB SER A 25 5.712 10.532 -7.476 1.00 0.00 C ATOM 345 OG SER A 25 6.973 10.077 -7.960 1.00 0.00 O ATOM 0 H SER A 25 4.130 8.283 -8.232 1.00 0.00 H new ATOM 0 HA SER A 25 5.553 9.203 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.099 10.862 -8.315 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.862 11.398 -6.831 1.00 0.00 H new ATOM 0 HG SER A 25 7.416 10.801 -8.451 1.00 0.00 H new ATOM 351 N GLU A 26 3.590 11.089 -5.610 1.00 0.00 N ATOM 352 CA GLU A 26 2.350 11.684 -5.141 1.00 0.00 C ATOM 353 C GLU A 26 1.302 11.673 -6.256 1.00 0.00 C ATOM 354 O GLU A 26 0.143 11.332 -6.020 1.00 0.00 O ATOM 355 CB GLU A 26 2.584 13.104 -4.623 1.00 0.00 C ATOM 356 CG GLU A 26 3.551 13.102 -3.437 1.00 0.00 C ATOM 357 CD GLU A 26 4.813 13.907 -3.756 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.701 15.151 -3.781 1.00 0.00 O ATOM 359 OE2 GLU A 26 5.860 13.258 -3.968 1.00 0.00 O ATOM 0 H GLU A 26 4.430 11.622 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 26 1.975 11.087 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.986 13.725 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.634 13.546 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.058 13.524 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.823 12.077 -3.187 1.00 0.00 H new ATOM 366 N ASP A 27 1.745 12.051 -7.445 1.00 0.00 N ATOM 367 CA ASP A 27 0.860 12.089 -8.597 1.00 0.00 C ATOM 368 C ASP A 27 0.009 10.818 -8.623 1.00 0.00 C ATOM 369 O ASP A 27 -1.212 10.881 -8.496 1.00 0.00 O ATOM 370 CB ASP A 27 1.656 12.152 -9.902 1.00 0.00 C ATOM 371 CG ASP A 27 0.809 12.198 -11.175 1.00 0.00 C ATOM 372 OD1 ASP A 27 -0.324 12.719 -11.084 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.312 11.710 -12.210 1.00 0.00 O ATOM 0 H ASP A 27 2.706 12.334 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 27 0.235 12.978 -8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.296 13.034 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.313 11.283 -9.952 1.00 0.00 H new ATOM 378 N ASP A 28 0.689 9.692 -8.788 1.00 0.00 N ATOM 379 CA ASP A 28 0.011 8.408 -8.833 1.00 0.00 C ATOM 380 C ASP A 28 -1.018 8.340 -7.703 1.00 0.00 C ATOM 381 O ASP A 28 -0.991 9.157 -6.784 1.00 0.00 O ATOM 382 CB ASP A 28 1.000 7.256 -8.641 1.00 0.00 C ATOM 383 CG ASP A 28 1.693 6.779 -9.919 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.255 7.650 -10.618 1.00 0.00 O ATOM 385 OD2 ASP A 28 1.645 5.555 -10.168 1.00 0.00 O ATOM 0 H ASP A 28 1.702 9.643 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.468 8.314 -9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.762 7.567 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.471 6.413 -8.196 1.00 0.00 H new ATOM 390 N THR A 29 -1.902 7.359 -7.809 1.00 0.00 N ATOM 391 CA THR A 29 -2.938 7.174 -6.807 1.00 0.00 C ATOM 392 C THR A 29 -2.801 5.801 -6.145 1.00 0.00 C ATOM 393 O THR A 29 -2.038 4.957 -6.611 1.00 0.00 O ATOM 394 CB THR A 29 -4.293 7.389 -7.484 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.347 6.375 -8.485 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.351 8.697 -8.276 1.00 0.00 C ATOM 0 H THR A 29 -1.922 6.684 -8.573 1.00 0.00 H new ATOM 0 HA THR A 29 -2.842 7.900 -6.000 1.00 0.00 H new ATOM 0 HB THR A 29 -5.080 7.386 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.195 6.441 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.334 8.800 -8.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.175 9.537 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.586 8.686 -9.052 1.00 0.00 H new ATOM 404 N VAL A 30 -3.552 5.622 -5.068 1.00 0.00 N ATOM 405 CA VAL A 30 -3.523 4.367 -4.337 1.00 0.00 C ATOM 406 C VAL A 30 -3.628 3.203 -5.325 1.00 0.00 C ATOM 407 O VAL A 30 -2.918 2.207 -5.195 1.00 0.00 O ATOM 408 CB VAL A 30 -4.628 4.353 -3.278 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.671 3.009 -2.548 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.454 5.508 -2.290 1.00 0.00 C ATOM 0 H VAL A 30 -4.184 6.325 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.578 4.257 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.582 4.488 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.465 3.026 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.865 2.211 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.714 2.831 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.252 5.475 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.490 5.417 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.496 6.456 -2.827 1.00 0.00 H new ATOM 420 N LEU A 31 -4.520 3.368 -6.291 1.00 0.00 N ATOM 421 CA LEU A 31 -4.727 2.344 -7.301 1.00 0.00 C ATOM 422 C LEU A 31 -3.373 1.905 -7.862 1.00 0.00 C ATOM 423 O LEU A 31 -3.030 0.725 -7.813 1.00 0.00 O ATOM 424 CB LEU A 31 -5.705 2.835 -8.370 1.00 0.00 C ATOM 425 CG LEU A 31 -6.164 1.791 -9.390 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.292 0.928 -8.822 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.559 2.453 -10.712 1.00 0.00 C ATOM 0 H LEU A 31 -5.107 4.195 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.190 1.462 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.586 3.238 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.239 3.660 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.325 1.127 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.599 0.194 -9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.941 0.412 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.141 1.562 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.881 1.689 -11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.375 3.154 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.702 2.988 -11.121 1.00 0.00 H new ATOM 439 N ASP A 32 -2.640 2.879 -8.380 1.00 0.00 N ATOM 440 CA ASP A 32 -1.331 2.608 -8.950 1.00 0.00 C ATOM 441 C ASP A 32 -0.539 1.714 -7.994 1.00 0.00 C ATOM 442 O ASP A 32 -0.090 0.634 -8.376 1.00 0.00 O ATOM 443 CB ASP A 32 -0.539 3.902 -9.151 1.00 0.00 C ATOM 444 CG ASP A 32 -0.946 4.725 -10.375 1.00 0.00 C ATOM 445 OD1 ASP A 32 -1.455 4.104 -11.333 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.740 5.957 -10.325 1.00 0.00 O ATOM 0 H ASP A 32 -2.927 3.857 -8.417 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.477 2.121 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.652 4.521 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.519 3.654 -9.234 1.00 0.00 H new ATOM 451 N LEU A 33 -0.391 2.196 -6.769 1.00 0.00 N ATOM 452 CA LEU A 33 0.339 1.454 -5.755 1.00 0.00 C ATOM 453 C LEU A 33 -0.209 0.028 -5.680 1.00 0.00 C ATOM 454 O LEU A 33 0.544 -0.938 -5.799 1.00 0.00 O ATOM 455 CB LEU A 33 0.306 2.197 -4.418 1.00 0.00 C ATOM 456 CG LEU A 33 1.311 1.728 -3.364 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.719 2.234 -3.686 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.863 2.136 -1.960 1.00 0.00 C ATOM 0 H LEU A 33 -0.764 3.092 -6.455 1.00 0.00 H new ATOM 0 HA LEU A 33 1.393 1.378 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.478 3.256 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.697 2.108 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 33 1.347 0.639 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.414 1.887 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.029 1.852 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.718 3.324 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.595 1.790 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.781 3.222 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.106 1.687 -1.743 1.00 0.00 H new ATOM 470 N LYS A 34 -1.516 -0.060 -5.482 1.00 0.00 N ATOM 471 CA LYS A 34 -2.174 -1.352 -5.389 1.00 0.00 C ATOM 472 C LYS A 34 -1.815 -2.192 -6.617 1.00 0.00 C ATOM 473 O LYS A 34 -1.239 -3.271 -6.488 1.00 0.00 O ATOM 474 CB LYS A 34 -3.680 -1.173 -5.186 1.00 0.00 C ATOM 475 CG LYS A 34 -3.975 -0.476 -3.857 1.00 0.00 C ATOM 476 CD LYS A 34 -5.473 -0.209 -3.698 1.00 0.00 C ATOM 477 CE LYS A 34 -5.924 -0.452 -2.256 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.260 -1.090 -2.231 1.00 0.00 N ATOM 0 H LYS A 34 -2.137 0.743 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.820 -1.897 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.094 -0.588 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.172 -2.146 -5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.623 -1.095 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.427 0.465 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.695 0.819 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.035 -0.856 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.201 -1.088 -1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.956 0.493 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.580 -1.186 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.936 -0.502 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.204 -2.031 -2.670 1.00 0.00 H new ATOM 492 N GLN A 35 -2.169 -1.664 -7.779 1.00 0.00 N ATOM 493 CA GLN A 35 -1.891 -2.352 -9.029 1.00 0.00 C ATOM 494 C GLN A 35 -0.451 -2.870 -9.041 1.00 0.00 C ATOM 495 O GLN A 35 -0.192 -3.984 -9.492 1.00 0.00 O ATOM 496 CB GLN A 35 -2.155 -1.439 -10.228 1.00 0.00 C ATOM 497 CG GLN A 35 -3.651 -1.362 -10.539 1.00 0.00 C ATOM 498 CD GLN A 35 -3.891 -1.182 -12.039 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.119 -1.622 -12.875 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.001 -0.510 -12.333 1.00 0.00 N ATOM 0 H GLN A 35 -2.646 -0.768 -7.882 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.564 -3.205 -9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.771 -0.440 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.617 -1.813 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.145 -2.271 -10.195 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.097 -0.530 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.604 -0.169 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.249 -0.336 -13.307 1.00 0.00 H new ATOM 509 N PHE A 36 0.448 -2.035 -8.539 1.00 0.00 N ATOM 510 CA PHE A 36 1.855 -2.395 -8.487 1.00 0.00 C ATOM 511 C PHE A 36 2.114 -3.439 -7.399 1.00 0.00 C ATOM 512 O PHE A 36 2.916 -4.352 -7.587 1.00 0.00 O ATOM 513 CB PHE A 36 2.630 -1.120 -8.148 1.00 0.00 C ATOM 514 CG PHE A 36 4.135 -1.221 -8.401 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.597 -1.556 -9.636 1.00 0.00 C ATOM 516 CD2 PHE A 36 5.012 -0.976 -7.391 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.994 -1.651 -9.870 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.410 -1.070 -7.625 1.00 0.00 C ATOM 519 CZ PHE A 36 6.871 -1.405 -8.860 1.00 0.00 C ATOM 0 H PHE A 36 0.229 -1.111 -8.165 1.00 0.00 H new ATOM 0 HA PHE A 36 2.166 -2.819 -9.442 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.228 -0.295 -8.736 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.464 -0.874 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.901 -1.750 -10.439 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.646 -0.710 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.360 -1.919 -10.850 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.106 -0.876 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.934 -1.476 -9.039 1.00 0.00 H new ATOM 529 N LEU A 37 1.418 -3.269 -6.283 1.00 0.00 N ATOM 530 CA LEU A 37 1.563 -4.186 -5.165 1.00 0.00 C ATOM 531 C LEU A 37 1.093 -5.579 -5.588 1.00 0.00 C ATOM 532 O LEU A 37 1.446 -6.575 -4.959 1.00 0.00 O ATOM 533 CB LEU A 37 0.841 -3.642 -3.930 1.00 0.00 C ATOM 534 CG LEU A 37 1.440 -2.381 -3.304 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.347 -1.494 -2.705 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.517 -2.737 -2.277 1.00 0.00 C ATOM 0 H LEU A 37 0.753 -2.511 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 37 2.611 -4.277 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.194 -3.433 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.819 -4.425 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 37 1.925 -1.806 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.800 -0.605 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.351 -1.198 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.188 -2.047 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.926 -1.823 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.078 -3.345 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.314 -3.297 -2.765 1.00 0.00 H new ATOM 548 N LYS A 38 0.304 -5.604 -6.652 1.00 0.00 N ATOM 549 CA LYS A 38 -0.219 -6.858 -7.167 1.00 0.00 C ATOM 550 C LYS A 38 0.926 -7.670 -7.777 1.00 0.00 C ATOM 551 O LYS A 38 0.822 -8.887 -7.918 1.00 0.00 O ATOM 552 CB LYS A 38 -1.374 -6.600 -8.136 1.00 0.00 C ATOM 553 CG LYS A 38 -2.100 -7.902 -8.482 1.00 0.00 C ATOM 554 CD LYS A 38 -3.472 -7.617 -9.097 1.00 0.00 C ATOM 555 CE LYS A 38 -3.452 -7.841 -10.611 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.554 -6.551 -11.327 1.00 0.00 N ATOM 0 H LYS A 38 0.014 -4.776 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.640 -7.456 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.076 -5.895 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.993 -6.139 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.498 -8.484 -9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.219 -8.507 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.221 -8.264 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.765 -6.589 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.532 -8.351 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.279 -8.490 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.539 -6.721 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.444 -6.079 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.751 -5.944 -11.065 1.00 0.00 H new ATOM 570 N THR A 39 1.992 -6.963 -8.124 1.00 0.00 N ATOM 571 CA THR A 39 3.154 -7.602 -8.715 1.00 0.00 C ATOM 572 C THR A 39 4.227 -7.847 -7.652 1.00 0.00 C ATOM 573 O THR A 39 5.061 -8.739 -7.801 1.00 0.00 O ATOM 574 CB THR A 39 3.636 -6.727 -9.874 1.00 0.00 C ATOM 575 OG1 THR A 39 4.605 -7.534 -10.539 1.00 0.00 O ATOM 576 CG2 THR A 39 4.430 -5.509 -9.398 1.00 0.00 C ATOM 0 H THR A 39 2.074 -5.953 -8.007 1.00 0.00 H new ATOM 0 HA THR A 39 2.905 -8.586 -9.113 1.00 0.00 H new ATOM 0 HB THR A 39 2.778 -6.395 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.968 -7.044 -11.306 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.748 -4.923 -10.260 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.802 -4.895 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.307 -5.841 -8.842 1.00 0.00 H new ATOM 584 N LEU A 40 4.170 -7.040 -6.603 1.00 0.00 N ATOM 585 CA LEU A 40 5.127 -7.159 -5.516 1.00 0.00 C ATOM 586 C LEU A 40 4.837 -8.435 -4.724 1.00 0.00 C ATOM 587 O LEU A 40 5.750 -9.200 -4.416 1.00 0.00 O ATOM 588 CB LEU A 40 5.124 -5.890 -4.660 1.00 0.00 C ATOM 589 CG LEU A 40 5.506 -4.595 -5.379 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.265 -3.379 -4.483 1.00 0.00 C ATOM 591 CD2 LEU A 40 6.947 -4.655 -5.889 1.00 0.00 C ATOM 0 H LEU A 40 3.477 -6.302 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 40 6.140 -7.250 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.129 -5.765 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.811 -6.036 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 40 4.861 -4.485 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.545 -2.472 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.210 -3.330 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.868 -3.468 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.193 -3.722 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.625 -4.800 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.052 -5.486 -6.587 1.00 0.00 H new ATOM 603 N THR A 41 3.562 -8.626 -4.417 1.00 0.00 N ATOM 604 CA THR A 41 3.140 -9.797 -3.667 1.00 0.00 C ATOM 605 C THR A 41 2.459 -10.807 -4.593 1.00 0.00 C ATOM 606 O THR A 41 2.991 -11.889 -4.835 1.00 0.00 O ATOM 607 CB THR A 41 2.245 -9.326 -2.519 1.00 0.00 C ATOM 608 OG1 THR A 41 1.121 -8.743 -3.172 1.00 0.00 O ATOM 609 CG2 THR A 41 2.862 -8.168 -1.733 1.00 0.00 C ATOM 0 H THR A 41 2.808 -7.989 -4.674 1.00 0.00 H new ATOM 0 HA THR A 41 3.994 -10.321 -3.239 1.00 0.00 H new ATOM 0 HB THR A 41 2.051 -10.160 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.399 -7.924 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.186 -7.872 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.815 -8.484 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.025 -7.322 -2.400 1.00 0.00 H new ATOM 617 N GLY A 42 1.293 -10.417 -5.085 1.00 0.00 N ATOM 618 CA GLY A 42 0.534 -11.275 -5.980 1.00 0.00 C ATOM 619 C GLY A 42 -0.895 -11.472 -5.468 1.00 0.00 C ATOM 620 O GLY A 42 -1.436 -12.575 -5.537 1.00 0.00 O ATOM 0 H GLY A 42 0.855 -9.519 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.510 -10.836 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.029 -12.242 -6.070 1.00 0.00 H new ATOM 624 N VAL A 43 -1.465 -10.387 -4.967 1.00 0.00 N ATOM 625 CA VAL A 43 -2.820 -10.427 -4.445 1.00 0.00 C ATOM 626 C VAL A 43 -3.659 -9.346 -5.131 1.00 0.00 C ATOM 627 O VAL A 43 -3.128 -8.323 -5.560 1.00 0.00 O ATOM 628 CB VAL A 43 -2.798 -10.288 -2.921 1.00 0.00 C ATOM 629 CG1 VAL A 43 -4.218 -10.228 -2.355 1.00 0.00 C ATOM 630 CG2 VAL A 43 -2.000 -11.425 -2.279 1.00 0.00 C ATOM 0 H VAL A 43 -1.013 -9.474 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.285 -11.388 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.301 -9.349 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.173 -10.129 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.742 -9.370 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.752 -11.142 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.000 -11.303 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.457 -12.381 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.974 -11.402 -2.647 1.00 0.00 H new ATOM 640 N LEU A 44 -4.954 -9.611 -5.213 1.00 0.00 N ATOM 641 CA LEU A 44 -5.871 -8.674 -5.840 1.00 0.00 C ATOM 642 C LEU A 44 -5.880 -7.367 -5.046 1.00 0.00 C ATOM 643 O LEU A 44 -5.675 -7.372 -3.833 1.00 0.00 O ATOM 644 CB LEU A 44 -7.256 -9.306 -6.000 1.00 0.00 C ATOM 645 CG LEU A 44 -7.298 -10.658 -6.715 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.728 -11.198 -6.784 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.652 -10.567 -8.099 1.00 0.00 C ATOM 0 H LEU A 44 -5.390 -10.461 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.537 -8.432 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.695 -9.427 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.891 -8.609 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.713 -11.370 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.729 -12.160 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.118 -11.325 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.357 -10.495 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.695 -11.541 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.188 -9.836 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.612 -10.259 -7.995 1.00 0.00 H new ATOM 659 N PRO A 45 -6.126 -6.249 -5.780 1.00 0.00 N ATOM 660 CA PRO A 45 -6.164 -4.937 -5.157 1.00 0.00 C ATOM 661 C PRO A 45 -7.459 -4.744 -4.366 1.00 0.00 C ATOM 662 O PRO A 45 -7.489 -3.992 -3.392 1.00 0.00 O ATOM 663 CB PRO A 45 -6.017 -3.952 -6.306 1.00 0.00 C ATOM 664 CG PRO A 45 -6.368 -4.726 -7.566 1.00 0.00 C ATOM 665 CD PRO A 45 -6.373 -6.205 -7.219 1.00 0.00 C ATOM 0 HA PRO A 45 -5.369 -4.795 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.681 -3.097 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.001 -3.561 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.344 -4.419 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.643 -4.521 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.327 -6.668 -7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.602 -6.744 -7.770 1.00 0.00 H new ATOM 673 N GLU A 46 -8.497 -5.434 -4.813 1.00 0.00 N ATOM 674 CA GLU A 46 -9.792 -5.348 -4.159 1.00 0.00 C ATOM 675 C GLU A 46 -9.787 -6.161 -2.863 1.00 0.00 C ATOM 676 O GLU A 46 -10.693 -6.032 -2.041 1.00 0.00 O ATOM 677 CB GLU A 46 -10.911 -5.812 -5.093 1.00 0.00 C ATOM 678 CG GLU A 46 -10.771 -7.300 -5.418 1.00 0.00 C ATOM 679 CD GLU A 46 -12.059 -7.849 -6.038 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.803 -7.030 -6.617 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.269 -9.075 -5.917 1.00 0.00 O ATOM 0 H GLU A 46 -8.468 -6.056 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.982 -4.304 -3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.879 -5.627 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.885 -5.231 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.939 -7.449 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.536 -7.854 -4.509 1.00 0.00 H new ATOM 688 N ARG A 47 -8.756 -6.981 -2.720 1.00 0.00 N ATOM 689 CA ARG A 47 -8.621 -7.815 -1.538 1.00 0.00 C ATOM 690 C ARG A 47 -7.493 -7.293 -0.646 1.00 0.00 C ATOM 691 O ARG A 47 -7.470 -7.565 0.554 1.00 0.00 O ATOM 692 CB ARG A 47 -8.329 -9.268 -1.920 1.00 0.00 C ATOM 693 CG ARG A 47 -9.500 -9.878 -2.692 1.00 0.00 C ATOM 694 CD ARG A 47 -9.626 -11.376 -2.405 1.00 0.00 C ATOM 695 NE ARG A 47 -10.448 -12.025 -3.451 1.00 0.00 N ATOM 696 CZ ARG A 47 -10.549 -13.351 -3.612 1.00 0.00 C ATOM 697 NH1 ARG A 47 -9.881 -14.178 -2.795 1.00 0.00 N ATOM 698 NH2 ARG A 47 -11.318 -13.851 -4.588 1.00 0.00 N ATOM 0 H ARG A 47 -8.006 -7.086 -3.403 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.565 -7.776 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.425 -9.313 -2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.138 -9.853 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.425 -9.372 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.357 -9.720 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.637 -11.833 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.080 -11.530 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.970 -11.425 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.296 -13.797 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.958 -15.188 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.827 -13.222 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.395 -14.861 -4.710 1.00 0.00 H new ATOM 712 N GLN A 48 -6.586 -6.552 -1.265 1.00 0.00 N ATOM 713 CA GLN A 48 -5.459 -5.990 -0.542 1.00 0.00 C ATOM 714 C GLN A 48 -5.943 -4.945 0.466 1.00 0.00 C ATOM 715 O GLN A 48 -6.604 -3.978 0.093 1.00 0.00 O ATOM 716 CB GLN A 48 -4.434 -5.388 -1.506 1.00 0.00 C ATOM 717 CG GLN A 48 -3.344 -6.405 -1.853 1.00 0.00 C ATOM 718 CD GLN A 48 -2.181 -5.733 -2.584 1.00 0.00 C ATOM 719 OE1 GLN A 48 -1.076 -5.622 -2.078 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.489 -5.292 -3.801 1.00 0.00 N ATOM 0 H GLN A 48 -6.609 -6.328 -2.260 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.966 -6.794 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.935 -5.061 -2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.982 -4.504 -1.056 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.980 -6.879 -0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.763 -7.194 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.434 -5.417 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.780 -4.829 -4.370 1.00 0.00 H new ATOM 729 N LYS A 49 -5.594 -5.177 1.723 1.00 0.00 N ATOM 730 CA LYS A 49 -5.984 -4.268 2.788 1.00 0.00 C ATOM 731 C LYS A 49 -4.748 -3.524 3.296 1.00 0.00 C ATOM 732 O LYS A 49 -3.705 -4.132 3.530 1.00 0.00 O ATOM 733 CB LYS A 49 -6.743 -5.020 3.883 1.00 0.00 C ATOM 734 CG LYS A 49 -8.146 -4.441 4.075 1.00 0.00 C ATOM 735 CD LYS A 49 -8.080 -2.967 4.481 1.00 0.00 C ATOM 736 CE LYS A 49 -7.146 -2.769 5.676 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.735 -1.814 6.641 1.00 0.00 N ATOM 0 H LYS A 49 -5.046 -5.981 2.028 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.677 -3.515 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.814 -6.076 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.190 -4.960 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.715 -4.542 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.676 -5.009 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.731 -2.369 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.079 -2.610 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.965 -3.726 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.180 -2.399 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.027 -1.096 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.560 -1.349 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.033 -2.324 7.497 1.00 0.00 H new ATOM 751 N LEU A 50 -4.906 -2.217 3.451 1.00 0.00 N ATOM 752 CA LEU A 50 -3.815 -1.383 3.927 1.00 0.00 C ATOM 753 C LEU A 50 -4.028 -1.071 5.409 1.00 0.00 C ATOM 754 O LEU A 50 -4.897 -0.275 5.761 1.00 0.00 O ATOM 755 CB LEU A 50 -3.671 -0.138 3.050 1.00 0.00 C ATOM 756 CG LEU A 50 -3.334 -0.388 1.579 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.745 0.866 0.930 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.412 -1.599 1.426 1.00 0.00 C ATOM 0 H LEU A 50 -5.772 -1.716 3.255 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.866 -1.913 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.603 0.425 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.894 0.495 3.478 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.259 -0.619 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.514 0.661 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.468 1.680 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.833 1.152 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.188 -1.755 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.485 -1.422 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.905 -2.485 1.827 1.00 0.00 H new ATOM 770 N LEU A 51 -3.219 -1.714 6.239 1.00 0.00 N ATOM 771 CA LEU A 51 -3.307 -1.514 7.675 1.00 0.00 C ATOM 772 C LEU A 51 -2.274 -0.471 8.106 1.00 0.00 C ATOM 773 O LEU A 51 -1.072 -0.732 8.072 1.00 0.00 O ATOM 774 CB LEU A 51 -3.177 -2.850 8.411 1.00 0.00 C ATOM 775 CG LEU A 51 -4.257 -3.151 9.451 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.647 -3.161 8.812 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.957 -4.456 10.191 1.00 0.00 C ATOM 0 H LEU A 51 -2.499 -2.374 5.944 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.287 -1.121 7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.179 -3.651 7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.206 -2.876 8.906 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.249 -2.351 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.396 -3.377 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.851 -2.186 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.686 -3.927 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.740 -4.647 10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.920 -5.279 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.996 -4.374 10.699 1.00 0.00 H new ATOM 789 N GLY A 52 -2.779 0.688 8.501 1.00 0.00 N ATOM 790 CA GLY A 52 -1.915 1.771 8.937 1.00 0.00 C ATOM 791 C GLY A 52 -2.547 3.132 8.639 1.00 0.00 C ATOM 792 O GLY A 52 -2.599 4.001 9.508 1.00 0.00 O ATOM 0 H GLY A 52 -3.776 0.901 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.725 1.681 10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.951 1.696 8.434 1.00 0.00 H new ATOM 796 N LEU A 53 -3.014 3.274 7.407 1.00 0.00 N ATOM 797 CA LEU A 53 -3.641 4.514 6.982 1.00 0.00 C ATOM 798 C LEU A 53 -5.125 4.263 6.708 1.00 0.00 C ATOM 799 O LEU A 53 -5.472 3.450 5.852 1.00 0.00 O ATOM 800 CB LEU A 53 -2.889 5.116 5.793 1.00 0.00 C ATOM 801 CG LEU A 53 -3.053 4.387 4.458 1.00 0.00 C ATOM 802 CD1 LEU A 53 -4.063 5.107 3.562 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.702 4.202 3.765 1.00 0.00 C ATOM 0 H LEU A 53 -2.971 2.550 6.689 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.585 5.260 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.218 6.147 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.828 5.149 6.039 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.451 3.392 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.161 4.569 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.031 5.144 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.717 6.122 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.847 3.681 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.253 5.177 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.042 3.615 4.404 1.00 0.00 H new ATOM 815 N LYS A 54 -5.960 4.974 7.450 1.00 0.00 N ATOM 816 CA LYS A 54 -7.399 4.838 7.297 1.00 0.00 C ATOM 817 C LYS A 54 -8.033 6.228 7.225 1.00 0.00 C ATOM 818 O LYS A 54 -7.363 7.233 7.456 1.00 0.00 O ATOM 819 CB LYS A 54 -7.974 3.957 8.408 1.00 0.00 C ATOM 820 CG LYS A 54 -7.835 2.474 8.058 1.00 0.00 C ATOM 821 CD LYS A 54 -8.021 1.598 9.299 1.00 0.00 C ATOM 822 CE LYS A 54 -6.924 1.868 10.330 1.00 0.00 C ATOM 823 NZ LYS A 54 -6.384 0.596 10.859 1.00 0.00 N ATOM 0 H LYS A 54 -5.668 5.646 8.159 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.637 4.330 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.457 4.163 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.025 4.201 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.574 2.204 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.853 2.290 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.998 1.792 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.005 0.547 9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.122 2.448 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.325 2.467 11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.640 0.798 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.148 0.057 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.983 0.038 10.078 1.00 0.00 H new ATOM 837 N VAL A 55 -9.318 6.241 6.902 1.00 0.00 N ATOM 838 CA VAL A 55 -10.051 7.491 6.796 1.00 0.00 C ATOM 839 C VAL A 55 -11.432 7.324 7.432 1.00 0.00 C ATOM 840 O VAL A 55 -12.325 6.723 6.836 1.00 0.00 O ATOM 841 CB VAL A 55 -10.116 7.937 5.334 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.115 9.082 5.154 1.00 0.00 C ATOM 843 CG2 VAL A 55 -8.731 8.332 4.818 1.00 0.00 C ATOM 0 H VAL A 55 -9.870 5.405 6.710 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.536 8.282 7.341 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.465 7.091 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.142 9.380 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.107 8.752 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.809 9.931 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.806 8.645 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.341 9.155 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.058 7.478 4.893 1.00 0.00 H new ATOM 853 N LYS A 56 -11.565 7.865 8.634 1.00 0.00 N ATOM 854 CA LYS A 56 -12.822 7.783 9.357 1.00 0.00 C ATOM 855 C LYS A 56 -13.426 6.390 9.166 1.00 0.00 C ATOM 856 O LYS A 56 -14.615 6.259 8.883 1.00 0.00 O ATOM 857 CB LYS A 56 -13.757 8.921 8.938 1.00 0.00 C ATOM 858 CG LYS A 56 -14.220 8.745 7.491 1.00 0.00 C ATOM 859 CD LYS A 56 -15.595 9.379 7.274 1.00 0.00 C ATOM 860 CE LYS A 56 -16.498 8.461 6.449 1.00 0.00 C ATOM 861 NZ LYS A 56 -17.330 9.254 5.516 1.00 0.00 N ATOM 0 H LYS A 56 -10.822 8.362 9.125 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.655 7.915 10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.623 8.948 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.244 9.877 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.495 9.200 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.262 7.684 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.061 9.583 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.482 10.336 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.890 7.750 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.138 7.879 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.937 8.615 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.924 9.915 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.714 9.790 4.871 1.00 0.00 H new ATOM 875 N GLY A 57 -12.577 5.386 9.330 1.00 0.00 N ATOM 876 CA GLY A 57 -13.012 4.007 9.180 1.00 0.00 C ATOM 877 C GLY A 57 -12.267 3.320 8.034 1.00 0.00 C ATOM 878 O GLY A 57 -11.254 2.658 8.256 1.00 0.00 O ATOM 0 H GLY A 57 -11.591 5.499 9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.838 3.464 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.085 3.979 8.990 1.00 0.00 H new ATOM 882 N LYS A 58 -12.797 3.500 6.833 1.00 0.00 N ATOM 883 CA LYS A 58 -12.195 2.905 5.652 1.00 0.00 C ATOM 884 C LYS A 58 -11.043 3.789 5.172 1.00 0.00 C ATOM 885 O LYS A 58 -11.042 4.996 5.409 1.00 0.00 O ATOM 886 CB LYS A 58 -13.258 2.644 4.583 1.00 0.00 C ATOM 887 CG LYS A 58 -14.211 1.529 5.017 1.00 0.00 C ATOM 888 CD LYS A 58 -13.671 0.156 4.609 1.00 0.00 C ATOM 889 CE LYS A 58 -14.802 -0.869 4.507 1.00 0.00 C ATOM 890 NZ LYS A 58 -14.253 -2.243 4.456 1.00 0.00 N ATOM 0 H LYS A 58 -13.637 4.050 6.652 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.770 1.930 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.823 3.557 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.776 2.370 3.645 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.348 1.563 6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.191 1.687 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.158 0.233 3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.935 -0.181 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.470 -0.769 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.397 -0.675 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.034 -2.926 4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.634 -2.339 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.705 -2.430 5.320 1.00 0.00 H new ATOM 904 N PRO A 59 -10.065 3.138 4.486 1.00 0.00 N ATOM 905 CA PRO A 59 -8.910 3.853 3.970 1.00 0.00 C ATOM 906 C PRO A 59 -9.280 4.672 2.732 1.00 0.00 C ATOM 907 O PRO A 59 -10.280 4.390 2.073 1.00 0.00 O ATOM 908 CB PRO A 59 -7.878 2.775 3.683 1.00 0.00 C ATOM 909 CG PRO A 59 -8.649 1.468 3.608 1.00 0.00 C ATOM 910 CD PRO A 59 -10.034 1.710 4.186 1.00 0.00 C ATOM 0 HA PRO A 59 -8.517 4.585 4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.355 2.974 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.123 2.738 4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.721 1.126 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.133 0.688 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.813 1.438 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.199 1.113 5.083 1.00 0.00 H new ATOM 918 N ALA A 60 -8.455 5.670 2.454 1.00 0.00 N ATOM 919 CA ALA A 60 -8.682 6.532 1.306 1.00 0.00 C ATOM 920 C ALA A 60 -9.110 5.679 0.110 1.00 0.00 C ATOM 921 O ALA A 60 -8.828 4.482 0.064 1.00 0.00 O ATOM 922 CB ALA A 60 -7.419 7.346 1.020 1.00 0.00 C ATOM 0 H ALA A 60 -7.628 5.901 3.004 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.485 7.240 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.590 7.992 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.175 7.957 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.591 6.670 0.808 1.00 0.00 H new ATOM 928 N GLU A 61 -9.783 6.328 -0.828 1.00 0.00 N ATOM 929 CA GLU A 61 -10.252 5.644 -2.022 1.00 0.00 C ATOM 930 C GLU A 61 -9.069 5.258 -2.912 1.00 0.00 C ATOM 931 O GLU A 61 -7.935 5.654 -2.649 1.00 0.00 O ATOM 932 CB GLU A 61 -11.257 6.506 -2.788 1.00 0.00 C ATOM 933 CG GLU A 61 -12.542 6.699 -1.981 1.00 0.00 C ATOM 934 CD GLU A 61 -13.658 5.789 -2.500 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.705 4.629 -2.037 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.437 6.274 -3.347 1.00 0.00 O ATOM 0 H GLU A 61 -10.015 7.320 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.764 4.731 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.814 7.477 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.491 6.036 -3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.351 6.483 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.860 7.740 -2.040 1.00 0.00 H new ATOM 943 N ASN A 62 -9.374 4.489 -3.947 1.00 0.00 N ATOM 944 CA ASN A 62 -8.350 4.046 -4.877 1.00 0.00 C ATOM 945 C ASN A 62 -7.977 5.202 -5.807 1.00 0.00 C ATOM 946 O ASN A 62 -6.806 5.385 -6.136 1.00 0.00 O ATOM 947 CB ASN A 62 -8.855 2.888 -5.741 1.00 0.00 C ATOM 948 CG ASN A 62 -9.423 1.763 -4.873 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.519 1.868 -3.661 1.00 0.00 O ATOM 950 ND2 ASN A 62 -9.792 0.685 -5.559 1.00 0.00 N ATOM 0 H ASN A 62 -10.316 4.162 -4.162 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.488 3.715 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.624 3.248 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.039 2.503 -6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.183 -0.121 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.684 0.664 -6.573 1.00 0.00 H new ATOM 957 N ASP A 63 -8.994 5.951 -6.205 1.00 0.00 N ATOM 958 CA ASP A 63 -8.787 7.085 -7.091 1.00 0.00 C ATOM 959 C ASP A 63 -8.468 8.327 -6.257 1.00 0.00 C ATOM 960 O ASP A 63 -9.032 9.395 -6.487 1.00 0.00 O ATOM 961 CB ASP A 63 -10.044 7.378 -7.913 1.00 0.00 C ATOM 962 CG ASP A 63 -10.223 6.502 -9.155 1.00 0.00 C ATOM 963 OD1 ASP A 63 -10.651 5.341 -8.974 1.00 0.00 O ATOM 964 OD2 ASP A 63 -9.929 7.013 -10.257 1.00 0.00 O ATOM 0 H ASP A 63 -9.964 5.795 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.964 6.842 -7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.916 7.255 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.022 8.423 -8.224 1.00 0.00 H new ATOM 969 N VAL A 64 -7.564 8.145 -5.305 1.00 0.00 N ATOM 970 CA VAL A 64 -7.163 9.238 -4.436 1.00 0.00 C ATOM 971 C VAL A 64 -5.671 9.518 -4.631 1.00 0.00 C ATOM 972 O VAL A 64 -4.908 8.620 -4.985 1.00 0.00 O ATOM 973 CB VAL A 64 -7.525 8.912 -2.985 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.549 9.580 -2.014 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.968 9.315 -2.677 1.00 0.00 C ATOM 0 H VAL A 64 -7.098 7.257 -5.117 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.702 10.150 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.443 7.833 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.828 9.333 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.538 9.223 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.584 10.661 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.200 9.073 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.088 10.387 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.646 8.773 -3.337 1.00 0.00 H new ATOM 985 N LYS A 65 -5.300 10.767 -4.392 1.00 0.00 N ATOM 986 CA LYS A 65 -3.913 11.176 -4.537 1.00 0.00 C ATOM 987 C LYS A 65 -3.163 10.891 -3.234 1.00 0.00 C ATOM 988 O LYS A 65 -3.437 11.510 -2.208 1.00 0.00 O ATOM 989 CB LYS A 65 -3.830 12.636 -4.988 1.00 0.00 C ATOM 990 CG LYS A 65 -3.488 12.732 -6.476 1.00 0.00 C ATOM 991 CD LYS A 65 -2.080 13.296 -6.679 1.00 0.00 C ATOM 992 CE LYS A 65 -2.092 14.450 -7.684 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.333 15.605 -7.155 1.00 0.00 N ATOM 0 H LYS A 65 -5.935 11.509 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.424 10.596 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.781 13.134 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.073 13.159 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.558 11.745 -6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.215 13.369 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.682 13.643 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.416 12.507 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.656 14.123 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.120 14.747 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.351 16.379 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.766 15.927 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.348 15.322 -6.978 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.231 9.954 -3.319 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.438 9.579 -2.160 1.00 0.00 C ATOM 1009 C LEU A 66 -0.855 10.839 -1.518 1.00 0.00 C ATOM 1010 O LEU A 66 -0.612 10.870 -0.312 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.383 8.540 -2.545 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.916 7.222 -3.111 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.119 6.794 -4.345 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.937 6.133 -2.036 1.00 0.00 C ATOM 0 H LEU A 66 -2.007 9.443 -4.173 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.065 9.098 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.285 8.985 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.218 8.317 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.946 7.379 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.518 5.855 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.199 7.562 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.928 6.660 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.320 5.207 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.074 5.970 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.580 6.446 -1.214 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.647 11.848 -2.352 1.00 0.00 N ATOM 1027 CA GLY A 67 -0.096 13.107 -1.880 1.00 0.00 C ATOM 1028 C GLY A 67 -1.138 13.898 -1.086 1.00 0.00 C ATOM 1029 O GLY A 67 -0.812 14.524 -0.079 1.00 0.00 O ATOM 0 H GLY A 67 -0.850 11.819 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.775 12.915 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.246 13.699 -2.729 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.370 13.843 -1.570 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.462 14.547 -0.918 1.00 0.00 C ATOM 1035 C ALA A 68 -3.518 14.139 0.556 1.00 0.00 C ATOM 1036 O ALA A 68 -4.023 14.887 1.391 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.771 14.253 -1.654 1.00 0.00 C ATOM 0 H ALA A 68 -2.637 13.322 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.301 15.624 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.590 14.781 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.690 14.587 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.967 13.181 -1.634 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.991 12.955 0.829 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.975 12.439 2.188 1.00 0.00 C ATOM 1045 C LEU A 69 -1.770 13.016 2.933 1.00 0.00 C ATOM 1046 O LEU A 69 -1.808 13.177 4.152 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.018 10.910 2.180 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.412 10.278 2.169 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.303 10.897 3.248 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.045 10.373 0.779 1.00 0.00 C ATOM 0 H LEU A 69 -2.572 12.338 0.133 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.867 12.758 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.473 10.556 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.483 10.547 3.057 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.309 9.219 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.288 10.430 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.854 10.735 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.403 11.967 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.035 9.917 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.134 11.420 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.418 9.850 0.057 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.728 13.312 2.170 1.00 0.00 N ATOM 1063 CA LYS A 70 0.486 13.868 2.743 1.00 0.00 C ATOM 1064 C LYS A 70 0.899 13.035 3.958 1.00 0.00 C ATOM 1065 O LYS A 70 0.939 13.542 5.078 1.00 0.00 O ATOM 1066 CB LYS A 70 0.301 15.355 3.051 1.00 0.00 C ATOM 1067 CG LYS A 70 0.960 16.224 1.977 1.00 0.00 C ATOM 1068 CD LYS A 70 2.485 16.135 2.061 1.00 0.00 C ATOM 1069 CE LYS A 70 3.077 17.416 2.654 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.412 17.149 3.234 1.00 0.00 N ATOM 0 H LYS A 70 -0.699 13.177 1.159 1.00 0.00 H new ATOM 0 HA LYS A 70 1.305 13.814 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.762 15.588 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.733 15.585 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.627 15.904 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.645 17.260 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.770 15.280 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.898 15.965 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.156 18.179 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.412 17.809 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.800 18.028 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.327 16.436 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.049 16.795 2.492 1.00 0.00 H new ATOM 1084 N LEU A 71 1.195 11.771 3.695 1.00 0.00 N ATOM 1085 CA LEU A 71 1.604 10.863 4.754 1.00 0.00 C ATOM 1086 C LEU A 71 3.088 11.077 5.059 1.00 0.00 C ATOM 1087 O LEU A 71 3.747 11.890 4.413 1.00 0.00 O ATOM 1088 CB LEU A 71 1.254 9.419 4.386 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.203 9.161 3.997 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.289 8.328 2.717 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.974 8.518 5.152 1.00 0.00 C ATOM 0 H LEU A 71 1.160 11.354 2.765 1.00 0.00 H new ATOM 0 HA LEU A 71 1.056 11.076 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.891 9.112 3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.502 8.779 5.232 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.676 10.121 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.335 8.159 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.201 8.861 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.206 7.369 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.007 8.345 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.509 7.568 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.956 9.182 6.016 1.00 0.00 H new ATOM 1103 N LYS A 72 3.570 10.332 6.043 1.00 0.00 N ATOM 1104 CA LYS A 72 4.964 10.431 6.442 1.00 0.00 C ATOM 1105 C LYS A 72 5.830 9.654 5.448 1.00 0.00 C ATOM 1106 O LYS A 72 5.338 8.768 4.751 1.00 0.00 O ATOM 1107 CB LYS A 72 5.139 9.980 7.894 1.00 0.00 C ATOM 1108 CG LYS A 72 4.398 10.915 8.851 1.00 0.00 C ATOM 1109 CD LYS A 72 4.717 10.574 10.308 1.00 0.00 C ATOM 1110 CE LYS A 72 3.849 9.415 10.803 1.00 0.00 C ATOM 1111 NZ LYS A 72 3.255 9.738 12.119 1.00 0.00 N ATOM 0 H LYS A 72 3.020 9.658 6.576 1.00 0.00 H new ATOM 0 HA LYS A 72 5.296 11.469 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.764 8.963 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.199 9.960 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.679 11.948 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.324 10.837 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.770 10.310 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.552 11.450 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.059 9.211 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.451 8.510 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.669 8.941 12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.013 9.911 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.664 10.590 12.034 1.00 0.00 H new ATOM 1125 N PRO A 73 7.138 10.024 5.414 1.00 0.00 N ATOM 1126 CA PRO A 73 8.077 9.372 4.517 1.00 0.00 C ATOM 1127 C PRO A 73 8.449 7.979 5.031 1.00 0.00 C ATOM 1128 O PRO A 73 8.378 7.717 6.230 1.00 0.00 O ATOM 1129 CB PRO A 73 9.268 10.314 4.442 1.00 0.00 C ATOM 1130 CG PRO A 73 9.154 11.227 5.651 1.00 0.00 C ATOM 1131 CD PRO A 73 7.756 11.069 6.225 1.00 0.00 C ATOM 0 HA PRO A 73 7.660 9.198 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.206 9.759 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.254 10.889 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.905 10.967 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.334 12.263 5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.790 10.786 7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.195 12.002 6.164 1.00 0.00 H new ATOM 1139 N ASN A 74 8.836 7.124 4.096 1.00 0.00 N ATOM 1140 CA ASN A 74 9.219 5.764 4.439 1.00 0.00 C ATOM 1141 C ASN A 74 8.245 5.212 5.481 1.00 0.00 C ATOM 1142 O ASN A 74 8.648 4.493 6.394 1.00 0.00 O ATOM 1143 CB ASN A 74 10.626 5.723 5.039 1.00 0.00 C ATOM 1144 CG ASN A 74 10.860 6.913 5.972 1.00 0.00 C ATOM 1145 OD1 ASN A 74 11.110 8.029 5.546 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.765 6.614 7.264 1.00 0.00 N ATOM 0 H ASN A 74 8.893 7.346 3.102 1.00 0.00 H new ATOM 0 HA ASN A 74 9.198 5.168 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.763 4.792 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.367 5.732 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.904 7.340 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.553 5.659 7.552 1.00 0.00 H new ATOM 1153 N THR A 75 6.980 5.569 5.310 1.00 0.00 N ATOM 1154 CA THR A 75 5.945 5.118 6.224 1.00 0.00 C ATOM 1155 C THR A 75 5.679 3.623 6.034 1.00 0.00 C ATOM 1156 O THR A 75 5.040 3.222 5.062 1.00 0.00 O ATOM 1157 CB THR A 75 4.706 5.989 6.003 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.978 7.174 6.746 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.457 5.409 6.668 1.00 0.00 C ATOM 0 H THR A 75 6.649 6.166 4.552 1.00 0.00 H new ATOM 0 HA THR A 75 6.258 5.231 7.262 1.00 0.00 H new ATOM 0 HB THR A 75 4.528 6.102 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.942 7.246 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.607 6.065 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.251 4.421 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.622 5.327 7.742 1.00 0.00 H new ATOM 1167 N LYS A 76 6.182 2.840 6.977 1.00 0.00 N ATOM 1168 CA LYS A 76 6.007 1.399 6.925 1.00 0.00 C ATOM 1169 C LYS A 76 4.559 1.053 7.275 1.00 0.00 C ATOM 1170 O LYS A 76 4.160 1.138 8.436 1.00 0.00 O ATOM 1171 CB LYS A 76 7.039 0.702 7.813 1.00 0.00 C ATOM 1172 CG LYS A 76 8.463 1.088 7.408 1.00 0.00 C ATOM 1173 CD LYS A 76 9.437 0.886 8.570 1.00 0.00 C ATOM 1174 CE LYS A 76 9.958 -0.552 8.604 1.00 0.00 C ATOM 1175 NZ LYS A 76 11.281 -0.609 9.267 1.00 0.00 N ATOM 0 H LYS A 76 6.711 3.177 7.782 1.00 0.00 H new ATOM 0 HA LYS A 76 6.188 1.029 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.868 0.972 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.917 -0.379 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.778 0.486 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.484 2.130 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.274 1.578 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.939 1.119 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.251 -1.189 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.036 -0.941 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.620 -1.592 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.957 -0.017 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.196 -0.258 10.242 1.00 0.00 H new ATOM 1189 N ILE A 77 3.811 0.669 6.251 1.00 0.00 N ATOM 1190 CA ILE A 77 2.416 0.309 6.437 1.00 0.00 C ATOM 1191 C ILE A 77 2.275 -1.214 6.388 1.00 0.00 C ATOM 1192 O ILE A 77 3.226 -1.918 6.052 1.00 0.00 O ATOM 1193 CB ILE A 77 1.534 1.041 5.423 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.695 0.443 4.024 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.813 2.545 5.439 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.606 -0.594 3.742 1.00 0.00 C ATOM 0 H ILE A 77 4.145 0.599 5.290 1.00 0.00 H new ATOM 0 HA ILE A 77 2.068 0.630 7.419 1.00 0.00 H new ATOM 0 HB ILE A 77 0.493 0.904 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.649 1.236 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.677 -0.022 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.173 3.042 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.607 2.943 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.858 2.724 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.744 -1.003 2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.671 -1.398 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.373 -0.120 3.809 1.00 0.00 H new ATOM 1208 N MET A 78 1.081 -1.677 6.726 1.00 0.00 N ATOM 1209 CA MET A 78 0.803 -3.103 6.725 1.00 0.00 C ATOM 1210 C MET A 78 -0.113 -3.483 5.560 1.00 0.00 C ATOM 1211 O MET A 78 -0.945 -2.682 5.134 1.00 0.00 O ATOM 1212 CB MET A 78 0.140 -3.496 8.046 1.00 0.00 C ATOM 1213 CG MET A 78 0.981 -4.529 8.797 1.00 0.00 C ATOM 1214 SD MET A 78 2.024 -3.714 9.995 1.00 0.00 S ATOM 1215 CE MET A 78 1.226 -4.233 11.505 1.00 0.00 C ATOM 0 H MET A 78 0.294 -1.090 7.003 1.00 0.00 H new ATOM 0 HA MET A 78 1.746 -3.637 6.610 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.006 -2.610 8.667 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.853 -3.902 7.852 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.330 -5.246 9.298 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.593 -5.092 8.093 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.754 -3.810 12.360 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.193 -3.886 11.508 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.243 -5.321 11.570 1.00 0.00 H new ATOM 1225 N MET A 79 0.069 -4.703 5.078 1.00 0.00 N ATOM 1226 CA MET A 79 -0.731 -5.198 3.971 1.00 0.00 C ATOM 1227 C MET A 79 -1.432 -6.507 4.343 1.00 0.00 C ATOM 1228 O MET A 79 -0.824 -7.390 4.946 1.00 0.00 O ATOM 1229 CB MET A 79 0.167 -5.428 2.754 1.00 0.00 C ATOM 1230 CG MET A 79 -0.665 -5.580 1.479 1.00 0.00 C ATOM 1231 SD MET A 79 0.281 -6.434 0.230 1.00 0.00 S ATOM 1232 CE MET A 79 -0.348 -8.090 0.442 1.00 0.00 C ATOM 0 H MET A 79 0.759 -5.364 5.434 1.00 0.00 H new ATOM 0 HA MET A 79 -1.492 -4.454 3.736 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.858 -4.592 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.771 -6.322 2.907 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.579 -6.133 1.695 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.965 -4.599 1.112 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.427 -8.810 0.179 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.642 -8.237 1.481 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.213 -8.236 -0.204 1.00 0.00 H new ATOM 1242 N MET A 80 -2.700 -6.589 3.968 1.00 0.00 N ATOM 1243 CA MET A 80 -3.489 -7.775 4.255 1.00 0.00 C ATOM 1244 C MET A 80 -4.049 -8.385 2.968 1.00 0.00 C ATOM 1245 O MET A 80 -4.761 -7.717 2.219 1.00 0.00 O ATOM 1246 CB MET A 80 -4.643 -7.406 5.190 1.00 0.00 C ATOM 1247 CG MET A 80 -4.120 -6.955 6.555 1.00 0.00 C ATOM 1248 SD MET A 80 -5.130 -5.626 7.186 1.00 0.00 S ATOM 1249 CE MET A 80 -6.753 -6.324 6.936 1.00 0.00 C ATOM 0 H MET A 80 -3.200 -5.854 3.468 1.00 0.00 H new ATOM 0 HA MET A 80 -2.844 -8.512 4.733 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.237 -6.609 4.743 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.303 -8.264 5.315 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.129 -7.793 7.252 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.085 -6.626 6.466 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.511 -5.574 7.162 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.856 -6.643 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.885 -7.183 7.594 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.707 -9.646 2.751 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.166 -10.353 1.568 1.00 0.00 C ATOM 1261 C GLY A 81 -3.591 -11.770 1.518 1.00 0.00 C ATOM 1262 O GLY A 81 -2.543 -12.039 2.103 1.00 0.00 O ATOM 0 H GLY A 81 -3.117 -10.197 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.255 -10.398 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.869 -9.804 0.674 1.00 0.00 H new ATOM 1266 N THR A 82 -4.302 -12.639 0.814 1.00 0.00 N ATOM 1267 CA THR A 82 -3.875 -14.021 0.681 1.00 0.00 C ATOM 1268 C THR A 82 -3.422 -14.303 -0.753 1.00 0.00 C ATOM 1269 O THR A 82 -4.087 -13.903 -1.708 1.00 0.00 O ATOM 1270 CB THR A 82 -5.025 -14.918 1.142 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.169 -14.382 0.483 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.339 -14.749 2.630 1.00 0.00 C ATOM 0 H THR A 82 -5.171 -12.412 0.330 1.00 0.00 H new ATOM 0 HA THR A 82 -3.009 -14.230 1.310 1.00 0.00 H new ATOM 0 HB THR A 82 -4.776 -15.960 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.961 -14.906 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.162 -15.408 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.458 -15.004 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.621 -13.715 2.827 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.295 -14.990 -0.860 1.00 0.00 N ATOM 1281 CA ARG A 83 -1.745 -15.331 -2.161 1.00 0.00 C ATOM 1282 C ARG A 83 -2.673 -16.304 -2.891 1.00 0.00 C ATOM 1283 O ARG A 83 -3.359 -17.106 -2.258 1.00 0.00 O ATOM 1284 CB ARG A 83 -0.359 -15.963 -2.026 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.453 -17.365 -1.421 1.00 0.00 C ATOM 1286 CD ARG A 83 0.887 -17.793 -0.819 1.00 0.00 C ATOM 1287 NE ARG A 83 0.661 -18.734 0.301 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.215 -19.989 0.150 1.00 0.00 C ATOM 1289 NH1 ARG A 83 -0.056 -20.460 -1.074 1.00 0.00 N ATOM 1290 NH2 ARG A 83 0.040 -20.771 1.224 1.00 0.00 N ATOM 0 H ARG A 83 -1.747 -15.320 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.656 -14.408 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.117 -16.017 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.272 -15.334 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.224 -17.382 -0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.755 -18.077 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.504 -18.266 -1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.432 -16.918 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 83 0.857 -18.407 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.077 -19.864 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.395 -21.415 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.246 -20.411 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.299 -21.726 1.110 1.00 0.00 H new ATOM 1304 N GLU A 84 -2.666 -16.202 -4.212 1.00 0.00 N ATOM 1305 CA GLU A 84 -3.498 -17.063 -5.034 1.00 0.00 C ATOM 1306 C GLU A 84 -4.955 -16.600 -4.982 1.00 0.00 C ATOM 1307 O GLU A 84 -5.569 -16.586 -3.916 1.00 0.00 O ATOM 1308 CB GLU A 84 -3.372 -18.525 -4.600 1.00 0.00 C ATOM 1309 CG GLU A 84 -3.329 -19.456 -5.813 1.00 0.00 C ATOM 1310 CD GLU A 84 -4.530 -20.403 -5.821 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -4.520 -21.339 -4.992 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -5.431 -20.170 -6.655 1.00 0.00 O ATOM 0 H GLU A 84 -2.097 -15.535 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.151 -16.993 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.468 -18.655 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.214 -18.792 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.321 -18.865 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.405 -20.035 -5.799 1.00 0.00 H new ATOM 1319 N SER A 85 -5.467 -16.231 -6.147 1.00 0.00 N ATOM 1320 CA SER A 85 -6.841 -15.768 -6.248 1.00 0.00 C ATOM 1321 C SER A 85 -7.794 -16.963 -6.297 1.00 0.00 C ATOM 1322 O SER A 85 -7.576 -17.904 -7.059 1.00 0.00 O ATOM 1323 CB SER A 85 -7.035 -14.883 -7.481 1.00 0.00 C ATOM 1324 OG SER A 85 -6.102 -13.807 -7.519 1.00 0.00 O ATOM 0 H SER A 85 -4.955 -16.243 -7.029 1.00 0.00 H new ATOM 0 HA SER A 85 -7.065 -15.169 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.928 -15.488 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.049 -14.484 -7.484 1.00 0.00 H new ATOM 0 HG SER A 85 -5.912 -13.571 -8.451 1.00 0.00 H new ATOM 1330 N GLY A 86 -8.830 -16.888 -5.475 1.00 0.00 N ATOM 1331 CA GLY A 86 -9.817 -17.952 -5.415 1.00 0.00 C ATOM 1332 C GLY A 86 -9.810 -18.631 -4.043 1.00 0.00 C ATOM 1333 O GLY A 86 -9.644 -17.968 -3.020 1.00 0.00 O ATOM 0 H GLY A 86 -9.007 -16.106 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.808 -17.546 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.610 -18.689 -6.191 1.00 0.00 H new ATOM 1337 N PRO A 87 -9.996 -19.978 -4.067 1.00 0.00 N ATOM 1338 CA PRO A 87 -10.012 -20.753 -2.839 1.00 0.00 C ATOM 1339 C PRO A 87 -8.598 -20.923 -2.279 1.00 0.00 C ATOM 1340 O PRO A 87 -7.730 -21.494 -2.939 1.00 0.00 O ATOM 1341 CB PRO A 87 -10.665 -22.073 -3.215 1.00 0.00 C ATOM 1342 CG PRO A 87 -10.568 -22.169 -4.728 1.00 0.00 C ATOM 1343 CD PRO A 87 -10.195 -20.795 -5.260 1.00 0.00 C ATOM 0 HA PRO A 87 -10.568 -20.263 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.157 -22.910 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.704 -22.102 -2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.819 -22.906 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.517 -22.497 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.290 -20.837 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -10.984 -20.387 -5.892 1.00 0.00 H new ATOM 1351 N SER A 88 -8.410 -20.419 -1.069 1.00 0.00 N ATOM 1352 CA SER A 88 -7.116 -20.509 -0.413 1.00 0.00 C ATOM 1353 C SER A 88 -6.986 -21.853 0.305 1.00 0.00 C ATOM 1354 O SER A 88 -7.938 -22.326 0.923 1.00 0.00 O ATOM 1355 CB SER A 88 -6.918 -19.357 0.575 1.00 0.00 C ATOM 1356 OG SER A 88 -5.572 -18.890 0.587 1.00 0.00 O ATOM 0 H SER A 88 -9.132 -19.947 -0.525 1.00 0.00 H new ATOM 0 HA SER A 88 -6.340 -20.435 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.585 -18.535 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.197 -19.686 1.576 1.00 0.00 H new ATOM 0 HG SER A 88 -5.487 -18.154 1.228 1.00 0.00 H new ATOM 1362 N SER A 89 -5.798 -22.431 0.201 1.00 0.00 N ATOM 1363 CA SER A 89 -5.530 -23.711 0.833 1.00 0.00 C ATOM 1364 C SER A 89 -5.261 -23.512 2.326 1.00 0.00 C ATOM 1365 O SER A 89 -4.110 -23.385 2.741 1.00 0.00 O ATOM 1366 CB SER A 89 -4.345 -24.416 0.170 1.00 0.00 C ATOM 1367 OG SER A 89 -3.884 -25.524 0.938 1.00 0.00 O ATOM 0 H SER A 89 -5.010 -22.036 -0.312 1.00 0.00 H new ATOM 0 HA SER A 89 -6.409 -24.343 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.637 -24.759 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.530 -23.705 0.034 1.00 0.00 H new ATOM 0 HG SER A 89 -3.128 -25.948 0.480 1.00 0.00 H new ATOM 1373 N GLY A 90 -6.342 -23.490 3.091 1.00 0.00 N ATOM 1374 CA GLY A 90 -6.238 -23.308 4.529 1.00 0.00 C ATOM 1375 C GLY A 90 -7.298 -22.329 5.037 1.00 0.00 C ATOM 1376 O GLY A 90 -7.832 -22.499 6.131 1.00 0.00 O ATOM 0 H GLY A 90 -7.295 -23.595 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.356 -24.269 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.245 -22.937 4.781 1.00 0.00 H new TER 1380 GLY A 90