USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 5 GLN : amide:sc= -5.6 K(o=-12,f=-8.1!) USER MOD Set 1.2: A 89 GLN : amide:sc= -5.96! C(o=-12!,f=-8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.00431 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0888 USER MOD Single : A 20 THR OG1 : rot -69:sc= -0.243 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -1.48 (180deg=-5.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -62:sc= -9.02! USER MOD Single : A 44 MET CE :methyl 140:sc= -2.33 (180deg=-5.06!) USER MOD Single : A 50 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.79) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.17 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot -59:sc= -2.65! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 1.08 K(o=1.1,f=-1.7!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= -0.25 (180deg=-0.252) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -3.57 K(o=-3.6,f=-12!) USER MOD Single : A 105 ASN : amide:sc= -0.08 X(o=-0.08,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.976 -1.476 -11.462 1.00 0.00 N ATOM 2 CA MET A 1 -13.567 -0.086 -11.561 1.00 0.00 C ATOM 3 C MET A 1 -12.218 0.040 -12.272 1.00 0.00 C ATOM 4 O MET A 1 -11.591 -0.965 -12.603 1.00 0.00 O ATOM 5 CB MET A 1 -13.462 0.518 -10.159 1.00 0.00 C ATOM 6 CG MET A 1 -14.482 1.641 -9.967 1.00 0.00 C ATOM 7 SD MET A 1 -15.819 1.081 -8.925 1.00 0.00 S ATOM 8 CE MET A 1 -17.166 2.031 -9.610 1.00 0.00 C ATOM 0 H1 MET A 1 -14.699 -1.573 -10.721 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.370 -1.788 -12.373 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.152 -2.064 -11.222 1.00 0.00 H new ATOM 0 HA MET A 1 -14.316 0.451 -12.143 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.626 -0.258 -9.412 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.456 0.905 -10.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.999 2.509 -9.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.872 1.958 -10.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.085 1.801 -9.071 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.946 3.094 -9.515 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.290 1.779 -10.663 1.00 0.00 H new ATOM 16 N PRO A 2 -11.799 1.315 -12.492 1.00 0.00 N ATOM 17 CA PRO A 2 -10.537 1.584 -13.158 1.00 0.00 C ATOM 18 C PRO A 2 -9.356 1.323 -12.221 1.00 0.00 C ATOM 19 O PRO A 2 -8.515 0.469 -12.501 1.00 0.00 O ATOM 20 CB PRO A 2 -10.630 3.034 -13.606 1.00 0.00 C ATOM 21 CG PRO A 2 -11.738 3.658 -12.773 1.00 0.00 C ATOM 22 CD PRO A 2 -12.516 2.530 -12.114 1.00 0.00 C ATOM 0 HA PRO A 2 -10.363 0.928 -14.011 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.684 3.553 -13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.857 3.100 -14.670 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.320 4.325 -12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.395 4.259 -13.401 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.547 2.651 -11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.549 2.505 -12.462 1.00 0.00 H new ATOM 27 N VAL A 3 -9.332 2.072 -11.128 1.00 0.00 N ATOM 28 CA VAL A 3 -8.268 1.931 -10.149 1.00 0.00 C ATOM 29 C VAL A 3 -8.800 2.309 -8.766 1.00 0.00 C ATOM 30 O VAL A 3 -8.194 3.116 -8.062 1.00 0.00 O ATOM 31 CB VAL A 3 -7.054 2.763 -10.570 1.00 0.00 C ATOM 32 CG1 VAL A 3 -7.318 4.256 -10.371 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.799 2.322 -9.817 1.00 0.00 C ATOM 0 H VAL A 3 -10.032 2.778 -10.899 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.933 0.895 -10.097 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.883 2.592 -11.633 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.440 4.825 -10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.174 4.558 -10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.528 4.451 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.952 2.929 -10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.954 2.449 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.595 1.273 -10.033 1.00 0.00 H new ATOM 43 N THR A 4 -9.929 1.710 -8.418 1.00 0.00 N ATOM 44 CA THR A 4 -10.551 1.974 -7.131 1.00 0.00 C ATOM 45 C THR A 4 -9.792 1.255 -6.014 1.00 0.00 C ATOM 46 O THR A 4 -8.765 0.626 -6.262 1.00 0.00 O ATOM 47 CB THR A 4 -12.023 1.568 -7.225 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.642 2.251 -6.138 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.243 0.088 -6.907 1.00 0.00 C ATOM 0 H THR A 4 -10.430 1.043 -9.005 1.00 0.00 H new ATOM 0 HA THR A 4 -10.507 3.034 -6.880 1.00 0.00 H new ATOM 0 HB THR A 4 -12.396 1.784 -8.226 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.600 2.045 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.304 -0.148 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.681 -0.523 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.901 -0.121 -5.893 1.00 0.00 H new ATOM 57 N GLN A 5 -10.327 1.371 -4.808 1.00 0.00 N ATOM 58 CA GLN A 5 -9.714 0.740 -3.652 1.00 0.00 C ATOM 59 C GLN A 5 -9.511 -0.755 -3.909 1.00 0.00 C ATOM 60 O GLN A 5 -8.377 -1.223 -4.008 1.00 0.00 O ATOM 61 CB GLN A 5 -10.550 0.972 -2.392 1.00 0.00 C ATOM 62 CG GLN A 5 -9.853 0.395 -1.158 1.00 0.00 C ATOM 63 CD GLN A 5 -8.845 1.392 -0.583 1.00 0.00 C ATOM 64 OE1 GLN A 5 -9.091 2.061 0.408 1.00 0.00 O ATOM 65 NE2 GLN A 5 -7.701 1.454 -1.257 1.00 0.00 N ATOM 0 H GLN A 5 -11.179 1.893 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.738 1.196 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.717 2.040 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.530 0.509 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.595 0.145 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.343 -0.531 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.561 0.866 -2.078 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.964 2.090 -0.953 1.00 0.00 H new ATOM 72 N GLU A 6 -10.627 -1.462 -4.011 1.00 0.00 N ATOM 73 CA GLU A 6 -10.585 -2.893 -4.254 1.00 0.00 C ATOM 74 C GLU A 6 -9.696 -3.201 -5.461 1.00 0.00 C ATOM 75 O GLU A 6 -9.234 -4.330 -5.625 1.00 0.00 O ATOM 76 CB GLU A 6 -11.993 -3.457 -4.452 1.00 0.00 C ATOM 77 CG GLU A 6 -12.440 -4.262 -3.230 1.00 0.00 C ATOM 78 CD GLU A 6 -13.919 -4.021 -2.926 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.788 -4.696 -3.498 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.155 -3.095 -2.059 1.00 0.00 O ATOM 0 H GLU A 6 -11.565 -1.070 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.155 -3.378 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.693 -2.641 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.012 -4.093 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.270 -5.324 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.837 -3.983 -2.366 1.00 0.00 H new ATOM 86 N GLU A 7 -9.484 -2.177 -6.275 1.00 0.00 N ATOM 87 CA GLU A 7 -8.658 -2.325 -7.462 1.00 0.00 C ATOM 88 C GLU A 7 -7.179 -2.382 -7.077 1.00 0.00 C ATOM 89 O GLU A 7 -6.428 -3.199 -7.607 1.00 0.00 O ATOM 90 CB GLU A 7 -8.922 -1.193 -8.457 1.00 0.00 C ATOM 91 CG GLU A 7 -9.498 -1.735 -9.767 1.00 0.00 C ATOM 92 CD GLU A 7 -8.686 -2.931 -10.268 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.514 -3.086 -9.892 1.00 0.00 O ATOM 94 OE2 GLU A 7 -9.313 -3.716 -11.077 1.00 0.00 O ATOM 0 H GLU A 7 -9.869 -1.243 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.922 -3.263 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.616 -0.475 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.994 -0.657 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.536 -2.032 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.498 -0.949 -10.522 1.00 0.00 H new ATOM 100 N ILE A 8 -6.806 -1.505 -6.157 1.00 0.00 N ATOM 101 CA ILE A 8 -5.429 -1.445 -5.695 1.00 0.00 C ATOM 102 C ILE A 8 -5.282 -2.304 -4.436 1.00 0.00 C ATOM 103 O ILE A 8 -4.179 -2.460 -3.913 1.00 0.00 O ATOM 104 CB ILE A 8 -4.991 0.007 -5.503 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.574 0.905 -6.596 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.466 0.114 -5.426 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.400 2.384 -6.243 1.00 0.00 C ATOM 0 H ILE A 8 -7.433 -0.830 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.756 -1.859 -6.446 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.387 0.360 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.082 0.694 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.633 0.681 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.181 1.157 -5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.102 -0.475 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.028 -0.264 -6.350 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.823 3.000 -7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.914 2.597 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.339 2.610 -6.135 1.00 0.00 H new ATOM 118 N ILE A 9 -6.408 -2.837 -3.987 1.00 0.00 N ATOM 119 CA ILE A 9 -6.417 -3.676 -2.801 1.00 0.00 C ATOM 120 C ILE A 9 -6.587 -5.138 -3.215 1.00 0.00 C ATOM 121 O ILE A 9 -5.932 -6.023 -2.667 1.00 0.00 O ATOM 122 CB ILE A 9 -7.479 -3.190 -1.810 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.158 -1.780 -1.311 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.647 -4.182 -0.658 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.744 -1.546 0.083 1.00 0.00 C ATOM 0 H ILE A 9 -7.321 -2.704 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.465 -3.603 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.435 -3.137 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.078 -1.637 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.560 -1.044 -2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.407 -3.814 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.955 -5.150 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.700 -4.290 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.502 -0.536 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.827 -1.666 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.322 -2.269 0.781 1.00 0.00 H new ATOM 136 N ALA A 10 -7.470 -5.348 -4.182 1.00 0.00 N ATOM 137 CA ALA A 10 -7.734 -6.687 -4.677 1.00 0.00 C ATOM 138 C ALA A 10 -6.846 -6.962 -5.891 1.00 0.00 C ATOM 139 O ALA A 10 -6.371 -8.082 -6.078 1.00 0.00 O ATOM 140 CB ALA A 10 -9.223 -6.828 -5.000 1.00 0.00 C ATOM 0 H ALA A 10 -8.011 -4.612 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.493 -7.431 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.421 -7.833 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.809 -6.653 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.501 -6.099 -5.761 1.00 0.00 H new ATOM 146 N GLY A 11 -6.646 -5.922 -6.687 1.00 0.00 N ATOM 147 CA GLY A 11 -5.823 -6.036 -7.878 1.00 0.00 C ATOM 148 C GLY A 11 -4.352 -6.244 -7.511 1.00 0.00 C ATOM 149 O GLY A 11 -3.667 -7.064 -8.119 1.00 0.00 O ATOM 0 H GLY A 11 -7.041 -4.995 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.171 -6.871 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.927 -5.135 -8.483 1.00 0.00 H new ATOM 153 N ILE A 12 -3.912 -5.487 -6.517 1.00 0.00 N ATOM 154 CA ILE A 12 -2.535 -5.578 -6.061 1.00 0.00 C ATOM 155 C ILE A 12 -2.366 -6.839 -5.211 1.00 0.00 C ATOM 156 O ILE A 12 -1.484 -7.655 -5.473 1.00 0.00 O ATOM 157 CB ILE A 12 -2.122 -4.292 -5.342 1.00 0.00 C ATOM 158 CG1 ILE A 12 -2.061 -3.115 -6.318 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.803 -4.483 -4.591 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.824 -2.252 -6.058 1.00 0.00 C ATOM 0 H ILE A 12 -4.484 -4.808 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.858 -5.672 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.884 -4.056 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.040 -3.488 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.960 -2.508 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.532 -3.554 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.917 -5.275 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.019 -4.756 -5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.804 -1.422 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.860 -1.861 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.074 -2.857 -6.183 1.00 0.00 H new ATOM 171 N ALA A 13 -3.226 -6.958 -4.210 1.00 0.00 N ATOM 172 CA ALA A 13 -3.183 -8.106 -3.320 1.00 0.00 C ATOM 173 C ALA A 13 -2.909 -9.370 -4.136 1.00 0.00 C ATOM 174 O ALA A 13 -2.042 -10.167 -3.781 1.00 0.00 O ATOM 175 CB ALA A 13 -4.493 -8.192 -2.534 1.00 0.00 C ATOM 0 H ALA A 13 -3.956 -6.279 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.375 -8.000 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.461 -9.053 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.626 -7.283 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.327 -8.301 -3.227 1.00 0.00 H new ATOM 181 N GLU A 14 -3.664 -9.513 -5.216 1.00 0.00 N ATOM 182 CA GLU A 14 -3.513 -10.668 -6.087 1.00 0.00 C ATOM 183 C GLU A 14 -2.086 -10.737 -6.634 1.00 0.00 C ATOM 184 O GLU A 14 -1.487 -11.810 -6.680 1.00 0.00 O ATOM 185 CB GLU A 14 -4.535 -10.633 -7.225 1.00 0.00 C ATOM 186 CG GLU A 14 -5.923 -11.043 -6.728 1.00 0.00 C ATOM 187 CD GLU A 14 -6.411 -12.304 -7.446 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.471 -13.380 -6.834 1.00 0.00 O ATOM 189 OE2 GLU A 14 -6.735 -12.136 -8.683 1.00 0.00 O ATOM 0 H GLU A 14 -4.381 -8.849 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.701 -11.568 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.578 -9.630 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.218 -11.303 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.891 -11.221 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.628 -10.229 -6.895 1.00 0.00 H new ATOM 195 N ILE A 15 -1.582 -9.578 -7.033 1.00 0.00 N ATOM 196 CA ILE A 15 -0.236 -9.495 -7.574 1.00 0.00 C ATOM 197 C ILE A 15 0.773 -9.826 -6.473 1.00 0.00 C ATOM 198 O ILE A 15 1.707 -10.597 -6.693 1.00 0.00 O ATOM 199 CB ILE A 15 -0.006 -8.131 -8.228 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.920 -7.944 -9.442 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.469 -7.937 -8.587 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.675 -6.590 -10.110 1.00 0.00 C ATOM 0 H ILE A 15 -2.081 -8.689 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.097 -10.231 -8.366 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.267 -7.357 -7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.745 -8.745 -10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.962 -8.017 -9.131 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.605 -6.960 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.075 -7.997 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.779 -8.715 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.337 -6.483 -10.969 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.875 -5.791 -9.396 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.362 -6.530 -10.441 1.00 0.00 H new ATOM 213 N ILE A 16 0.553 -9.227 -5.312 1.00 0.00 N ATOM 214 CA ILE A 16 1.432 -9.449 -4.177 1.00 0.00 C ATOM 215 C ILE A 16 1.549 -10.952 -3.913 1.00 0.00 C ATOM 216 O ILE A 16 2.583 -11.425 -3.446 1.00 0.00 O ATOM 217 CB ILE A 16 0.953 -8.648 -2.964 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.815 -7.164 -3.307 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.870 -8.875 -1.760 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.401 -6.353 -2.078 1.00 0.00 C ATOM 0 H ILE A 16 -0.222 -8.588 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 16 2.436 -9.084 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.038 -9.008 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.762 -6.787 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.075 -7.037 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.507 -8.294 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.874 -9.934 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.883 -8.559 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.310 -5.301 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.558 -6.716 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.155 -6.462 -1.299 1.00 0.00 H new ATOM 231 N GLU A 17 0.473 -11.660 -4.226 1.00 0.00 N ATOM 232 CA GLU A 17 0.442 -13.099 -4.029 1.00 0.00 C ATOM 233 C GLU A 17 1.211 -13.804 -5.148 1.00 0.00 C ATOM 234 O GLU A 17 1.241 -15.033 -5.206 1.00 0.00 O ATOM 235 CB GLU A 17 -0.997 -13.610 -3.946 1.00 0.00 C ATOM 236 CG GLU A 17 -1.033 -15.089 -3.553 1.00 0.00 C ATOM 237 CD GLU A 17 -1.444 -15.962 -4.741 1.00 0.00 C ATOM 238 OE1 GLU A 17 -0.671 -16.833 -5.167 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.613 -15.709 -5.224 1.00 0.00 O ATOM 0 H GLU A 17 -0.383 -11.264 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 17 0.929 -13.327 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.554 -13.023 -3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.491 -13.474 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.051 -15.397 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.734 -15.234 -2.731 1.00 0.00 H new ATOM 245 N GLU A 18 1.813 -12.997 -6.008 1.00 0.00 N ATOM 246 CA GLU A 18 2.580 -13.529 -7.122 1.00 0.00 C ATOM 247 C GLU A 18 4.073 -13.278 -6.907 1.00 0.00 C ATOM 248 O GLU A 18 4.896 -14.159 -7.154 1.00 0.00 O ATOM 249 CB GLU A 18 2.109 -12.927 -8.449 1.00 0.00 C ATOM 250 CG GLU A 18 0.604 -13.128 -8.638 1.00 0.00 C ATOM 251 CD GLU A 18 0.319 -14.044 -9.830 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.428 -13.610 -10.986 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.028 -15.247 -9.522 1.00 0.00 O ATOM 0 H GLU A 18 1.786 -11.979 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 18 2.416 -14.605 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.343 -11.863 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.648 -13.391 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.174 -13.558 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.121 -12.163 -8.793 1.00 0.00 H new ATOM 259 N VAL A 19 4.379 -12.073 -6.448 1.00 0.00 N ATOM 260 CA VAL A 19 5.759 -11.696 -6.196 1.00 0.00 C ATOM 261 C VAL A 19 6.199 -12.262 -4.845 1.00 0.00 C ATOM 262 O VAL A 19 7.136 -13.055 -4.776 1.00 0.00 O ATOM 263 CB VAL A 19 5.910 -10.176 -6.286 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.381 -9.779 -6.436 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.070 -9.607 -7.431 1.00 0.00 C ATOM 0 H VAL A 19 3.694 -11.345 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 19 6.416 -12.120 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 19 5.540 -9.748 -5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.460 -8.694 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.944 -10.136 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.787 -10.225 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.196 -8.525 -7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.395 -10.046 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.019 -9.844 -7.264 1.00 0.00 H new ATOM 275 N THR A 20 5.501 -11.832 -3.804 1.00 0.00 N ATOM 276 CA THR A 20 5.809 -12.286 -2.458 1.00 0.00 C ATOM 277 C THR A 20 5.165 -13.648 -2.196 1.00 0.00 C ATOM 278 O THR A 20 5.681 -14.440 -1.408 1.00 0.00 O ATOM 279 CB THR A 20 5.358 -11.201 -1.478 1.00 0.00 C ATOM 280 OG1 THR A 20 3.935 -11.237 -1.553 1.00 0.00 O ATOM 281 CG2 THR A 20 5.721 -9.794 -1.955 1.00 0.00 C ATOM 0 H THR A 20 4.724 -11.174 -3.865 1.00 0.00 H new ATOM 0 HA THR A 20 6.880 -12.437 -2.326 1.00 0.00 H new ATOM 0 HB THR A 20 5.810 -11.381 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.645 -10.910 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.379 -9.062 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.802 -9.716 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.241 -9.600 -2.914 1.00 0.00 H new ATOM 289 N GLY A 21 4.048 -13.879 -2.869 1.00 0.00 N ATOM 290 CA GLY A 21 3.329 -15.133 -2.718 1.00 0.00 C ATOM 291 C GLY A 21 2.448 -15.112 -1.467 1.00 0.00 C ATOM 292 O GLY A 21 2.061 -16.163 -0.959 1.00 0.00 O ATOM 0 H GLY A 21 3.623 -13.219 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.712 -15.311 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.039 -15.958 -2.654 1.00 0.00 H new ATOM 296 N ILE A 22 2.158 -13.905 -1.007 1.00 0.00 N ATOM 297 CA ILE A 22 1.330 -13.733 0.175 1.00 0.00 C ATOM 298 C ILE A 22 -0.145 -13.830 -0.223 1.00 0.00 C ATOM 299 O ILE A 22 -0.478 -13.765 -1.404 1.00 0.00 O ATOM 300 CB ILE A 22 1.688 -12.432 0.896 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.136 -12.459 1.389 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.702 -12.144 2.030 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.674 -11.042 1.588 1.00 0.00 C ATOM 0 H ILE A 22 2.481 -13.036 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 22 1.521 -14.531 0.893 1.00 0.00 H new ATOM 0 HB ILE A 22 1.606 -11.612 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.194 -13.009 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.759 -12.991 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.979 -11.214 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.305 -12.052 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.728 -12.961 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.705 -11.090 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.638 -10.503 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.064 -10.521 2.326 1.00 0.00 H new ATOM 314 N GLU A 23 -0.988 -13.983 0.788 1.00 0.00 N ATOM 315 CA GLU A 23 -2.419 -14.090 0.560 1.00 0.00 C ATOM 316 C GLU A 23 -2.974 -12.760 0.045 1.00 0.00 C ATOM 317 O GLU A 23 -2.466 -11.695 0.392 1.00 0.00 O ATOM 318 CB GLU A 23 -3.146 -14.533 1.830 1.00 0.00 C ATOM 319 CG GLU A 23 -3.676 -15.961 1.689 1.00 0.00 C ATOM 320 CD GLU A 23 -4.448 -16.386 2.940 1.00 0.00 C ATOM 321 OE1 GLU A 23 -5.269 -15.613 3.455 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.170 -17.568 3.376 1.00 0.00 O ATOM 0 H GLU A 23 -0.707 -14.035 1.767 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.590 -14.852 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.467 -14.476 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.973 -13.853 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.326 -16.027 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.845 -16.646 1.520 1.00 0.00 H new ATOM 328 N PRO A 24 -4.039 -12.868 -0.795 1.00 0.00 N ATOM 329 CA PRO A 24 -4.669 -11.687 -1.359 1.00 0.00 C ATOM 330 C PRO A 24 -5.524 -10.969 -0.314 1.00 0.00 C ATOM 331 O PRO A 24 -5.397 -9.759 -0.129 1.00 0.00 O ATOM 332 CB PRO A 24 -5.480 -12.201 -2.539 1.00 0.00 C ATOM 333 CG PRO A 24 -5.648 -13.694 -2.311 1.00 0.00 C ATOM 334 CD PRO A 24 -4.668 -14.113 -1.226 1.00 0.00 C ATOM 0 HA PRO A 24 -3.946 -10.939 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.448 -11.703 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.967 -12.005 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.671 -13.922 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.456 -14.245 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.179 -14.605 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.930 -14.818 -1.609 1.00 0.00 H new ATOM 339 N SER A 25 -6.374 -11.743 0.343 1.00 0.00 N ATOM 340 CA SER A 25 -7.249 -11.196 1.366 1.00 0.00 C ATOM 341 C SER A 25 -6.416 -10.588 2.497 1.00 0.00 C ATOM 342 O SER A 25 -6.881 -9.695 3.203 1.00 0.00 O ATOM 343 CB SER A 25 -8.191 -12.268 1.918 1.00 0.00 C ATOM 344 OG SER A 25 -9.545 -11.827 1.941 1.00 0.00 O ATOM 0 H SER A 25 -6.476 -12.746 0.187 1.00 0.00 H new ATOM 0 HA SER A 25 -7.859 -10.415 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.113 -13.168 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.881 -12.539 2.927 1.00 0.00 H new ATOM 0 HG SER A 25 -10.115 -12.540 2.298 1.00 0.00 H new ATOM 349 N GLU A 26 -5.201 -11.097 2.632 1.00 0.00 N ATOM 350 CA GLU A 26 -4.298 -10.615 3.664 1.00 0.00 C ATOM 351 C GLU A 26 -3.948 -9.147 3.421 1.00 0.00 C ATOM 352 O GLU A 26 -3.940 -8.343 4.351 1.00 0.00 O ATOM 353 CB GLU A 26 -3.036 -11.476 3.735 1.00 0.00 C ATOM 354 CG GLU A 26 -2.399 -11.403 5.124 1.00 0.00 C ATOM 355 CD GLU A 26 -1.142 -12.272 5.198 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.028 -11.742 5.318 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.353 -13.543 5.127 1.00 0.00 O ATOM 0 H GLU A 26 -4.820 -11.838 2.044 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.804 -10.692 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.284 -12.511 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.320 -11.140 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.145 -10.369 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.117 -11.732 5.875 1.00 0.00 H new ATOM 363 N ILE A 27 -3.665 -8.840 2.163 1.00 0.00 N ATOM 364 CA ILE A 27 -3.314 -7.482 1.784 1.00 0.00 C ATOM 365 C ILE A 27 -4.481 -6.548 2.110 1.00 0.00 C ATOM 366 O ILE A 27 -5.602 -6.768 1.654 1.00 0.00 O ATOM 367 CB ILE A 27 -2.876 -7.430 0.319 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.408 -7.836 0.171 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.155 -6.054 -0.288 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.041 -8.941 1.163 1.00 0.00 C ATOM 0 H ILE A 27 -3.672 -9.509 1.393 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.457 -7.136 2.361 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.468 -8.154 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.223 -8.180 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.769 -6.968 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.834 -6.044 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.223 -5.843 -0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.607 -5.293 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.008 -9.210 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.204 -8.585 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.665 -9.816 0.980 1.00 0.00 H new ATOM 381 N THR A 28 -4.177 -5.526 2.897 1.00 0.00 N ATOM 382 CA THR A 28 -5.188 -4.558 3.289 1.00 0.00 C ATOM 383 C THR A 28 -4.619 -3.138 3.225 1.00 0.00 C ATOM 384 O THR A 28 -3.407 -2.955 3.136 1.00 0.00 O ATOM 385 CB THR A 28 -5.700 -4.946 4.677 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.556 -5.492 5.329 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.694 -6.107 4.631 1.00 0.00 C ATOM 0 H THR A 28 -3.246 -5.347 3.273 1.00 0.00 H new ATOM 0 HA THR A 28 -6.033 -4.567 2.601 1.00 0.00 H new ATOM 0 HB THR A 28 -6.174 -4.082 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.798 -5.769 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.026 -6.342 5.642 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.554 -5.826 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.212 -6.982 4.195 1.00 0.00 H new ATOM 395 N PRO A 29 -5.547 -2.146 3.275 1.00 0.00 N ATOM 396 CA PRO A 29 -5.151 -0.748 3.224 1.00 0.00 C ATOM 397 C PRO A 29 -4.549 -0.300 4.557 1.00 0.00 C ATOM 398 O PRO A 29 -4.819 0.806 5.024 1.00 0.00 O ATOM 399 CB PRO A 29 -6.420 0.007 2.861 1.00 0.00 C ATOM 400 CG PRO A 29 -7.571 -0.935 3.178 1.00 0.00 C ATOM 401 CD PRO A 29 -6.992 -2.325 3.381 1.00 0.00 C ATOM 0 HA PRO A 29 -4.367 -0.559 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.502 0.931 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.421 0.284 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.098 -0.606 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.297 -0.939 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.270 -2.731 4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.361 -3.021 2.628 1.00 0.00 H new ATOM 406 N GLU A 30 -3.745 -1.182 5.133 1.00 0.00 N ATOM 407 CA GLU A 30 -3.102 -0.891 6.403 1.00 0.00 C ATOM 408 C GLU A 30 -1.644 -1.353 6.378 1.00 0.00 C ATOM 409 O GLU A 30 -0.958 -1.312 7.398 1.00 0.00 O ATOM 410 CB GLU A 30 -3.863 -1.537 7.563 1.00 0.00 C ATOM 411 CG GLU A 30 -5.272 -0.953 7.688 1.00 0.00 C ATOM 412 CD GLU A 30 -5.438 -0.203 9.011 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.103 -0.742 10.076 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.937 0.982 8.907 1.00 0.00 O ATOM 0 H GLU A 30 -3.524 -2.098 4.743 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.118 0.188 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.925 -2.614 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.317 -1.380 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.464 -0.276 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.009 -1.754 7.625 1.00 0.00 H new ATOM 420 N LYS A 31 -1.213 -1.783 5.201 1.00 0.00 N ATOM 421 CA LYS A 31 0.151 -2.252 5.031 1.00 0.00 C ATOM 422 C LYS A 31 1.115 -1.072 5.180 1.00 0.00 C ATOM 423 O LYS A 31 0.689 0.081 5.209 1.00 0.00 O ATOM 424 CB LYS A 31 0.299 -3.001 3.704 1.00 0.00 C ATOM 425 CG LYS A 31 -0.662 -4.190 3.637 1.00 0.00 C ATOM 426 CD LYS A 31 0.060 -5.451 3.157 1.00 0.00 C ATOM 427 CE LYS A 31 -0.193 -6.623 4.109 1.00 0.00 C ATOM 428 NZ LYS A 31 0.595 -7.806 3.695 1.00 0.00 N ATOM 0 H LYS A 31 -1.784 -1.816 4.357 1.00 0.00 H new ATOM 0 HA LYS A 31 0.405 -2.972 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.102 -2.322 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.325 -3.351 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.096 -4.367 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.486 -3.959 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.282 -5.711 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.131 -5.258 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.075 -6.338 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.255 -6.870 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.074 -8.673 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.755 -7.774 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.510 -7.803 4.189 1.00 0.00 H new ATOM 437 N SER A 32 2.394 -1.403 5.272 1.00 0.00 N ATOM 438 CA SER A 32 3.421 -0.385 5.419 1.00 0.00 C ATOM 439 C SER A 32 4.523 -0.601 4.379 1.00 0.00 C ATOM 440 O SER A 32 5.586 0.013 4.460 1.00 0.00 O ATOM 441 CB SER A 32 4.012 -0.398 6.830 1.00 0.00 C ATOM 442 OG SER A 32 4.228 0.918 7.330 1.00 0.00 O ATOM 0 H SER A 32 2.743 -2.361 5.248 1.00 0.00 H new ATOM 0 HA SER A 32 2.962 0.590 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.340 -0.934 7.500 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.956 -0.943 6.823 1.00 0.00 H new ATOM 0 HG SER A 32 4.604 0.867 8.233 1.00 0.00 H new ATOM 447 N PHE A 33 4.232 -1.474 3.427 1.00 0.00 N ATOM 448 CA PHE A 33 5.185 -1.779 2.373 1.00 0.00 C ATOM 449 C PHE A 33 6.241 -2.772 2.859 1.00 0.00 C ATOM 450 O PHE A 33 6.691 -3.628 2.098 1.00 0.00 O ATOM 451 CB PHE A 33 5.872 -0.464 1.999 1.00 0.00 C ATOM 452 CG PHE A 33 6.140 -0.307 0.501 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.170 0.182 -0.318 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.350 -0.656 -0.013 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.419 0.327 -1.708 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.601 -0.511 -1.404 1.00 0.00 C ATOM 457 CZ PHE A 33 6.629 -0.022 -2.222 1.00 0.00 C ATOM 0 H PHE A 33 3.349 -1.981 3.363 1.00 0.00 H new ATOM 0 HA PHE A 33 4.670 -2.226 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.252 0.367 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.818 -0.394 2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.209 0.460 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.121 -1.044 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.648 0.714 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.562 -0.788 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.819 0.089 -3.279 1.00 0.00 H new ATOM 466 N VAL A 34 6.607 -2.627 4.124 1.00 0.00 N ATOM 467 CA VAL A 34 7.602 -3.501 4.721 1.00 0.00 C ATOM 468 C VAL A 34 7.146 -3.903 6.125 1.00 0.00 C ATOM 469 O VAL A 34 7.028 -5.089 6.427 1.00 0.00 O ATOM 470 CB VAL A 34 8.972 -2.818 4.710 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.638 -2.905 6.084 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.872 -3.413 3.625 1.00 0.00 C ATOM 0 H VAL A 34 6.232 -1.917 4.752 1.00 0.00 H new ATOM 0 HA VAL A 34 7.705 -4.417 4.138 1.00 0.00 H new ATOM 0 HB VAL A 34 8.820 -1.764 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.610 -2.412 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.008 -2.413 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.771 -3.952 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.839 -2.910 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.014 -4.477 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.405 -3.276 2.650 1.00 0.00 H new ATOM 482 N ASP A 35 6.902 -2.891 6.945 1.00 0.00 N ATOM 483 CA ASP A 35 6.462 -3.124 8.310 1.00 0.00 C ATOM 484 C ASP A 35 5.493 -4.308 8.334 1.00 0.00 C ATOM 485 O ASP A 35 5.433 -5.047 9.316 1.00 0.00 O ATOM 486 CB ASP A 35 5.729 -1.903 8.869 1.00 0.00 C ATOM 487 CG ASP A 35 5.774 -1.761 10.391 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.483 -2.509 11.082 1.00 0.00 O ATOM 489 OD2 ASP A 35 5.029 -0.825 10.875 1.00 0.00 O ATOM 0 H ASP A 35 7.001 -1.908 6.690 1.00 0.00 H new ATOM 0 HA ASP A 35 7.344 -3.325 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.157 -1.005 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.686 -1.949 8.554 1.00 0.00 H new ATOM 494 N ASP A 36 4.758 -4.451 7.240 1.00 0.00 N ATOM 495 CA ASP A 36 3.795 -5.533 7.123 1.00 0.00 C ATOM 496 C ASP A 36 4.344 -6.599 6.173 1.00 0.00 C ATOM 497 O ASP A 36 4.662 -7.709 6.598 1.00 0.00 O ATOM 498 CB ASP A 36 2.468 -5.030 6.552 1.00 0.00 C ATOM 499 CG ASP A 36 1.281 -5.096 7.515 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.250 -5.718 7.218 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.449 -4.466 8.629 1.00 0.00 O ATOM 0 H ASP A 36 4.810 -3.836 6.428 1.00 0.00 H new ATOM 0 HA ASP A 36 3.627 -5.943 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.597 -3.997 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.228 -5.614 5.663 1.00 0.00 H new ATOM 506 N LEU A 37 4.441 -6.224 4.906 1.00 0.00 N ATOM 507 CA LEU A 37 4.947 -7.135 3.893 1.00 0.00 C ATOM 508 C LEU A 37 6.146 -7.900 4.455 1.00 0.00 C ATOM 509 O LEU A 37 6.156 -9.131 4.455 1.00 0.00 O ATOM 510 CB LEU A 37 5.252 -6.378 2.598 1.00 0.00 C ATOM 511 CG LEU A 37 4.039 -5.876 1.814 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.469 -5.218 0.500 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.027 -7.001 1.587 1.00 0.00 C ATOM 0 H LEU A 37 4.178 -5.302 4.558 1.00 0.00 H new ATOM 0 HA LEU A 37 4.190 -7.875 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.883 -5.523 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.835 -7.030 1.948 1.00 0.00 H new ATOM 0 HG LEU A 37 3.541 -5.111 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.587 -4.870 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.122 -4.371 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.005 -5.944 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.175 -6.616 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.498 -7.806 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.686 -7.384 2.549 1.00 0.00 H new ATOM 524 N ASP A 38 7.127 -7.142 4.920 1.00 0.00 N ATOM 525 CA ASP A 38 8.328 -7.733 5.484 1.00 0.00 C ATOM 526 C ASP A 38 9.122 -8.422 4.372 1.00 0.00 C ATOM 527 O ASP A 38 10.029 -9.207 4.646 1.00 0.00 O ATOM 528 CB ASP A 38 7.981 -8.787 6.538 1.00 0.00 C ATOM 529 CG ASP A 38 8.906 -8.813 7.756 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.880 -7.903 8.598 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.692 -9.834 7.822 1.00 0.00 O ATOM 0 H ASP A 38 7.115 -6.122 4.918 1.00 0.00 H new ATOM 0 HA ASP A 38 8.910 -6.936 5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.960 -8.615 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.998 -9.770 6.067 1.00 0.00 H new ATOM 536 N ILE A 39 8.751 -8.104 3.140 1.00 0.00 N ATOM 537 CA ILE A 39 9.417 -8.683 1.985 1.00 0.00 C ATOM 538 C ILE A 39 10.513 -7.730 1.503 1.00 0.00 C ATOM 539 O ILE A 39 11.421 -8.136 0.780 1.00 0.00 O ATOM 540 CB ILE A 39 8.397 -9.044 0.904 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.850 -10.276 0.114 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.118 -7.849 -0.009 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.238 -10.060 -0.490 1.00 0.00 C ATOM 0 H ILE A 39 7.998 -7.453 2.917 1.00 0.00 H new ATOM 0 HA ILE A 39 9.905 -9.619 2.256 1.00 0.00 H new ATOM 0 HB ILE A 39 7.457 -9.301 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.866 -11.147 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.133 -10.487 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.390 -8.133 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.722 -7.024 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.043 -7.537 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.536 -10.949 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.212 -9.203 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.957 -9.873 0.308 1.00 0.00 H new ATOM 554 N ASP A 40 10.391 -6.479 1.923 1.00 0.00 N ATOM 555 CA ASP A 40 11.360 -5.464 1.544 1.00 0.00 C ATOM 556 C ASP A 40 10.911 -4.799 0.240 1.00 0.00 C ATOM 557 O ASP A 40 9.804 -5.044 -0.236 1.00 0.00 O ATOM 558 CB ASP A 40 12.740 -6.081 1.309 1.00 0.00 C ATOM 559 CG ASP A 40 13.920 -5.139 1.558 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.102 -4.624 2.672 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.681 -4.938 0.537 1.00 0.00 O ATOM 0 H ASP A 40 9.636 -6.145 2.522 1.00 0.00 H new ATOM 0 HA ASP A 40 11.423 -4.738 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.847 -6.952 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.791 -6.439 0.281 1.00 0.00 H new ATOM 566 N SER A 41 11.794 -3.971 -0.298 1.00 0.00 N ATOM 567 CA SER A 41 11.501 -3.269 -1.537 1.00 0.00 C ATOM 568 C SER A 41 11.863 -4.149 -2.734 1.00 0.00 C ATOM 569 O SER A 41 11.751 -3.719 -3.881 1.00 0.00 O ATOM 570 CB SER A 41 12.256 -1.939 -1.607 1.00 0.00 C ATOM 571 OG SER A 41 13.668 -2.124 -1.550 1.00 0.00 O ATOM 0 H SER A 41 12.711 -3.770 0.100 1.00 0.00 H new ATOM 0 HA SER A 41 10.433 -3.052 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.995 -1.422 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.940 -1.299 -0.783 1.00 0.00 H new ATOM 0 HG SER A 41 14.114 -1.253 -1.599 1.00 0.00 H new ATOM 576 N LEU A 42 12.291 -5.365 -2.427 1.00 0.00 N ATOM 577 CA LEU A 42 12.669 -6.309 -3.465 1.00 0.00 C ATOM 578 C LEU A 42 11.421 -6.737 -4.239 1.00 0.00 C ATOM 579 O LEU A 42 11.265 -6.395 -5.411 1.00 0.00 O ATOM 580 CB LEU A 42 13.451 -7.480 -2.864 1.00 0.00 C ATOM 581 CG LEU A 42 14.846 -7.722 -3.445 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.932 -7.367 -2.427 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.986 -9.157 -3.955 1.00 0.00 C ATOM 0 H LEU A 42 12.384 -5.718 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 42 13.343 -5.838 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.549 -7.313 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.863 -8.388 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 42 14.979 -7.062 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.914 -7.548 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.845 -6.315 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.812 -7.984 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.986 -9.302 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.825 -9.853 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.246 -9.340 -4.735 1.00 0.00 H new ATOM 594 N SER A 43 10.563 -7.478 -3.554 1.00 0.00 N ATOM 595 CA SER A 43 9.333 -7.957 -4.164 1.00 0.00 C ATOM 596 C SER A 43 8.415 -6.775 -4.483 1.00 0.00 C ATOM 597 O SER A 43 7.908 -6.663 -5.598 1.00 0.00 O ATOM 598 CB SER A 43 8.617 -8.954 -3.251 1.00 0.00 C ATOM 599 OG SER A 43 7.481 -9.536 -3.882 1.00 0.00 O ATOM 0 H SER A 43 10.695 -7.759 -2.582 1.00 0.00 H new ATOM 0 HA SER A 43 9.588 -8.473 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.312 -9.741 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.305 -8.449 -2.337 1.00 0.00 H new ATOM 0 HG SER A 43 6.829 -8.835 -4.093 1.00 0.00 H new ATOM 604 N MET A 44 8.226 -5.925 -3.484 1.00 0.00 N ATOM 605 CA MET A 44 7.377 -4.758 -3.644 1.00 0.00 C ATOM 606 C MET A 44 7.703 -4.018 -4.944 1.00 0.00 C ATOM 607 O MET A 44 6.829 -3.394 -5.542 1.00 0.00 O ATOM 608 CB MET A 44 7.576 -3.815 -2.456 1.00 0.00 C ATOM 609 CG MET A 44 6.558 -4.104 -1.351 1.00 0.00 C ATOM 610 SD MET A 44 5.288 -2.849 -1.347 1.00 0.00 S ATOM 611 CE MET A 44 3.981 -3.729 -2.187 1.00 0.00 C ATOM 0 H MET A 44 8.647 -6.022 -2.560 1.00 0.00 H new ATOM 0 HA MET A 44 6.339 -5.089 -3.686 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.586 -3.927 -2.063 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.476 -2.781 -2.787 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.110 -5.086 -1.505 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.058 -4.130 -0.383 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.027 -3.504 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.947 -3.420 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.170 -4.801 -2.132 1.00 0.00 H new ATOM 619 N VAL A 45 8.963 -4.113 -5.341 1.00 0.00 N ATOM 620 CA VAL A 45 9.415 -3.461 -6.558 1.00 0.00 C ATOM 621 C VAL A 45 8.719 -4.098 -7.762 1.00 0.00 C ATOM 622 O VAL A 45 8.389 -3.411 -8.729 1.00 0.00 O ATOM 623 CB VAL A 45 10.941 -3.521 -6.650 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.391 -3.938 -8.051 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.567 -2.183 -6.248 1.00 0.00 C ATOM 0 H VAL A 45 9.685 -4.632 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 45 9.145 -2.405 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 45 11.289 -4.279 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.480 -3.973 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.989 -4.924 -8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.026 -3.215 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.652 -2.252 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.207 -1.398 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.288 -1.944 -5.222 1.00 0.00 H new ATOM 635 N GLU A 46 8.514 -5.403 -7.664 1.00 0.00 N ATOM 636 CA GLU A 46 7.863 -6.141 -8.733 1.00 0.00 C ATOM 637 C GLU A 46 6.372 -5.802 -8.779 1.00 0.00 C ATOM 638 O GLU A 46 5.861 -5.375 -9.813 1.00 0.00 O ATOM 639 CB GLU A 46 8.079 -7.646 -8.571 1.00 0.00 C ATOM 640 CG GLU A 46 8.727 -8.246 -9.821 1.00 0.00 C ATOM 641 CD GLU A 46 10.230 -8.450 -9.616 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.662 -9.557 -9.265 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.957 -7.407 -9.837 1.00 0.00 O ATOM 0 H GLU A 46 8.787 -5.969 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 46 8.313 -5.844 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.711 -7.835 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.124 -8.136 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.256 -9.200 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.559 -7.588 -10.674 1.00 0.00 H new ATOM 649 N ILE A 47 5.716 -6.006 -7.647 1.00 0.00 N ATOM 650 CA ILE A 47 4.294 -5.728 -7.545 1.00 0.00 C ATOM 651 C ILE A 47 3.974 -4.442 -8.309 1.00 0.00 C ATOM 652 O ILE A 47 2.984 -4.377 -9.037 1.00 0.00 O ATOM 653 CB ILE A 47 3.857 -5.697 -6.079 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.686 -7.114 -5.528 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.591 -4.856 -5.900 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.434 -7.281 -4.203 1.00 0.00 C ATOM 0 H ILE A 47 6.143 -6.361 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 47 3.716 -6.527 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 47 4.646 -5.218 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.627 -7.326 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.058 -7.838 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.303 -4.851 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.783 -3.835 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.784 -5.282 -6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.296 -8.297 -3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.496 -7.092 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.043 -6.573 -3.473 1.00 0.00 H new ATOM 667 N ALA A 48 4.830 -3.449 -8.119 1.00 0.00 N ATOM 668 CA ALA A 48 4.651 -2.169 -8.781 1.00 0.00 C ATOM 669 C ALA A 48 4.992 -2.314 -10.265 1.00 0.00 C ATOM 670 O ALA A 48 4.221 -1.896 -11.127 1.00 0.00 O ATOM 671 CB ALA A 48 5.511 -1.110 -8.086 1.00 0.00 C ATOM 0 H ALA A 48 5.650 -3.506 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 48 3.613 -1.844 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.377 -0.149 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.209 -1.024 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.560 -1.402 -8.138 1.00 0.00 H new ATOM 677 N VAL A 49 6.148 -2.911 -10.518 1.00 0.00 N ATOM 678 CA VAL A 49 6.601 -3.117 -11.883 1.00 0.00 C ATOM 679 C VAL A 49 5.462 -3.720 -12.708 1.00 0.00 C ATOM 680 O VAL A 49 5.422 -3.562 -13.927 1.00 0.00 O ATOM 681 CB VAL A 49 7.865 -3.978 -11.890 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.546 -5.417 -12.301 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.935 -3.373 -12.800 1.00 0.00 C ATOM 0 H VAL A 49 6.784 -3.258 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 49 6.869 -2.166 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 49 8.261 -3.999 -10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.462 -6.008 -12.298 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.834 -5.847 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.114 -5.422 -13.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.823 -4.005 -12.787 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.552 -3.307 -13.818 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.194 -2.376 -12.444 1.00 0.00 H new ATOM 693 N GLN A 50 4.563 -4.398 -12.009 1.00 0.00 N ATOM 694 CA GLN A 50 3.427 -5.025 -12.661 1.00 0.00 C ATOM 695 C GLN A 50 2.246 -4.053 -12.720 1.00 0.00 C ATOM 696 O GLN A 50 1.774 -3.709 -13.802 1.00 0.00 O ATOM 697 CB GLN A 50 3.034 -6.322 -11.951 1.00 0.00 C ATOM 698 CG GLN A 50 4.207 -7.304 -11.916 1.00 0.00 C ATOM 699 CD GLN A 50 3.746 -8.694 -11.473 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.308 -9.512 -12.265 1.00 0.00 O ATOM 701 NE2 GLN A 50 3.868 -8.914 -10.167 1.00 0.00 N ATOM 0 H GLN A 50 4.599 -4.526 -10.998 1.00 0.00 H new ATOM 0 HA GLN A 50 3.714 -5.280 -13.681 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.710 -6.101 -10.934 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.187 -6.779 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.663 -7.366 -12.904 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.973 -6.936 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.243 -8.185 -9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.587 -9.812 -9.773 1.00 0.00 H new ATOM 708 N THR A 51 1.802 -3.639 -11.542 1.00 0.00 N ATOM 709 CA THR A 51 0.685 -2.715 -11.446 1.00 0.00 C ATOM 710 C THR A 51 0.931 -1.489 -12.328 1.00 0.00 C ATOM 711 O THR A 51 0.004 -0.968 -12.946 1.00 0.00 O ATOM 712 CB THR A 51 0.483 -2.370 -9.969 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.357 -3.413 -9.481 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.348 -1.100 -9.773 1.00 0.00 C ATOM 0 H THR A 51 2.196 -3.927 -10.646 1.00 0.00 H new ATOM 0 HA THR A 51 -0.235 -3.166 -11.818 1.00 0.00 H new ATOM 0 HB THR A 51 1.454 -2.246 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.166 -3.570 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.461 -0.900 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.156 -0.258 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.331 -1.235 -10.223 1.00 0.00 H new ATOM 722 N GLU A 52 2.186 -1.062 -12.358 1.00 0.00 N ATOM 723 CA GLU A 52 2.564 0.092 -13.155 1.00 0.00 C ATOM 724 C GLU A 52 2.624 -0.281 -14.636 1.00 0.00 C ATOM 725 O GLU A 52 2.907 0.566 -15.483 1.00 0.00 O ATOM 726 CB GLU A 52 3.900 0.671 -12.680 1.00 0.00 C ATOM 727 CG GLU A 52 3.711 1.530 -11.429 1.00 0.00 C ATOM 728 CD GLU A 52 5.001 1.596 -10.609 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.979 1.330 -9.398 1.00 0.00 O ATOM 730 OE2 GLU A 52 6.053 1.935 -11.273 1.00 0.00 O ATOM 0 H GLU A 52 2.953 -1.495 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 52 1.804 0.863 -13.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.597 -0.140 -12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.343 1.272 -13.474 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.407 2.536 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.908 1.117 -10.818 1.00 0.00 H new ATOM 736 N ASP A 53 2.354 -1.550 -14.906 1.00 0.00 N ATOM 737 CA ASP A 53 2.373 -2.046 -16.271 1.00 0.00 C ATOM 738 C ASP A 53 0.977 -2.546 -16.648 1.00 0.00 C ATOM 739 O ASP A 53 0.350 -2.015 -17.563 1.00 0.00 O ATOM 740 CB ASP A 53 3.349 -3.215 -16.419 1.00 0.00 C ATOM 741 CG ASP A 53 4.330 -3.094 -17.588 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.499 -2.725 -17.405 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.843 -3.403 -18.741 1.00 0.00 O ATOM 0 H ASP A 53 2.121 -2.250 -14.202 1.00 0.00 H new ATOM 0 HA ASP A 53 2.686 -1.229 -16.921 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.919 -3.313 -15.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.776 -4.134 -16.539 1.00 0.00 H new ATOM 748 N LYS A 54 0.532 -3.562 -15.923 1.00 0.00 N ATOM 749 CA LYS A 54 -0.779 -4.139 -16.170 1.00 0.00 C ATOM 750 C LYS A 54 -1.797 -3.016 -16.370 1.00 0.00 C ATOM 751 O LYS A 54 -2.658 -3.101 -17.244 1.00 0.00 O ATOM 752 CB LYS A 54 -1.152 -5.116 -15.053 1.00 0.00 C ATOM 753 CG LYS A 54 -0.744 -6.545 -15.415 1.00 0.00 C ATOM 754 CD LYS A 54 -0.984 -7.499 -14.243 1.00 0.00 C ATOM 755 CE LYS A 54 -0.587 -8.930 -14.609 1.00 0.00 C ATOM 756 NZ LYS A 54 -1.260 -9.899 -13.716 1.00 0.00 N ATOM 0 H LYS A 54 1.055 -4.000 -15.165 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.770 -4.727 -17.088 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.662 -4.818 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.226 -5.075 -14.873 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.312 -6.880 -16.283 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.309 -6.566 -15.696 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.410 -7.169 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.035 -7.472 -13.957 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.856 -9.134 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.494 -9.045 -14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.979 -10.866 -13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.983 -9.713 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.291 -9.800 -13.810 1.00 0.00 H new ATOM 765 N TYR A 55 -1.665 -1.987 -15.546 1.00 0.00 N ATOM 766 CA TYR A 55 -2.564 -0.848 -15.621 1.00 0.00 C ATOM 767 C TYR A 55 -1.861 0.365 -16.236 1.00 0.00 C ATOM 768 O TYR A 55 -2.396 1.004 -17.141 1.00 0.00 O ATOM 769 CB TYR A 55 -2.950 -0.519 -14.178 1.00 0.00 C ATOM 770 CG TYR A 55 -4.351 -0.994 -13.786 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.448 -0.583 -14.515 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.517 -1.832 -12.702 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.766 -1.030 -14.146 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.836 -2.280 -12.333 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.895 -1.856 -13.073 1.00 0.00 C ATOM 776 OH TYR A 55 -8.140 -2.279 -12.724 1.00 0.00 O ATOM 0 H TYR A 55 -0.949 -1.918 -14.823 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.428 -1.082 -16.242 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.222 -0.973 -13.505 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.889 0.560 -14.033 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.318 0.074 -15.362 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.658 -2.152 -12.130 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.633 -0.716 -14.709 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.980 -2.937 -11.488 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.705 -1.503 -12.525 1.00 0.00 H new ATOM 785 N GLY A 56 -0.673 0.644 -15.721 1.00 0.00 N ATOM 786 CA GLY A 56 0.109 1.768 -16.209 1.00 0.00 C ATOM 787 C GLY A 56 0.125 2.908 -15.188 1.00 0.00 C ATOM 788 O GLY A 56 0.451 4.044 -15.528 1.00 0.00 O ATOM 0 H GLY A 56 -0.233 0.112 -14.971 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.129 1.444 -16.414 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.308 2.124 -17.151 1.00 0.00 H new ATOM 792 N VAL A 57 -0.231 2.565 -13.959 1.00 0.00 N ATOM 793 CA VAL A 57 -0.261 3.546 -12.887 1.00 0.00 C ATOM 794 C VAL A 57 1.099 4.240 -12.800 1.00 0.00 C ATOM 795 O VAL A 57 2.127 3.642 -13.111 1.00 0.00 O ATOM 796 CB VAL A 57 -0.676 2.875 -11.576 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.029 2.175 -11.722 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.398 1.897 -11.097 1.00 0.00 C ATOM 0 H VAL A 57 -0.501 1.621 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.006 4.315 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.782 3.653 -10.820 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.300 1.706 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.789 2.906 -11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.962 1.413 -12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.078 1.434 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.550 1.125 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.332 2.434 -10.934 1.00 0.00 H new ATOM 808 N LYS A 58 1.060 5.495 -12.373 1.00 0.00 N ATOM 809 CA LYS A 58 2.277 6.277 -12.241 1.00 0.00 C ATOM 810 C LYS A 58 2.787 6.178 -10.801 1.00 0.00 C ATOM 811 O LYS A 58 2.279 6.859 -9.911 1.00 0.00 O ATOM 812 CB LYS A 58 2.044 7.714 -12.713 1.00 0.00 C ATOM 813 CG LYS A 58 1.219 8.500 -11.693 1.00 0.00 C ATOM 814 CD LYS A 58 0.316 9.520 -12.387 1.00 0.00 C ATOM 815 CE LYS A 58 -0.997 8.875 -12.835 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.183 9.037 -14.295 1.00 0.00 N ATOM 0 H LYS A 58 0.205 5.988 -12.115 1.00 0.00 H new ATOM 0 HA LYS A 58 3.059 5.877 -12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.002 8.209 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.529 7.706 -13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.612 7.813 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.885 9.012 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.106 10.346 -11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.832 9.940 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.995 7.816 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.833 9.330 -12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.079 8.594 -14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.206 10.049 -14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.395 8.582 -14.798 1.00 0.00 H new ATOM 825 N ILE A 59 3.785 5.326 -10.618 1.00 0.00 N ATOM 826 CA ILE A 59 4.369 5.130 -9.303 1.00 0.00 C ATOM 827 C ILE A 59 5.848 4.768 -9.455 1.00 0.00 C ATOM 828 O ILE A 59 6.260 3.664 -9.098 1.00 0.00 O ATOM 829 CB ILE A 59 3.563 4.101 -8.506 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.192 4.660 -8.118 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.349 3.612 -7.288 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.419 3.664 -7.253 1.00 0.00 C ATOM 0 H ILE A 59 4.204 4.764 -11.359 1.00 0.00 H new ATOM 0 HA ILE A 59 4.324 6.053 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 59 3.389 3.235 -9.144 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.318 5.597 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.620 4.887 -9.018 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.753 2.882 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.279 3.148 -7.617 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.576 4.457 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.449 4.086 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.274 2.737 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.983 3.458 -6.343 1.00 0.00 H new ATOM 843 N PRO A 60 6.625 5.741 -9.999 1.00 0.00 N ATOM 844 CA PRO A 60 8.049 5.536 -10.202 1.00 0.00 C ATOM 845 C PRO A 60 8.811 5.620 -8.879 1.00 0.00 C ATOM 846 O PRO A 60 8.250 6.028 -7.862 1.00 0.00 O ATOM 847 CB PRO A 60 8.463 6.609 -11.195 1.00 0.00 C ATOM 848 CG PRO A 60 7.366 7.660 -11.154 1.00 0.00 C ATOM 849 CD PRO A 60 6.171 7.059 -10.433 1.00 0.00 C ATOM 0 HA PRO A 60 8.279 4.543 -10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.427 7.040 -10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.569 6.194 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.713 8.554 -10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.090 7.963 -12.164 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.870 7.674 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.307 6.983 -11.093 1.00 0.00 H new ATOM 854 N ASP A 61 10.075 5.227 -8.933 1.00 0.00 N ATOM 855 CA ASP A 61 10.918 5.254 -7.751 1.00 0.00 C ATOM 856 C ASP A 61 10.786 6.615 -7.065 1.00 0.00 C ATOM 857 O ASP A 61 10.701 6.691 -5.840 1.00 0.00 O ATOM 858 CB ASP A 61 12.389 5.051 -8.119 1.00 0.00 C ATOM 859 CG ASP A 61 12.967 3.684 -7.746 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.317 2.645 -7.932 1.00 0.00 O ATOM 861 OD2 ASP A 61 14.152 3.713 -7.238 1.00 0.00 O ATOM 0 H ASP A 61 10.536 4.888 -9.778 1.00 0.00 H new ATOM 0 HA ASP A 61 10.597 4.449 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.502 5.196 -9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.980 5.825 -7.629 1.00 0.00 H new ATOM 866 N GLU A 62 10.772 7.656 -7.884 1.00 0.00 N ATOM 867 CA GLU A 62 10.652 9.010 -7.372 1.00 0.00 C ATOM 868 C GLU A 62 9.453 9.115 -6.428 1.00 0.00 C ATOM 869 O GLU A 62 9.385 10.026 -5.603 1.00 0.00 O ATOM 870 CB GLU A 62 10.540 10.021 -8.515 1.00 0.00 C ATOM 871 CG GLU A 62 10.787 11.445 -8.014 1.00 0.00 C ATOM 872 CD GLU A 62 11.576 12.259 -9.043 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.325 11.683 -9.846 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.388 13.534 -8.988 1.00 0.00 O ATOM 0 H GLU A 62 10.842 7.589 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 62 11.555 9.246 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.262 9.776 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.550 9.957 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.834 11.934 -7.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.335 11.413 -7.072 1.00 0.00 H new ATOM 880 N ASP A 63 8.536 8.172 -6.579 1.00 0.00 N ATOM 881 CA ASP A 63 7.342 8.146 -5.749 1.00 0.00 C ATOM 882 C ASP A 63 7.374 6.905 -4.856 1.00 0.00 C ATOM 883 O ASP A 63 6.904 6.942 -3.720 1.00 0.00 O ATOM 884 CB ASP A 63 6.077 8.080 -6.607 1.00 0.00 C ATOM 885 CG ASP A 63 5.211 9.341 -6.581 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.523 10.315 -5.880 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.162 9.297 -7.330 1.00 0.00 O ATOM 0 H ASP A 63 8.595 7.419 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 63 7.326 9.058 -5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.366 7.877 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.473 7.236 -6.273 1.00 0.00 H new ATOM 892 N LEU A 64 7.933 5.836 -5.402 1.00 0.00 N ATOM 893 CA LEU A 64 8.031 4.585 -4.669 1.00 0.00 C ATOM 894 C LEU A 64 8.864 4.805 -3.404 1.00 0.00 C ATOM 895 O LEU A 64 8.848 3.979 -2.494 1.00 0.00 O ATOM 896 CB LEU A 64 8.568 3.474 -5.573 1.00 0.00 C ATOM 897 CG LEU A 64 8.127 2.051 -5.221 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.947 1.496 -4.055 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.624 1.996 -4.943 1.00 0.00 C ATOM 0 H LEU A 64 8.323 5.810 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 64 7.044 4.253 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.261 3.686 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.657 3.511 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 64 8.318 1.411 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.614 0.484 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.002 1.477 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.810 2.131 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.337 0.974 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.384 2.653 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.078 2.322 -5.828 1.00 0.00 H new ATOM 910 N ALA A 65 9.574 5.925 -3.389 1.00 0.00 N ATOM 911 CA ALA A 65 10.412 6.264 -2.252 1.00 0.00 C ATOM 912 C ALA A 65 9.536 6.808 -1.123 1.00 0.00 C ATOM 913 O ALA A 65 9.788 6.537 0.050 1.00 0.00 O ATOM 914 CB ALA A 65 11.487 7.260 -2.689 1.00 0.00 C ATOM 0 H ALA A 65 9.585 6.608 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 65 10.923 5.379 -1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.116 7.514 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.100 6.813 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.012 8.163 -3.072 1.00 0.00 H new ATOM 920 N GLY A 66 8.524 7.568 -1.516 1.00 0.00 N ATOM 921 CA GLY A 66 7.609 8.154 -0.551 1.00 0.00 C ATOM 922 C GLY A 66 6.561 7.134 -0.099 1.00 0.00 C ATOM 923 O GLY A 66 6.287 7.007 1.093 1.00 0.00 O ATOM 0 H GLY A 66 8.318 7.791 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.168 8.514 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.113 9.018 -0.993 1.00 0.00 H new ATOM 927 N LEU A 67 6.005 6.432 -1.076 1.00 0.00 N ATOM 928 CA LEU A 67 4.994 5.427 -0.794 1.00 0.00 C ATOM 929 C LEU A 67 5.384 4.659 0.470 1.00 0.00 C ATOM 930 O LEU A 67 6.454 4.053 0.527 1.00 0.00 O ATOM 931 CB LEU A 67 4.773 4.532 -2.015 1.00 0.00 C ATOM 932 CG LEU A 67 4.193 5.218 -3.253 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.649 4.189 -4.245 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.135 6.252 -2.862 1.00 0.00 C ATOM 0 H LEU A 67 6.236 6.539 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 67 4.032 5.899 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.727 4.081 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.106 3.719 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 67 4.998 5.755 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.242 4.703 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.454 3.525 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.862 3.605 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.739 6.725 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.325 5.759 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.586 7.010 -2.222 1.00 0.00 H new ATOM 945 N ARG A 68 4.496 4.708 1.452 1.00 0.00 N ATOM 946 CA ARG A 68 4.734 4.024 2.711 1.00 0.00 C ATOM 947 C ARG A 68 3.688 2.929 2.927 1.00 0.00 C ATOM 948 O ARG A 68 4.012 1.839 3.397 1.00 0.00 O ATOM 949 CB ARG A 68 4.687 5.002 3.888 1.00 0.00 C ATOM 950 CG ARG A 68 6.071 5.163 4.521 1.00 0.00 C ATOM 951 CD ARG A 68 5.991 5.059 6.046 1.00 0.00 C ATOM 952 NE ARG A 68 7.101 5.816 6.664 1.00 0.00 N ATOM 953 CZ ARG A 68 7.347 5.852 7.991 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.561 5.171 8.851 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.367 6.563 8.435 1.00 0.00 N ATOM 0 H ARG A 68 3.610 5.211 1.401 1.00 0.00 H new ATOM 0 HA ARG A 68 5.728 3.578 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.324 5.971 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.980 4.643 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.743 4.396 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.493 6.128 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.035 5.449 6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.039 4.013 6.350 1.00 0.00 H new ATOM 0 HE ARG A 68 7.720 6.344 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.775 4.624 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.753 5.203 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.956 7.075 7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.566 6.600 9.435 1.00 0.00 H new ATOM 964 N THR A 69 2.453 3.256 2.574 1.00 0.00 N ATOM 965 CA THR A 69 1.358 2.314 2.722 1.00 0.00 C ATOM 966 C THR A 69 0.496 2.295 1.458 1.00 0.00 C ATOM 967 O THR A 69 0.684 3.116 0.562 1.00 0.00 O ATOM 968 CB THR A 69 0.578 2.691 3.983 1.00 0.00 C ATOM 969 OG1 THR A 69 0.179 4.040 3.756 1.00 0.00 O ATOM 970 CG2 THR A 69 1.471 2.771 5.223 1.00 0.00 C ATOM 0 H THR A 69 2.187 4.161 2.186 1.00 0.00 H new ATOM 0 HA THR A 69 1.726 1.295 2.842 1.00 0.00 H new ATOM 0 HB THR A 69 -0.213 1.960 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.335 4.363 4.526 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.867 3.042 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.940 1.803 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.242 3.526 5.068 1.00 0.00 H new ATOM 978 N VAL A 70 -0.431 1.348 1.427 1.00 0.00 N ATOM 979 CA VAL A 70 -1.322 1.211 0.287 1.00 0.00 C ATOM 980 C VAL A 70 -2.007 2.552 0.017 1.00 0.00 C ATOM 981 O VAL A 70 -2.087 2.992 -1.128 1.00 0.00 O ATOM 982 CB VAL A 70 -2.314 0.071 0.533 1.00 0.00 C ATOM 983 CG1 VAL A 70 -3.059 -0.293 -0.753 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.608 -1.151 1.124 1.00 0.00 C ATOM 0 H VAL A 70 -0.584 0.669 2.172 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.760 0.947 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.050 0.416 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.757 -1.105 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.608 0.577 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.343 -0.610 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.335 -1.946 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.841 -1.498 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.145 -0.880 2.073 1.00 0.00 H new ATOM 994 N GLY A 71 -2.485 3.163 1.091 1.00 0.00 N ATOM 995 CA GLY A 71 -3.160 4.445 0.984 1.00 0.00 C ATOM 996 C GLY A 71 -2.288 5.465 0.248 1.00 0.00 C ATOM 997 O GLY A 71 -2.790 6.256 -0.549 1.00 0.00 O ATOM 0 H GLY A 71 -2.418 2.794 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.104 4.320 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.400 4.818 1.980 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.998 5.414 0.542 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.052 6.323 -0.081 1.00 0.00 C ATOM 1003 C ASP A 72 0.276 5.824 -1.491 1.00 0.00 C ATOM 1004 O ASP A 72 0.570 6.619 -2.382 1.00 0.00 O ATOM 1005 CB ASP A 72 1.255 6.388 0.712 1.00 0.00 C ATOM 1006 CG ASP A 72 1.943 7.754 0.715 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.594 8.646 -0.073 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.888 7.888 1.582 1.00 0.00 O ATOM 0 H ASP A 72 -0.585 4.757 1.204 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.506 7.313 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.052 6.098 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.947 5.651 0.304 1.00 0.00 H new ATOM 1013 N VAL A 73 0.214 4.511 -1.648 1.00 0.00 N ATOM 1014 CA VAL A 73 0.499 3.896 -2.934 1.00 0.00 C ATOM 1015 C VAL A 73 -0.732 4.013 -3.834 1.00 0.00 C ATOM 1016 O VAL A 73 -0.641 3.810 -5.045 1.00 0.00 O ATOM 1017 CB VAL A 73 0.958 2.450 -2.732 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.346 1.808 -4.065 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.111 2.375 -1.730 1.00 0.00 C ATOM 0 H VAL A 73 -0.029 3.855 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 73 1.317 4.415 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 73 0.121 1.887 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.668 0.781 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.486 1.812 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.161 2.373 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.418 1.336 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.953 2.960 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.785 2.775 -0.770 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.853 4.340 -3.211 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.101 4.487 -3.942 1.00 0.00 C ATOM 1031 C VAL A 74 -3.327 5.966 -4.263 1.00 0.00 C ATOM 1032 O VAL A 74 -3.539 6.328 -5.419 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.250 3.865 -3.145 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.578 4.020 -3.888 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.966 2.395 -2.830 1.00 0.00 C ATOM 0 H VAL A 74 -1.924 4.508 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.054 3.952 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.331 4.400 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.378 3.570 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.790 5.079 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.514 3.522 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.798 1.977 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.846 1.840 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.052 2.319 -2.242 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.277 6.780 -3.219 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.474 8.211 -3.376 1.00 0.00 C ATOM 1047 C ALA A 75 -2.597 8.720 -4.521 1.00 0.00 C ATOM 1048 O ALA A 75 -3.098 9.312 -5.475 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.172 8.916 -2.052 1.00 0.00 C ATOM 0 H ALA A 75 -3.103 6.476 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.510 8.430 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.320 9.990 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.842 8.540 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.139 8.721 -1.763 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.302 8.472 -4.388 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.350 8.897 -5.400 1.00 0.00 C ATOM 1057 C TYR A 76 -0.901 8.654 -6.807 1.00 0.00 C ATOM 1058 O TYR A 76 -0.533 9.353 -7.750 1.00 0.00 O ATOM 1059 CB TYR A 76 0.896 8.033 -5.197 1.00 0.00 C ATOM 1060 CG TYR A 76 2.025 8.737 -4.443 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.731 9.730 -3.530 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.338 8.381 -4.675 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.794 10.394 -2.820 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.400 9.044 -3.965 1.00 0.00 C ATOM 1065 CZ TYR A 76 4.076 10.017 -3.072 1.00 0.00 C ATOM 1066 OH TYR A 76 5.080 10.644 -2.402 1.00 0.00 O ATOM 0 H TYR A 76 -0.890 7.982 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.140 9.962 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.616 7.132 -4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.267 7.714 -6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.704 10.009 -3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.569 7.605 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.578 11.173 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.432 8.775 -4.138 1.00 0.00 H new ATOM 0 HH TYR A 76 5.942 10.272 -2.682 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.774 7.662 -6.904 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.379 7.319 -8.179 1.00 0.00 C ATOM 1077 C ILE A 77 -3.542 8.272 -8.460 1.00 0.00 C ATOM 1078 O ILE A 77 -3.406 9.207 -9.247 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.774 5.840 -8.204 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.732 4.982 -7.484 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.020 5.363 -9.636 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.997 3.493 -7.712 1.00 0.00 C ATOM 0 H ILE A 77 -2.077 7.085 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.660 7.447 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.713 5.728 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.735 5.237 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.752 5.199 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.299 4.309 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.825 5.947 -10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.111 5.492 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.242 2.905 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.985 3.237 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.953 3.275 -8.779 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.660 8.001 -7.802 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.845 8.822 -7.971 1.00 0.00 C ATOM 1095 C GLN A 78 -5.498 10.301 -7.788 1.00 0.00 C ATOM 1096 O GLN A 78 -5.833 11.130 -8.634 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.950 8.396 -7.002 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.363 6.942 -7.247 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.787 6.266 -5.942 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.910 6.889 -4.901 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.003 4.958 -6.056 1.00 0.00 N ATOM 0 H GLN A 78 -4.769 7.224 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.219 8.679 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.603 8.511 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.815 9.049 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.185 6.909 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.532 6.394 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.882 4.498 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.290 4.416 -5.241 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.830 10.586 -6.680 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.433 11.951 -6.377 1.00 0.00 C ATOM 1110 C LYS A 79 -3.966 12.639 -7.661 1.00 0.00 C ATOM 1111 O LYS A 79 -4.445 13.721 -7.998 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.392 11.968 -5.256 1.00 0.00 C ATOM 1113 CG LYS A 79 -3.966 11.382 -3.965 1.00 0.00 C ATOM 1114 CD LYS A 79 -4.952 12.353 -3.312 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.335 13.018 -2.080 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.278 14.486 -2.259 1.00 0.00 N ATOM 0 H LYS A 79 -4.554 9.896 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.283 12.521 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.515 11.396 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.060 12.991 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.468 10.439 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.156 11.160 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.246 13.116 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.858 11.819 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.924 12.776 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.332 12.627 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.857 14.923 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.697 14.712 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.240 14.857 -2.397 1.00 0.00 H new ATOM 1125 N LEU A 80 -3.038 11.985 -8.342 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.501 12.520 -9.580 1.00 0.00 C ATOM 1127 C LEU A 80 -3.616 12.595 -10.624 1.00 0.00 C ATOM 1128 O LEU A 80 -3.710 13.568 -11.371 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.286 11.708 -10.035 1.00 0.00 C ATOM 1130 CG LEU A 80 0.012 12.492 -10.226 1.00 0.00 C ATOM 1131 CD1 LEU A 80 -0.122 13.508 -11.362 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.453 13.152 -8.917 1.00 0.00 C ATOM 0 H LEU A 80 -2.644 11.088 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.136 13.536 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.107 10.920 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.533 11.219 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 80 0.795 11.790 -10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.816 14.052 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.355 12.987 -12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.923 14.210 -11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.379 13.703 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.322 13.838 -8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.617 12.385 -8.160 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.435 11.553 -10.644 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.541 11.488 -11.585 1.00 0.00 C ATOM 1145 C GLU A 81 -6.508 12.649 -11.348 1.00 0.00 C ATOM 1146 O GLU A 81 -6.561 13.589 -12.140 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.265 10.143 -11.487 1.00 0.00 C ATOM 1148 CG GLU A 81 -5.324 8.988 -11.835 1.00 0.00 C ATOM 1149 CD GLU A 81 -6.109 7.772 -12.333 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -6.288 7.606 -13.549 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -6.537 6.984 -11.407 1.00 0.00 O ATOM 0 H GLU A 81 -4.355 10.747 -10.024 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.140 11.575 -12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.655 10.008 -10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.120 10.136 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.618 9.308 -12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.739 8.713 -10.957 1.00 0.00 H new ATOM 1157 N GLU A 82 -7.250 12.546 -10.254 1.00 0.00 N ATOM 1158 CA GLU A 82 -8.212 13.577 -9.904 1.00 0.00 C ATOM 1159 C GLU A 82 -7.732 14.357 -8.678 1.00 0.00 C ATOM 1160 O GLU A 82 -6.889 15.245 -8.794 1.00 0.00 O ATOM 1161 CB GLU A 82 -9.597 12.974 -9.663 1.00 0.00 C ATOM 1162 CG GLU A 82 -10.207 12.460 -10.968 1.00 0.00 C ATOM 1163 CD GLU A 82 -11.683 12.851 -11.075 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -12.050 13.983 -10.727 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -12.458 11.932 -11.541 1.00 0.00 O ATOM 0 H GLU A 82 -7.204 11.765 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.294 14.270 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.522 12.156 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.253 13.725 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.657 12.868 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.110 11.375 -11.017 1.00 0.00 H new ATOM 1171 N GLU A 83 -8.289 13.996 -7.532 1.00 0.00 N ATOM 1172 CA GLU A 83 -7.929 14.651 -6.286 1.00 0.00 C ATOM 1173 C GLU A 83 -8.271 13.753 -5.096 1.00 0.00 C ATOM 1174 O GLU A 83 -7.384 13.154 -4.490 1.00 0.00 O ATOM 1175 CB GLU A 83 -8.618 16.011 -6.162 1.00 0.00 C ATOM 1176 CG GLU A 83 -8.169 16.957 -7.278 1.00 0.00 C ATOM 1177 CD GLU A 83 -8.584 18.399 -6.975 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -9.639 18.851 -7.443 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -7.767 19.055 -6.223 1.00 0.00 O ATOM 0 H GLU A 83 -8.987 13.258 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.853 14.825 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.699 15.880 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.388 16.452 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.086 16.903 -7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.605 16.641 -8.225 1.00 0.00 H new ATOM 1185 N ASN A 84 -9.560 13.687 -4.795 1.00 0.00 N ATOM 1186 CA ASN A 84 -10.031 12.872 -3.688 1.00 0.00 C ATOM 1187 C ASN A 84 -9.695 13.570 -2.369 1.00 0.00 C ATOM 1188 O ASN A 84 -8.711 13.228 -1.714 1.00 0.00 O ATOM 1189 CB ASN A 84 -9.350 11.503 -3.686 1.00 0.00 C ATOM 1190 CG ASN A 84 -10.292 10.424 -3.144 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -11.436 10.302 -3.550 1.00 0.00 O ATOM 1192 ND2 ASN A 84 -9.747 9.650 -2.210 1.00 0.00 N ATOM 0 H ASN A 84 -10.293 14.185 -5.299 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.107 12.739 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.040 11.245 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.447 11.543 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.293 8.899 -1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.783 9.807 -1.916 1.00 0.00 H new ATOM 1198 N PRO A 85 -10.554 14.560 -2.008 1.00 0.00 N ATOM 1199 CA PRO A 85 -10.358 15.308 -0.778 1.00 0.00 C ATOM 1200 C PRO A 85 -10.755 14.474 0.442 1.00 0.00 C ATOM 1201 O PRO A 85 -10.747 14.969 1.567 1.00 0.00 O ATOM 1202 CB PRO A 85 -11.204 16.561 -0.940 1.00 0.00 C ATOM 1203 CG PRO A 85 -12.200 16.250 -2.045 1.00 0.00 C ATOM 1204 CD PRO A 85 -11.729 14.993 -2.758 1.00 0.00 C ATOM 0 HA PRO A 85 -9.313 15.567 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -11.716 16.809 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.585 17.419 -1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -13.197 16.102 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.266 17.083 -2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.503 14.225 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.481 15.198 -3.799 1.00 0.00 H new ATOM 1209 N GLU A 86 -11.092 13.220 0.176 1.00 0.00 N ATOM 1210 CA GLU A 86 -11.490 12.312 1.237 1.00 0.00 C ATOM 1211 C GLU A 86 -10.282 11.936 2.097 1.00 0.00 C ATOM 1212 O GLU A 86 -10.167 12.378 3.239 1.00 0.00 O ATOM 1213 CB GLU A 86 -12.165 11.063 0.665 1.00 0.00 C ATOM 1214 CG GLU A 86 -12.754 10.198 1.782 1.00 0.00 C ATOM 1215 CD GLU A 86 -14.259 10.004 1.589 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -14.678 9.185 0.757 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -15.004 10.740 2.342 1.00 0.00 O ATOM 0 H GLU A 86 -11.097 12.812 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.217 12.821 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.954 11.356 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.440 10.482 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.257 9.228 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.565 10.667 2.748 1.00 0.00 H new ATOM 1223 N ALA A 87 -9.411 11.126 1.515 1.00 0.00 N ATOM 1224 CA ALA A 87 -8.215 10.686 2.213 1.00 0.00 C ATOM 1225 C ALA A 87 -7.712 9.385 1.586 1.00 0.00 C ATOM 1226 O ALA A 87 -7.407 8.426 2.295 1.00 0.00 O ATOM 1227 CB ALA A 87 -8.522 10.533 3.704 1.00 0.00 C ATOM 0 H ALA A 87 -9.509 10.762 0.567 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.421 11.426 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.625 10.203 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.847 11.491 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.313 9.795 3.839 1.00 0.00 H new ATOM 1233 N ALA A 88 -7.641 9.392 0.262 1.00 0.00 N ATOM 1234 CA ALA A 88 -7.180 8.224 -0.468 1.00 0.00 C ATOM 1235 C ALA A 88 -7.769 6.963 0.169 1.00 0.00 C ATOM 1236 O ALA A 88 -7.122 5.916 0.195 1.00 0.00 O ATOM 1237 CB ALA A 88 -5.650 8.206 -0.492 1.00 0.00 C ATOM 0 H ALA A 88 -7.895 10.188 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.521 8.260 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.305 7.329 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.283 9.108 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.271 8.168 0.529 1.00 0.00 H new ATOM 1243 N GLN A 89 -8.988 7.105 0.669 1.00 0.00 N ATOM 1244 CA GLN A 89 -9.670 5.991 1.305 1.00 0.00 C ATOM 1245 C GLN A 89 -8.836 5.451 2.468 1.00 0.00 C ATOM 1246 O GLN A 89 -8.059 4.513 2.297 1.00 0.00 O ATOM 1247 CB GLN A 89 -9.978 4.886 0.292 1.00 0.00 C ATOM 1248 CG GLN A 89 -10.363 5.478 -1.065 1.00 0.00 C ATOM 1249 CD GLN A 89 -10.346 4.405 -2.156 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -11.312 4.195 -2.872 1.00 0.00 O ATOM 1251 NE2 GLN A 89 -9.198 3.739 -2.242 1.00 0.00 N ATOM 0 H GLN A 89 -9.521 7.975 0.646 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.620 6.351 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.108 4.240 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.791 4.262 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.356 5.923 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.671 6.278 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.429 3.965 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.087 3.002 -2.938 1.00 0.00 H new ATOM 1258 N ALA A 90 -9.025 6.069 3.626 1.00 0.00 N ATOM 1259 CA ALA A 90 -8.299 5.662 4.817 1.00 0.00 C ATOM 1260 C ALA A 90 -8.779 6.493 6.010 1.00 0.00 C ATOM 1261 O ALA A 90 -9.282 5.943 6.989 1.00 0.00 O ATOM 1262 CB ALA A 90 -6.795 5.808 4.573 1.00 0.00 C ATOM 0 H ALA A 90 -9.670 6.847 3.764 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.492 4.614 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.250 5.503 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.500 5.177 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.563 6.848 4.344 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.608 7.800 5.887 1.00 0.00 N ATOM 1269 CA LEU A 91 -9.018 8.711 6.942 1.00 0.00 C ATOM 1270 C LEU A 91 -8.454 8.224 8.278 1.00 0.00 C ATOM 1271 O LEU A 91 -7.762 7.207 8.330 1.00 0.00 O ATOM 1272 CB LEU A 91 -10.538 8.881 6.943 1.00 0.00 C ATOM 1273 CG LEU A 91 -11.073 10.141 6.257 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -12.599 10.104 6.155 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -10.575 11.402 6.966 1.00 0.00 C ATOM 0 H LEU A 91 -8.191 8.251 5.073 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.609 9.706 6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.981 8.011 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.883 8.880 7.977 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.684 10.169 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.953 11.010 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.904 9.234 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.029 10.041 7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.969 12.283 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.915 11.396 8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.486 11.426 6.942 1.00 0.00 H new ATOM 1286 N ARG A 92 -8.771 8.970 9.326 1.00 0.00 N ATOM 1287 CA ARG A 92 -8.304 8.627 10.659 1.00 0.00 C ATOM 1288 C ARG A 92 -6.791 8.400 10.649 1.00 0.00 C ATOM 1289 O ARG A 92 -6.329 7.263 10.723 1.00 0.00 O ATOM 1290 CB ARG A 92 -8.998 7.365 11.177 1.00 0.00 C ATOM 1291 CG ARG A 92 -10.488 7.618 11.416 1.00 0.00 C ATOM 1292 CD ARG A 92 -11.273 6.304 11.416 1.00 0.00 C ATOM 1293 NE ARG A 92 -11.237 5.692 12.762 1.00 0.00 N ATOM 1294 CZ ARG A 92 -12.120 5.969 13.744 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -13.119 6.853 13.537 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -11.992 5.363 14.910 1.00 0.00 N ATOM 0 H ARG A 92 -9.346 9.811 9.279 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.546 9.459 11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.874 6.556 10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.527 7.041 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.626 8.128 12.369 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.877 8.279 10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.305 6.488 11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.848 5.617 10.684 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.498 5.018 12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.210 7.317 12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.782 7.057 14.284 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.234 4.697 15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.651 5.561 15.663 1.00 0.00 H new ATOM 1305 N ALA A 93 -6.061 9.503 10.558 1.00 0.00 N ATOM 1306 CA ALA A 93 -4.609 9.440 10.538 1.00 0.00 C ATOM 1307 C ALA A 93 -4.133 9.220 9.100 1.00 0.00 C ATOM 1308 O ALA A 93 -3.543 8.185 8.790 1.00 0.00 O ATOM 1309 CB ALA A 93 -4.133 8.337 11.485 1.00 0.00 C ATOM 0 H ALA A 93 -6.448 10.445 10.497 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.179 10.378 10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.044 8.290 11.470 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.473 8.555 12.497 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.542 7.379 11.163 1.00 0.00 H new ATOM 1315 N LYS A 94 -4.406 10.209 8.262 1.00 0.00 N ATOM 1316 CA LYS A 94 -4.011 10.136 6.866 1.00 0.00 C ATOM 1317 C LYS A 94 -2.627 10.766 6.697 1.00 0.00 C ATOM 1318 O LYS A 94 -2.141 11.452 7.595 1.00 0.00 O ATOM 1319 CB LYS A 94 -5.085 10.762 5.973 1.00 0.00 C ATOM 1320 CG LYS A 94 -5.161 10.045 4.624 1.00 0.00 C ATOM 1321 CD LYS A 94 -5.486 8.561 4.807 1.00 0.00 C ATOM 1322 CE LYS A 94 -4.332 7.683 4.322 1.00 0.00 C ATOM 1323 NZ LYS A 94 -4.413 7.485 2.857 1.00 0.00 N ATOM 0 H LYS A 94 -4.896 11.065 8.523 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.929 9.097 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.053 10.711 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.863 11.818 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.924 10.514 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.212 10.151 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.686 8.356 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.393 8.313 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.380 8.147 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.364 6.718 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.632 6.873 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.321 7.038 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.343 8.405 2.378 1.00 0.00 H new ATOM 1332 N ILE A 95 -2.034 10.513 5.540 1.00 0.00 N ATOM 1333 CA ILE A 95 -0.716 11.046 5.243 1.00 0.00 C ATOM 1334 C ILE A 95 -0.611 12.471 5.794 1.00 0.00 C ATOM 1335 O ILE A 95 0.456 12.889 6.241 1.00 0.00 O ATOM 1336 CB ILE A 95 -0.422 10.944 3.745 1.00 0.00 C ATOM 1337 CG1 ILE A 95 0.898 11.636 3.396 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -1.590 11.485 2.918 1.00 0.00 C ATOM 1339 CD1 ILE A 95 2.069 10.656 3.477 1.00 0.00 C ATOM 0 H ILE A 95 -2.442 9.946 4.797 1.00 0.00 H new ATOM 0 HA ILE A 95 0.054 10.454 5.737 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.309 9.890 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.839 12.055 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.068 12.468 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.355 11.401 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.489 10.909 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.760 12.532 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.995 11.173 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.141 10.257 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.908 9.838 2.775 1.00 0.00 H new ATOM 1350 N GLU A 96 -1.732 13.174 5.742 1.00 0.00 N ATOM 1351 CA GLU A 96 -1.779 14.542 6.231 1.00 0.00 C ATOM 1352 C GLU A 96 -2.098 14.561 7.727 1.00 0.00 C ATOM 1353 O GLU A 96 -1.191 14.613 8.557 1.00 0.00 O ATOM 1354 CB GLU A 96 -2.797 15.371 5.443 1.00 0.00 C ATOM 1355 CG GLU A 96 -2.100 16.452 4.615 1.00 0.00 C ATOM 1356 CD GLU A 96 -1.879 15.984 3.176 1.00 0.00 C ATOM 1357 OE1 GLU A 96 -2.122 14.809 2.862 1.00 0.00 O ATOM 1358 OE2 GLU A 96 -1.438 16.888 2.369 1.00 0.00 O ATOM 0 H GLU A 96 -2.614 12.823 5.369 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.798 14.994 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.372 14.719 4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.505 15.834 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.702 17.361 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.142 16.703 5.071 1.00 0.00 H new ATOM 1364 N SER A 97 -3.388 14.518 8.026 1.00 0.00 N ATOM 1365 CA SER A 97 -3.836 14.529 9.408 1.00 0.00 C ATOM 1366 C SER A 97 -5.346 14.772 9.465 1.00 0.00 C ATOM 1367 O SER A 97 -5.825 15.528 10.308 1.00 0.00 O ATOM 1368 CB SER A 97 -3.096 15.594 10.219 1.00 0.00 C ATOM 1369 OG SER A 97 -2.379 15.030 11.313 1.00 0.00 O ATOM 0 H SER A 97 -4.137 14.475 7.335 1.00 0.00 H new ATOM 0 HA SER A 97 -3.613 13.557 9.848 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.403 16.128 9.569 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.811 16.326 10.593 1.00 0.00 H new ATOM 0 HG SER A 97 -1.919 15.742 11.805 1.00 0.00 H new ATOM 1374 N GLU A 98 -6.054 14.116 8.558 1.00 0.00 N ATOM 1375 CA GLU A 98 -7.499 14.251 8.494 1.00 0.00 C ATOM 1376 C GLU A 98 -8.132 13.812 9.817 1.00 0.00 C ATOM 1377 O GLU A 98 -8.156 14.577 10.781 1.00 0.00 O ATOM 1378 CB GLU A 98 -8.074 13.454 7.322 1.00 0.00 C ATOM 1379 CG GLU A 98 -7.766 14.140 5.989 1.00 0.00 C ATOM 1380 CD GLU A 98 -6.408 13.695 5.444 1.00 0.00 C ATOM 1381 OE1 GLU A 98 -6.350 12.852 4.537 1.00 0.00 O ATOM 1382 OE2 GLU A 98 -5.387 14.259 5.996 1.00 0.00 O ATOM 0 H GLU A 98 -5.653 13.489 7.861 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.738 15.301 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.656 12.447 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.153 13.351 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.547 13.905 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.771 15.222 6.123 1.00 0.00 H new ATOM 1388 N ASN A 99 -8.627 12.583 9.821 1.00 0.00 N ATOM 1389 CA ASN A 99 -9.257 12.035 11.009 1.00 0.00 C ATOM 1390 C ASN A 99 -10.368 12.979 11.474 1.00 0.00 C ATOM 1391 O ASN A 99 -10.114 13.922 12.221 1.00 0.00 O ATOM 1392 CB ASN A 99 -8.249 11.892 12.152 1.00 0.00 C ATOM 1393 CG ASN A 99 -8.961 11.636 13.482 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -10.096 11.193 13.533 1.00 0.00 O ATOM 1395 ND2 ASN A 99 -8.231 11.940 14.553 1.00 0.00 N ATOM 0 H ASN A 99 -8.604 11.952 9.020 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.656 11.053 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -7.565 11.071 11.938 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -7.647 12.798 12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.616 11.805 15.488 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.286 12.307 14.439 1.00 0.00 H new ATOM 1401 N PRO A 100 -11.608 12.682 11.002 1.00 0.00 N ATOM 1402 CA PRO A 100 -12.759 13.493 11.361 1.00 0.00 C ATOM 1403 C PRO A 100 -13.202 13.212 12.798 1.00 0.00 C ATOM 1404 O PRO A 100 -13.914 14.013 13.402 1.00 0.00 O ATOM 1405 CB PRO A 100 -13.823 13.144 10.333 1.00 0.00 C ATOM 1406 CG PRO A 100 -13.395 11.819 9.723 1.00 0.00 C ATOM 1407 CD PRO A 100 -11.947 11.572 10.117 1.00 0.00 C ATOM 0 HA PRO A 100 -12.542 14.561 11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.804 13.060 10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -13.898 13.919 9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.032 11.010 10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.496 11.848 8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.833 10.613 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.297 11.550 9.242 1.00 0.00 H new ATOM 1412 N ASP A 101 -12.761 12.069 13.306 1.00 0.00 N ATOM 1413 CA ASP A 101 -13.103 11.671 14.661 1.00 0.00 C ATOM 1414 C ASP A 101 -12.301 10.425 15.040 1.00 0.00 C ATOM 1415 O ASP A 101 -12.313 9.430 14.317 1.00 0.00 O ATOM 1416 CB ASP A 101 -14.590 11.330 14.776 1.00 0.00 C ATOM 1417 CG ASP A 101 -15.224 11.650 16.131 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -15.319 12.820 16.531 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -15.636 10.624 16.797 1.00 0.00 O ATOM 0 H ASP A 101 -12.170 11.407 12.803 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.872 12.503 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.132 11.872 14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -14.720 10.267 14.573 1.00 0.00 H new ATOM 1424 N ALA A 102 -11.620 10.521 16.173 1.00 0.00 N ATOM 1425 CA ALA A 102 -10.813 9.414 16.657 1.00 0.00 C ATOM 1426 C ALA A 102 -10.186 9.793 17.999 1.00 0.00 C ATOM 1427 O ALA A 102 -8.995 9.573 18.218 1.00 0.00 O ATOM 1428 CB ALA A 102 -9.763 9.049 15.606 1.00 0.00 C ATOM 0 H ALA A 102 -11.611 11.348 16.769 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.432 8.532 16.820 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.158 8.219 15.969 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.260 8.758 14.681 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.122 9.910 15.418 1.00 0.00 H new ATOM 1434 N VAL A 103 -11.015 10.358 18.865 1.00 0.00 N ATOM 1435 CA VAL A 103 -10.557 10.771 20.180 1.00 0.00 C ATOM 1436 C VAL A 103 -10.932 9.698 21.206 1.00 0.00 C ATOM 1437 O VAL A 103 -11.161 8.545 20.847 1.00 0.00 O ATOM 1438 CB VAL A 103 -11.124 12.150 20.524 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -12.514 12.030 21.152 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -10.173 12.921 21.441 1.00 0.00 C ATOM 0 H VAL A 103 -12.002 10.539 18.681 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.471 10.869 20.192 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.223 12.712 19.596 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -12.894 13.024 21.387 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.189 11.540 20.451 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.450 11.440 22.067 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.600 13.897 21.670 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.027 12.363 22.366 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.213 13.053 20.942 1.00 0.00 H new ATOM 1450 N ALA A 104 -10.981 10.118 22.462 1.00 0.00 N ATOM 1451 CA ALA A 104 -11.325 9.208 23.541 1.00 0.00 C ATOM 1452 C ALA A 104 -10.096 8.372 23.907 1.00 0.00 C ATOM 1453 O ALA A 104 -10.224 7.211 24.294 1.00 0.00 O ATOM 1454 CB ALA A 104 -12.515 8.343 23.121 1.00 0.00 C ATOM 0 H ALA A 104 -10.788 11.076 22.756 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.624 9.763 24.430 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.773 7.661 23.931 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.370 8.982 22.900 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.252 7.769 22.233 1.00 0.00 H new ATOM 1460 N ASN A 105 -8.934 8.995 23.772 1.00 0.00 N ATOM 1461 CA ASN A 105 -7.685 8.323 24.083 1.00 0.00 C ATOM 1462 C ASN A 105 -7.801 7.644 25.450 1.00 0.00 C ATOM 1463 O ASN A 105 -8.557 8.096 26.308 1.00 0.00 O ATOM 1464 CB ASN A 105 -6.525 9.319 24.147 1.00 0.00 C ATOM 1465 CG ASN A 105 -5.915 9.540 22.762 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -5.973 10.619 22.195 1.00 0.00 O ATOM 1467 ND2 ASN A 105 -5.329 8.461 22.250 1.00 0.00 N ATOM 0 H ASN A 105 -8.832 9.958 23.451 1.00 0.00 H new ATOM 0 HA ASN A 105 -7.491 7.593 23.297 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -6.878 10.269 24.548 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.761 8.949 24.830 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.892 8.506 21.329 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.316 7.589 22.778 1.00 0.00 H new ATOM 1473 N VAL A 106 -7.043 6.570 25.608 1.00 0.00 N ATOM 1474 CA VAL A 106 -7.052 5.825 26.856 1.00 0.00 C ATOM 1475 C VAL A 106 -5.628 5.753 27.412 1.00 0.00 C ATOM 1476 O VAL A 106 -4.703 6.322 26.836 1.00 0.00 O ATOM 1477 CB VAL A 106 -7.680 4.447 26.637 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -8.585 4.064 27.811 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -8.445 4.397 25.315 1.00 0.00 C ATOM 0 H VAL A 106 -6.418 6.197 24.893 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.666 6.332 27.600 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.873 3.716 26.584 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.019 3.081 27.630 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.998 4.039 28.729 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.383 4.800 27.910 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.881 3.407 25.184 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.238 5.144 25.325 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.762 4.604 24.491 1.00 0.00 H new ATOM 1489 N GLN A 107 -5.498 5.047 28.526 1.00 0.00 N ATOM 1490 CA GLN A 107 -4.203 4.894 29.167 1.00 0.00 C ATOM 1491 C GLN A 107 -3.631 3.505 28.880 1.00 0.00 C ATOM 1492 O GLN A 107 -3.350 2.741 29.804 1.00 0.00 O ATOM 1493 CB GLN A 107 -4.303 5.145 30.672 1.00 0.00 C ATOM 1494 CG GLN A 107 -2.915 5.164 31.319 1.00 0.00 C ATOM 1495 CD GLN A 107 -2.509 6.587 31.704 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -3.312 7.507 31.720 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -1.223 6.719 32.013 1.00 0.00 N ATOM 0 H GLN A 107 -6.268 4.575 29.001 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.524 5.639 28.753 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.806 6.095 30.853 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.913 4.369 31.134 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.914 4.530 32.205 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.182 4.747 30.628 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.605 5.909 31.979 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -0.855 7.631 32.284 1.00 0.00 H new ATOM 1504 N ALA A 108 -3.475 3.217 27.596 1.00 0.00 N ATOM 1505 CA ALA A 108 -2.941 1.933 27.175 1.00 0.00 C ATOM 1506 C ALA A 108 -4.069 0.901 27.148 1.00 0.00 C ATOM 1507 O ALA A 108 -3.868 -0.255 27.519 1.00 0.00 O ATOM 1508 CB ALA A 108 -1.799 1.524 28.108 1.00 0.00 C ATOM 0 H ALA A 108 -3.709 3.852 26.833 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.531 2.000 26.167 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -1.398 0.561 27.792 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.010 2.275 28.069 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.174 1.444 29.128 1.00 0.00 H new ATOM 1514 N ARG A 109 -5.233 1.354 26.706 1.00 0.00 N ATOM 1515 CA ARG A 109 -6.394 0.484 26.626 1.00 0.00 C ATOM 1516 C ARG A 109 -6.331 -0.587 27.717 1.00 0.00 C ATOM 1517 O ARG A 109 -6.367 -1.781 27.423 1.00 0.00 O ATOM 1518 CB ARG A 109 -6.480 -0.195 25.258 1.00 0.00 C ATOM 1519 CG ARG A 109 -5.242 -1.056 24.994 1.00 0.00 C ATOM 1520 CD ARG A 109 -4.196 -0.279 24.191 1.00 0.00 C ATOM 1521 NE ARG A 109 -3.151 -1.203 23.697 1.00 0.00 N ATOM 1522 CZ ARG A 109 -2.332 -0.933 22.658 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -2.430 0.240 21.995 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -1.433 -1.830 22.301 1.00 0.00 N ATOM 0 H ARG A 109 -5.397 2.313 26.399 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.281 1.101 26.769 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.375 -0.815 25.211 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -6.575 0.561 24.478 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.811 -1.381 25.941 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.529 -1.956 24.450 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.672 0.227 23.351 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.746 0.493 24.815 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.043 -2.100 24.171 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.126 0.929 22.278 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.808 0.436 21.211 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.364 -2.713 22.808 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -0.807 -1.641 21.518 1.00 0.00 H new ATOM 1533 N LEU A 110 -6.238 -0.122 28.954 1.00 0.00 N ATOM 1534 CA LEU A 110 -6.169 -1.025 30.090 1.00 0.00 C ATOM 1535 C LEU A 110 -6.788 -0.346 31.314 1.00 0.00 C ATOM 1536 O LEU A 110 -6.898 0.878 31.359 1.00 0.00 O ATOM 1537 CB LEU A 110 -4.731 -1.499 30.312 1.00 0.00 C ATOM 1538 CG LEU A 110 -4.566 -2.769 31.148 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -5.255 -3.961 30.480 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -3.089 -3.048 31.434 1.00 0.00 C ATOM 0 H LEU A 110 -6.209 0.869 29.195 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.751 -1.926 29.896 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.270 -1.666 29.339 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.175 -0.695 30.794 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.057 -2.611 32.108 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.122 -4.850 31.096 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.319 -3.752 30.370 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.816 -4.131 29.497 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.999 -3.956 32.030 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.554 -3.177 30.493 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.660 -2.210 31.983 1.00 0.00 H new ATOM 1551 N GLU A 111 -7.175 -1.171 32.276 1.00 0.00 N ATOM 1552 CA GLU A 111 -7.780 -0.665 33.496 1.00 0.00 C ATOM 1553 C GLU A 111 -8.957 0.253 33.164 1.00 0.00 C ATOM 1554 O GLU A 111 -8.777 1.454 32.971 1.00 0.00 O ATOM 1555 CB GLU A 111 -6.746 0.059 34.361 1.00 0.00 C ATOM 1556 CG GLU A 111 -5.718 -0.924 34.925 1.00 0.00 C ATOM 1557 CD GLU A 111 -6.021 -1.254 36.389 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -5.652 -0.483 37.287 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -6.664 -2.356 36.577 1.00 0.00 O ATOM 0 H GLU A 111 -7.081 -2.186 32.235 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.156 -1.512 34.070 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.239 0.820 33.768 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.248 0.575 35.179 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.722 -1.840 34.334 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.718 -0.497 34.844 1.00 0.00 H new ATOM 1565 N ALA A 112 -10.137 -0.347 33.108 1.00 0.00 N ATOM 1566 CA ALA A 112 -11.345 0.402 32.803 1.00 0.00 C ATOM 1567 C ALA A 112 -12.378 0.166 33.906 1.00 0.00 C ATOM 1568 O ALA A 112 -13.462 -0.351 33.644 1.00 0.00 O ATOM 1569 CB ALA A 112 -11.863 -0.005 31.422 1.00 0.00 C ATOM 0 H ALA A 112 -10.283 -1.344 33.269 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.136 1.471 32.771 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.769 0.556 31.193 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -11.103 0.210 30.671 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.087 -1.072 31.417 1.00 0.00 H new ATOM 1575 N GLU A 113 -12.005 0.559 35.116 1.00 0.00 N ATOM 1576 CA GLU A 113 -12.886 0.397 36.259 1.00 0.00 C ATOM 1577 C GLU A 113 -12.348 1.178 37.460 1.00 0.00 C ATOM 1578 O GLU A 113 -13.030 2.050 37.994 1.00 0.00 O ATOM 1579 CB GLU A 113 -13.070 -1.083 36.605 1.00 0.00 C ATOM 1580 CG GLU A 113 -14.549 -1.419 36.807 1.00 0.00 C ATOM 1581 CD GLU A 113 -14.789 -2.925 36.689 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -14.436 -3.682 37.606 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -15.366 -3.302 35.599 1.00 0.00 O ATOM 0 H GLU A 113 -11.105 0.989 35.329 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.865 0.800 35.998 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.659 -1.701 35.807 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.512 -1.320 37.511 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.874 -1.071 37.787 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.150 -0.892 36.066 1.00 0.00 H new ATOM 1589 N SER A 114 -11.127 0.836 37.848 1.00 0.00 N ATOM 1590 CA SER A 114 -10.488 1.494 38.975 1.00 0.00 C ATOM 1591 C SER A 114 -11.274 1.213 40.257 1.00 0.00 C ATOM 1592 O SER A 114 -12.477 1.462 40.320 1.00 0.00 O ATOM 1593 CB SER A 114 -10.375 3.001 38.739 1.00 0.00 C ATOM 1594 OG SER A 114 -9.642 3.649 39.776 1.00 0.00 O ATOM 0 H SER A 114 -10.564 0.112 37.402 1.00 0.00 H new ATOM 0 HA SER A 114 -9.479 1.094 39.080 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.887 3.183 37.782 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.373 3.434 38.675 1.00 0.00 H new ATOM 0 HG SER A 114 -9.590 4.610 39.589 1.00 0.00 H new ATOM 1599 N LYS A 115 -10.561 0.701 41.250 1.00 0.00 N ATOM 1600 CA LYS A 115 -11.176 0.385 42.527 1.00 0.00 C ATOM 1601 C LYS A 115 -11.269 1.656 43.373 1.00 0.00 C ATOM 1602 O LYS A 115 -10.991 2.752 42.886 1.00 0.00 O ATOM 1603 CB LYS A 115 -10.425 -0.757 43.216 1.00 0.00 C ATOM 1604 CG LYS A 115 -11.157 -1.211 44.480 1.00 0.00 C ATOM 1605 CD LYS A 115 -10.220 -1.990 45.405 1.00 0.00 C ATOM 1606 CE LYS A 115 -10.233 -1.404 46.819 1.00 0.00 C ATOM 1607 NZ LYS A 115 -11.522 -1.694 47.488 1.00 0.00 N ATOM 0 H LYS A 115 -9.563 0.497 41.195 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.194 0.024 42.379 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.324 -1.597 42.529 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -9.417 -0.431 43.472 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.555 -0.343 45.006 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.008 -1.836 44.208 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.523 -3.036 45.438 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.206 -1.965 45.006 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.412 -1.823 47.401 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.074 -0.327 46.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.515 -1.290 48.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -12.300 -1.273 46.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -11.658 -2.723 47.548 1.00 0.00 H new TER 1616 LYS A 115