USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 4 THR OG1 : rot -89:sc= 0.61! USER MOD Set 1.2: A 7 THR OG1 : rot 130:sc= 0.459 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00762) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0807 (180deg=-0.795) USER MOD Single : A 2 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 3 TYR OH : rot -39:sc= 0.227 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= -0.306 (180deg=-1.12!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 56:sc= -0.748! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.97) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -37:sc= -0.623 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.279 USER MOD Single : A 38 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.9!) USER MOD Single : A 50 HIS : no HE2:sc= -2.93! C(o=-2.9!,f=-3.8!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.66 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -158:sc= 0.0874 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.499 K(o=0.5,f=-2.7!) USER MOD Single : A 81 HIS : no HE2:sc= -1 K(o=-1,f=-2.7) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.868 -16.692 -10.525 1.00 0.00 N ATOM 2 CA MET A 1 -19.528 -17.651 -11.614 1.00 0.00 C ATOM 3 C MET A 1 -18.095 -18.137 -11.430 1.00 0.00 C ATOM 4 O MET A 1 -17.809 -19.324 -11.574 1.00 0.00 O ATOM 5 CB MET A 1 -19.670 -16.948 -12.967 1.00 0.00 C ATOM 6 CG MET A 1 -21.134 -16.542 -13.182 1.00 0.00 C ATOM 7 SD MET A 1 -22.174 -18.018 -13.327 1.00 0.00 S ATOM 8 CE MET A 1 -21.917 -18.326 -15.094 1.00 0.00 C ATOM 0 H1 MET A 1 -20.900 -16.658 -10.402 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.424 -17.003 -9.637 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.517 -15.745 -10.774 1.00 0.00 H new ATOM 0 HA MET A 1 -20.203 -18.506 -11.579 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.029 -16.067 -13.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.344 -17.610 -13.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.475 -15.928 -12.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.223 -15.935 -14.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.536 -19.166 -15.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.193 -17.437 -15.662 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.868 -18.560 -15.274 1.00 0.00 H new ATOM 20 N GLN A 2 -17.196 -17.206 -11.107 1.00 0.00 N ATOM 21 CA GLN A 2 -15.788 -17.547 -10.903 1.00 0.00 C ATOM 22 C GLN A 2 -15.170 -16.646 -9.840 1.00 0.00 C ATOM 23 O GLN A 2 -14.245 -17.048 -9.136 1.00 0.00 O ATOM 24 CB GLN A 2 -15.016 -17.379 -12.214 1.00 0.00 C ATOM 25 CG GLN A 2 -13.587 -17.906 -12.044 1.00 0.00 C ATOM 26 CD GLN A 2 -12.762 -17.584 -13.280 1.00 0.00 C ATOM 27 OE1 GLN A 2 -12.880 -18.255 -14.306 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.930 -16.582 -13.240 1.00 0.00 N ATOM 0 H GLN A 2 -17.415 -16.218 -10.982 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.730 -18.584 -10.572 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.520 -17.919 -13.016 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.994 -16.328 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.128 -17.457 -11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.605 -18.983 -11.880 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.837 -16.030 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.372 -16.349 -14.061 1.00 0.00 H new ATOM 37 N TYR A 3 -15.675 -15.423 -9.737 1.00 0.00 N ATOM 38 CA TYR A 3 -15.149 -14.477 -8.763 1.00 0.00 C ATOM 39 C TYR A 3 -15.713 -14.788 -7.386 1.00 0.00 C ATOM 40 O TYR A 3 -16.901 -15.079 -7.246 1.00 0.00 O ATOM 41 CB TYR A 3 -15.535 -13.054 -9.160 1.00 0.00 C ATOM 42 CG TYR A 3 -15.066 -12.784 -10.568 1.00 0.00 C ATOM 43 CD1 TYR A 3 -13.780 -12.278 -10.808 1.00 0.00 C ATOM 44 CD2 TYR A 3 -15.927 -13.043 -11.639 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.363 -12.033 -12.119 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.508 -12.798 -12.949 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.226 -12.292 -13.190 1.00 0.00 C ATOM 48 OH TYR A 3 -13.814 -12.051 -14.483 1.00 0.00 O ATOM 0 H TYR A 3 -16.440 -15.066 -10.310 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.063 -14.563 -8.738 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.615 -12.926 -9.094 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.086 -12.338 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.114 -12.078 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.917 -13.433 -11.453 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.373 -11.643 -12.306 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.173 -12.999 -13.775 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.285 -11.226 -14.509 1.00 0.00 H new ATOM 58 N THR A 4 -14.857 -14.738 -6.370 1.00 0.00 N ATOM 59 CA THR A 4 -15.286 -15.033 -5.000 1.00 0.00 C ATOM 60 C THR A 4 -14.655 -14.037 -4.023 1.00 0.00 C ATOM 61 O THR A 4 -13.619 -13.439 -4.316 1.00 0.00 O ATOM 62 CB THR A 4 -14.891 -16.482 -4.615 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.913 -16.461 -3.582 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.323 -17.215 -5.837 1.00 0.00 C ATOM 0 H THR A 4 -13.870 -14.499 -6.464 1.00 0.00 H new ATOM 0 HA THR A 4 -16.371 -14.939 -4.945 1.00 0.00 H new ATOM 0 HB THR A 4 -15.780 -17.004 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.018 -16.423 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.049 -18.232 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.076 -17.247 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.440 -16.688 -6.200 1.00 0.00 H new ATOM 72 N PRO A 5 -15.263 -13.845 -2.879 1.00 0.00 N ATOM 73 CA PRO A 5 -14.751 -12.899 -1.842 1.00 0.00 C ATOM 74 C PRO A 5 -13.423 -13.361 -1.239 1.00 0.00 C ATOM 75 O PRO A 5 -12.625 -12.544 -0.782 1.00 0.00 O ATOM 76 CB PRO A 5 -15.867 -12.877 -0.782 1.00 0.00 C ATOM 77 CG PRO A 5 -16.590 -14.173 -0.954 1.00 0.00 C ATOM 78 CD PRO A 5 -16.502 -14.509 -2.443 1.00 0.00 C ATOM 0 HA PRO A 5 -14.538 -11.914 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.455 -12.785 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.536 -12.029 -0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.135 -14.957 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.628 -14.086 -0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.459 -15.585 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.369 -14.137 -2.989 1.00 0.00 H new ATOM 86 N ASP A 6 -13.192 -14.674 -1.231 1.00 0.00 N ATOM 87 CA ASP A 6 -11.958 -15.224 -0.671 1.00 0.00 C ATOM 88 C ASP A 6 -11.399 -16.306 -1.581 1.00 0.00 C ATOM 89 O ASP A 6 -11.795 -17.468 -1.489 1.00 0.00 O ATOM 90 CB ASP A 6 -12.242 -15.815 0.711 1.00 0.00 C ATOM 91 CG ASP A 6 -10.949 -16.329 1.335 1.00 0.00 C ATOM 92 OD1 ASP A 6 -9.970 -16.433 0.617 1.00 0.00 O ATOM 93 OD2 ASP A 6 -10.962 -16.614 2.521 1.00 0.00 O ATOM 0 H ASP A 6 -13.837 -15.371 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.224 -14.423 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.690 -15.058 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.963 -16.628 0.627 1.00 0.00 H new ATOM 98 N THR A 7 -10.474 -15.925 -2.456 1.00 0.00 N ATOM 99 CA THR A 7 -9.867 -16.882 -3.376 1.00 0.00 C ATOM 100 C THR A 7 -8.370 -16.609 -3.495 1.00 0.00 C ATOM 101 O THR A 7 -7.953 -15.483 -3.770 1.00 0.00 O ATOM 102 CB THR A 7 -10.543 -16.763 -4.757 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.822 -16.175 -4.593 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.724 -18.147 -5.384 1.00 0.00 C ATOM 0 H THR A 7 -10.130 -14.969 -2.548 1.00 0.00 H new ATOM 0 HA THR A 7 -10.007 -17.894 -2.995 1.00 0.00 H new ATOM 0 HB THR A 7 -9.915 -16.152 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.924 -15.432 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.202 -18.045 -6.358 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.750 -18.621 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.348 -18.761 -4.735 1.00 0.00 H new ATOM 112 N ALA A 8 -7.565 -17.647 -3.312 1.00 0.00 N ATOM 113 CA ALA A 8 -6.118 -17.505 -3.429 1.00 0.00 C ATOM 114 C ALA A 8 -5.706 -17.746 -4.874 1.00 0.00 C ATOM 115 O ALA A 8 -5.642 -18.890 -5.324 1.00 0.00 O ATOM 116 CB ALA A 8 -5.422 -18.523 -2.525 1.00 0.00 C ATOM 0 H ALA A 8 -7.884 -18.589 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.828 -16.499 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.342 -18.412 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.718 -18.352 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.710 -19.531 -2.823 1.00 0.00 H new ATOM 122 N TRP A 9 -5.448 -16.659 -5.604 1.00 0.00 N ATOM 123 CA TRP A 9 -5.067 -16.759 -7.014 1.00 0.00 C ATOM 124 C TRP A 9 -3.560 -16.631 -7.161 1.00 0.00 C ATOM 125 O TRP A 9 -2.928 -15.822 -6.481 1.00 0.00 O ATOM 126 CB TRP A 9 -5.761 -15.652 -7.826 1.00 0.00 C ATOM 127 CG TRP A 9 -7.192 -16.017 -8.088 1.00 0.00 C ATOM 128 CD1 TRP A 9 -7.915 -16.913 -7.375 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.082 -15.514 -9.123 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.187 -16.989 -7.907 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.337 -16.151 -8.986 1.00 0.00 C ATOM 132 CE3 TRP A 9 -7.923 -14.585 -10.163 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.400 -15.867 -9.836 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -8.991 -14.296 -11.025 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.227 -14.940 -10.866 1.00 0.00 C ATOM 0 H TRP A 9 -5.495 -15.705 -5.245 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.380 -17.732 -7.392 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.713 -14.709 -7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.238 -15.502 -8.771 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.555 -17.477 -6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.925 -17.593 -7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.973 -14.090 -10.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.352 -16.359 -9.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.861 -13.573 -11.816 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.043 -14.719 -11.538 1.00 0.00 H new ATOM 146 N LYS A 10 -2.992 -17.428 -8.058 1.00 0.00 N ATOM 147 CA LYS A 10 -1.555 -17.398 -8.305 1.00 0.00 C ATOM 148 C LYS A 10 -1.259 -16.550 -9.530 1.00 0.00 C ATOM 149 O LYS A 10 -1.744 -16.833 -10.623 1.00 0.00 O ATOM 150 CB LYS A 10 -1.040 -18.819 -8.521 1.00 0.00 C ATOM 151 CG LYS A 10 0.486 -18.793 -8.636 1.00 0.00 C ATOM 152 CD LYS A 10 1.045 -20.221 -8.576 1.00 0.00 C ATOM 153 CE LYS A 10 0.737 -20.973 -9.875 1.00 0.00 C ATOM 154 NZ LYS A 10 1.187 -20.165 -11.042 1.00 0.00 N ATOM 0 H LYS A 10 -3.504 -18.103 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.052 -16.962 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.343 -19.458 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.477 -19.243 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.780 -18.318 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.909 -18.195 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.122 -20.190 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.611 -20.753 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.240 -21.940 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.333 -21.170 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.410 -20.797 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.430 -19.510 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.036 -19.623 -10.782 1.00 0.00 H new ATOM 168 N ILE A 11 -0.469 -15.501 -9.332 1.00 0.00 N ATOM 169 CA ILE A 11 -0.126 -14.596 -10.419 1.00 0.00 C ATOM 170 C ILE A 11 0.891 -15.247 -11.349 1.00 0.00 C ATOM 171 O ILE A 11 1.924 -15.744 -10.902 1.00 0.00 O ATOM 172 CB ILE A 11 0.469 -13.301 -9.854 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.402 -12.794 -8.705 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.502 -12.233 -10.948 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.256 -11.571 -8.062 1.00 0.00 C ATOM 0 H ILE A 11 -0.056 -15.258 -8.432 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.034 -14.370 -10.978 1.00 0.00 H new ATOM 0 HB ILE A 11 1.479 -13.501 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.394 -12.533 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.535 -13.580 -7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.925 -11.313 -10.545 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.116 -12.582 -11.778 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.511 -12.042 -11.301 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.367 -11.211 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.238 -11.846 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.366 -10.783 -8.807 1.00 0.00 H new ATOM 187 N THR A 12 0.591 -15.241 -12.647 1.00 0.00 N ATOM 188 CA THR A 12 1.485 -15.832 -13.643 1.00 0.00 C ATOM 189 C THR A 12 2.123 -14.744 -14.504 1.00 0.00 C ATOM 190 O THR A 12 3.334 -14.747 -14.729 1.00 0.00 O ATOM 191 CB THR A 12 0.698 -16.796 -14.533 1.00 0.00 C ATOM 192 OG1 THR A 12 0.229 -17.882 -13.749 1.00 0.00 O ATOM 193 CG2 THR A 12 1.600 -17.319 -15.652 1.00 0.00 C ATOM 0 H THR A 12 -0.261 -14.835 -13.033 1.00 0.00 H new ATOM 0 HA THR A 12 2.275 -16.375 -13.124 1.00 0.00 H new ATOM 0 HB THR A 12 -0.150 -16.273 -14.974 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.277 -18.500 -14.316 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.036 -18.005 -16.283 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.956 -16.482 -16.253 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.452 -17.843 -15.218 1.00 0.00 H new ATOM 201 N GLY A 13 1.299 -13.817 -14.986 1.00 0.00 N ATOM 202 CA GLY A 13 1.796 -12.731 -15.822 1.00 0.00 C ATOM 203 C GLY A 13 0.650 -11.938 -16.436 1.00 0.00 C ATOM 204 O GLY A 13 -0.499 -12.373 -16.421 1.00 0.00 O ATOM 0 H GLY A 13 0.294 -13.796 -14.814 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.422 -12.067 -15.226 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.426 -13.137 -16.614 1.00 0.00 H new ATOM 208 N PHE A 14 0.973 -10.768 -16.980 1.00 0.00 N ATOM 209 CA PHE A 14 -0.034 -9.915 -17.608 1.00 0.00 C ATOM 210 C PHE A 14 -0.208 -10.302 -19.081 1.00 0.00 C ATOM 211 O PHE A 14 0.688 -10.885 -19.690 1.00 0.00 O ATOM 212 CB PHE A 14 0.381 -8.437 -17.491 1.00 0.00 C ATOM 213 CG PHE A 14 1.881 -8.341 -17.375 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.488 -8.532 -16.132 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.660 -8.068 -18.503 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.879 -8.445 -16.012 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.051 -7.978 -18.386 1.00 0.00 C ATOM 218 CZ PHE A 14 4.661 -8.168 -17.140 1.00 0.00 C ATOM 0 H PHE A 14 1.920 -10.389 -16.999 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.986 -10.055 -17.095 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.037 -7.882 -18.364 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.091 -7.984 -16.619 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.883 -8.747 -15.263 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.188 -7.927 -19.464 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.349 -8.591 -15.051 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.654 -7.762 -19.256 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.735 -8.101 -17.049 1.00 0.00 H new ATOM 228 N SER A 15 -1.367 -9.964 -19.640 1.00 0.00 N ATOM 229 CA SER A 15 -1.658 -10.266 -21.038 1.00 0.00 C ATOM 230 C SER A 15 -0.876 -9.341 -21.957 1.00 0.00 C ATOM 231 O SER A 15 -0.354 -8.315 -21.528 1.00 0.00 O ATOM 232 CB SER A 15 -3.159 -10.115 -21.301 1.00 0.00 C ATOM 233 OG SER A 15 -3.836 -11.256 -20.797 1.00 0.00 O ATOM 0 H SER A 15 -2.119 -9.482 -19.147 1.00 0.00 H new ATOM 0 HA SER A 15 -1.358 -11.294 -21.242 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.536 -9.212 -20.821 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.345 -10.009 -22.370 1.00 0.00 H new ATOM 0 HG SER A 15 -3.620 -11.372 -19.848 1.00 0.00 H new ATOM 239 N ARG A 16 -0.793 -9.720 -23.220 1.00 0.00 N ATOM 240 CA ARG A 16 -0.070 -8.926 -24.194 1.00 0.00 C ATOM 241 C ARG A 16 -0.815 -7.627 -24.478 1.00 0.00 C ATOM 242 O ARG A 16 -0.208 -6.565 -24.611 1.00 0.00 O ATOM 243 CB ARG A 16 0.100 -9.720 -25.488 1.00 0.00 C ATOM 244 CG ARG A 16 1.122 -9.014 -26.373 1.00 0.00 C ATOM 245 CD ARG A 16 1.280 -9.777 -27.690 1.00 0.00 C ATOM 246 NE ARG A 16 2.353 -9.196 -28.493 1.00 0.00 N ATOM 247 CZ ARG A 16 2.172 -8.065 -29.168 1.00 0.00 C ATOM 248 NH1 ARG A 16 1.021 -7.454 -29.118 1.00 0.00 N ATOM 249 NH2 ARG A 16 3.145 -7.568 -29.885 1.00 0.00 N ATOM 0 H ARG A 16 -1.216 -10.570 -23.593 1.00 0.00 H new ATOM 0 HA ARG A 16 0.913 -8.685 -23.789 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.431 -10.735 -25.266 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.855 -9.802 -26.007 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.801 -7.991 -26.571 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.082 -8.953 -25.860 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.498 -10.825 -27.486 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.344 -9.749 -28.248 1.00 0.00 H new ATOM 0 HE ARG A 16 3.257 -9.666 -28.537 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.260 -7.844 -28.561 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.881 -6.586 -29.636 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.044 -8.048 -29.927 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.005 -6.700 -30.403 1.00 0.00 H new ATOM 263 N GLU A 17 -2.137 -7.724 -24.577 1.00 0.00 N ATOM 264 CA GLU A 17 -2.965 -6.557 -24.856 1.00 0.00 C ATOM 265 C GLU A 17 -2.961 -5.606 -23.663 1.00 0.00 C ATOM 266 O GLU A 17 -3.406 -4.463 -23.766 1.00 0.00 O ATOM 267 CB GLU A 17 -4.401 -6.996 -25.160 1.00 0.00 C ATOM 268 CG GLU A 17 -5.192 -5.814 -25.731 1.00 0.00 C ATOM 269 CD GLU A 17 -6.577 -6.270 -26.175 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.776 -7.468 -26.292 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.420 -5.415 -26.392 1.00 0.00 O ATOM 0 H GLU A 17 -2.656 -8.595 -24.469 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.555 -6.038 -25.723 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.396 -7.821 -25.872 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.880 -7.362 -24.252 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.283 -5.031 -24.978 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.655 -5.383 -26.576 1.00 0.00 H new ATOM 278 N ILE A 18 -2.453 -6.084 -22.533 1.00 0.00 N ATOM 279 CA ILE A 18 -2.398 -5.268 -21.321 1.00 0.00 C ATOM 280 C ILE A 18 -1.979 -3.839 -21.654 1.00 0.00 C ATOM 281 O ILE A 18 -1.199 -3.607 -22.578 1.00 0.00 O ATOM 282 CB ILE A 18 -1.406 -5.879 -20.334 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.487 -5.151 -18.984 1.00 0.00 C ATOM 284 CG2 ILE A 18 0.015 -5.748 -20.891 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.843 -5.408 -18.303 1.00 0.00 C ATOM 0 H ILE A 18 -2.075 -7.026 -22.428 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.391 -5.244 -20.872 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.653 -6.931 -20.190 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.679 -5.489 -18.335 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.348 -4.080 -19.134 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.723 -6.184 -20.187 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.082 -6.272 -21.844 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.252 -4.694 -21.039 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.876 -4.882 -17.349 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.647 -5.047 -18.945 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.968 -6.477 -18.132 1.00 0.00 H new ATOM 297 N SER A 19 -2.506 -2.886 -20.896 1.00 0.00 N ATOM 298 CA SER A 19 -2.184 -1.484 -21.121 1.00 0.00 C ATOM 299 C SER A 19 -0.786 -1.165 -20.581 1.00 0.00 C ATOM 300 O SER A 19 -0.278 -1.860 -19.700 1.00 0.00 O ATOM 301 CB SER A 19 -3.240 -0.590 -20.446 1.00 0.00 C ATOM 302 OG SER A 19 -4.154 -0.128 -21.433 1.00 0.00 O ATOM 0 H SER A 19 -3.153 -3.057 -20.126 1.00 0.00 H new ATOM 0 HA SER A 19 -2.190 -1.287 -22.193 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.770 -1.149 -19.675 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.759 0.255 -19.953 1.00 0.00 H new ATOM 0 HG SER A 19 -4.831 0.441 -21.011 1.00 0.00 H new ATOM 308 N PRO A 20 -0.165 -0.130 -21.088 1.00 0.00 N ATOM 309 CA PRO A 20 1.196 0.294 -20.643 1.00 0.00 C ATOM 310 C PRO A 20 1.204 0.725 -19.175 1.00 0.00 C ATOM 311 O PRO A 20 2.210 0.581 -18.481 1.00 0.00 O ATOM 312 CB PRO A 20 1.537 1.472 -21.579 1.00 0.00 C ATOM 313 CG PRO A 20 0.218 1.973 -22.073 1.00 0.00 C ATOM 314 CD PRO A 20 -0.693 0.750 -22.141 1.00 0.00 C ATOM 0 HA PRO A 20 1.924 -0.515 -20.701 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.081 2.253 -21.048 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.170 1.148 -22.405 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.190 2.728 -21.401 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.319 2.440 -23.053 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.734 1.015 -21.958 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.652 0.273 -23.120 1.00 0.00 H new ATOM 322 N ALA A 21 0.082 1.262 -18.710 1.00 0.00 N ATOM 323 CA ALA A 21 -0.013 1.718 -17.326 1.00 0.00 C ATOM 324 C ALA A 21 0.138 0.555 -16.349 1.00 0.00 C ATOM 325 O ALA A 21 1.016 0.565 -15.485 1.00 0.00 O ATOM 326 CB ALA A 21 -1.361 2.405 -17.100 1.00 0.00 C ATOM 0 H ALA A 21 -0.766 1.392 -19.262 1.00 0.00 H new ATOM 0 HA ALA A 21 0.797 2.424 -17.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.428 2.744 -16.066 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.450 3.261 -17.769 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.167 1.700 -17.304 1.00 0.00 H new ATOM 332 N TYR A 22 -0.718 -0.447 -16.494 1.00 0.00 N ATOM 333 CA TYR A 22 -0.674 -1.609 -15.617 1.00 0.00 C ATOM 334 C TYR A 22 0.660 -2.332 -15.758 1.00 0.00 C ATOM 335 O TYR A 22 1.295 -2.708 -14.768 1.00 0.00 O ATOM 336 CB TYR A 22 -1.823 -2.557 -15.965 1.00 0.00 C ATOM 337 CG TYR A 22 -1.800 -3.741 -15.036 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.965 -4.824 -15.316 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.614 -3.758 -13.895 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.936 -5.924 -14.458 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.585 -4.862 -13.035 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.747 -5.946 -13.318 1.00 0.00 C ATOM 343 OH TYR A 22 -1.716 -7.034 -12.470 1.00 0.00 O ATOM 0 H TYR A 22 -1.447 -0.479 -17.206 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.779 -1.277 -14.584 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.776 -2.035 -15.882 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.732 -2.891 -16.999 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.341 -4.811 -16.197 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.262 -2.921 -13.680 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.287 -6.760 -14.674 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.209 -4.877 -12.154 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.338 -6.888 -11.727 1.00 0.00 H new ATOM 353 N ARG A 23 1.086 -2.523 -16.994 1.00 0.00 N ATOM 354 CA ARG A 23 2.341 -3.203 -17.246 1.00 0.00 C ATOM 355 C ARG A 23 3.481 -2.474 -16.535 1.00 0.00 C ATOM 356 O ARG A 23 4.350 -3.101 -15.920 1.00 0.00 O ATOM 357 CB ARG A 23 2.606 -3.251 -18.750 1.00 0.00 C ATOM 358 CG ARG A 23 3.781 -4.189 -19.024 1.00 0.00 C ATOM 359 CD ARG A 23 4.162 -4.130 -20.505 1.00 0.00 C ATOM 360 NE ARG A 23 3.105 -4.705 -21.329 1.00 0.00 N ATOM 361 CZ ARG A 23 3.226 -4.768 -22.652 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.301 -4.311 -23.234 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.270 -5.289 -23.370 1.00 0.00 N ATOM 0 H ARG A 23 0.586 -2.220 -17.830 1.00 0.00 H new ATOM 0 HA ARG A 23 2.282 -4.221 -16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.717 -3.598 -19.277 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.828 -2.252 -19.124 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.635 -3.905 -18.409 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.515 -5.209 -18.749 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.339 -3.096 -20.800 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.094 -4.672 -20.669 1.00 0.00 H new ATOM 0 HE ARG A 23 2.260 -5.064 -20.884 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.050 -3.905 -22.674 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.392 -4.360 -24.249 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.430 -5.648 -22.917 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.363 -5.337 -24.385 1.00 0.00 H new ATOM 377 N GLN A 24 3.466 -1.148 -16.619 1.00 0.00 N ATOM 378 CA GLN A 24 4.494 -0.340 -15.979 1.00 0.00 C ATOM 379 C GLN A 24 4.469 -0.557 -14.472 1.00 0.00 C ATOM 380 O GLN A 24 5.518 -0.605 -13.830 1.00 0.00 O ATOM 381 CB GLN A 24 4.275 1.143 -16.282 1.00 0.00 C ATOM 382 CG GLN A 24 5.500 1.942 -15.831 1.00 0.00 C ATOM 383 CD GLN A 24 6.682 1.638 -16.743 1.00 0.00 C ATOM 384 OE1 GLN A 24 6.521 1.553 -17.961 1.00 0.00 O ATOM 385 NE2 GLN A 24 7.866 1.467 -16.225 1.00 0.00 N ATOM 0 H GLN A 24 2.757 -0.614 -17.121 1.00 0.00 H new ATOM 0 HA GLN A 24 5.464 -0.645 -16.373 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.107 1.286 -17.349 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.384 1.502 -15.768 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.277 3.009 -15.853 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.750 1.690 -14.801 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.996 1.538 -15.216 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.662 1.262 -16.829 1.00 0.00 H new ATOM 394 N LYS A 25 3.272 -0.690 -13.907 1.00 0.00 N ATOM 395 CA LYS A 25 3.153 -0.908 -12.470 1.00 0.00 C ATOM 396 C LYS A 25 3.878 -2.185 -12.081 1.00 0.00 C ATOM 397 O LYS A 25 4.579 -2.230 -11.070 1.00 0.00 O ATOM 398 CB LYS A 25 1.683 -1.006 -12.052 1.00 0.00 C ATOM 399 CG LYS A 25 1.032 0.369 -12.159 1.00 0.00 C ATOM 400 CD LYS A 25 -0.441 0.268 -11.765 1.00 0.00 C ATOM 401 CE LYS A 25 -1.090 1.647 -11.870 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.524 1.549 -11.480 1.00 0.00 N ATOM 0 H LYS A 25 2.386 -0.652 -14.412 1.00 0.00 H new ATOM 0 HA LYS A 25 3.604 -0.059 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.159 -1.719 -12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.608 -1.377 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.545 1.078 -11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.122 0.747 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.955 -0.439 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.531 -0.112 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.573 2.355 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.004 2.025 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.968 2.487 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.012 0.886 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.595 1.206 -10.501 1.00 0.00 H new ATOM 416 N LEU A 26 3.729 -3.221 -12.898 1.00 0.00 N ATOM 417 CA LEU A 26 4.410 -4.482 -12.620 1.00 0.00 C ATOM 418 C LEU A 26 5.920 -4.297 -12.689 1.00 0.00 C ATOM 419 O LEU A 26 6.666 -4.875 -11.899 1.00 0.00 O ATOM 420 CB LEU A 26 3.959 -5.577 -13.609 1.00 0.00 C ATOM 421 CG LEU A 26 2.733 -6.326 -13.062 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.088 -7.074 -11.756 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.595 -5.331 -12.815 1.00 0.00 C ATOM 0 H LEU A 26 3.156 -3.217 -13.742 1.00 0.00 H new ATOM 0 HA LEU A 26 4.142 -4.799 -11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.718 -5.128 -14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.775 -6.279 -13.780 1.00 0.00 H new ATOM 0 HG LEU A 26 2.412 -7.064 -13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.207 -7.597 -11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.882 -7.795 -11.954 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.426 -6.358 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.725 -5.862 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.917 -4.583 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.332 -4.839 -13.752 1.00 0.00 H new ATOM 435 N LEU A 27 6.365 -3.505 -13.643 1.00 0.00 N ATOM 436 CA LEU A 27 7.789 -3.262 -13.798 1.00 0.00 C ATOM 437 C LEU A 27 8.269 -2.179 -12.835 1.00 0.00 C ATOM 438 O LEU A 27 9.454 -2.115 -12.505 1.00 0.00 O ATOM 439 CB LEU A 27 8.077 -2.835 -15.235 1.00 0.00 C ATOM 440 CG LEU A 27 9.596 -2.582 -15.422 1.00 0.00 C ATOM 441 CD1 LEU A 27 10.068 -3.169 -16.757 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.890 -1.074 -15.415 1.00 0.00 C ATOM 0 H LEU A 27 5.771 -3.022 -14.317 1.00 0.00 H new ATOM 0 HA LEU A 27 8.324 -4.184 -13.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.741 -3.608 -15.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.518 -1.930 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 27 10.125 -3.062 -14.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.136 -2.986 -16.878 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.881 -4.243 -16.769 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.524 -2.697 -17.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.960 -0.911 -15.547 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.347 -0.594 -16.229 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.573 -0.646 -14.464 1.00 0.00 H new ATOM 454 N SER A 28 7.355 -1.311 -12.412 1.00 0.00 N ATOM 455 CA SER A 28 7.710 -0.211 -11.516 1.00 0.00 C ATOM 456 C SER A 28 8.271 -0.726 -10.194 1.00 0.00 C ATOM 457 O SER A 28 9.285 -0.228 -9.703 1.00 0.00 O ATOM 458 CB SER A 28 6.475 0.646 -11.240 1.00 0.00 C ATOM 459 OG SER A 28 5.508 -0.135 -10.551 1.00 0.00 O ATOM 0 H SER A 28 6.369 -1.345 -12.672 1.00 0.00 H new ATOM 0 HA SER A 28 8.480 0.385 -12.006 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.748 1.517 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.059 1.018 -12.176 1.00 0.00 H new ATOM 0 HG SER A 28 5.527 -1.054 -10.891 1.00 0.00 H new ATOM 465 N LEU A 29 7.595 -1.721 -9.627 1.00 0.00 N ATOM 466 CA LEU A 29 8.011 -2.316 -8.355 1.00 0.00 C ATOM 467 C LEU A 29 8.685 -3.664 -8.605 1.00 0.00 C ATOM 468 O LEU A 29 8.531 -4.257 -9.674 1.00 0.00 O ATOM 469 CB LEU A 29 6.787 -2.494 -7.428 1.00 0.00 C ATOM 470 CG LEU A 29 5.514 -2.691 -8.262 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.672 -3.912 -9.177 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.322 -2.898 -7.322 1.00 0.00 C ATOM 0 H LEU A 29 6.754 -2.135 -10.028 1.00 0.00 H new ATOM 0 HA LEU A 29 8.725 -1.651 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.939 -3.353 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.678 -1.620 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 29 5.344 -1.808 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.764 -4.045 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.519 -3.758 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.845 -4.801 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.415 -3.038 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.494 -3.780 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.207 -2.023 -6.682 1.00 0.00 H new ATOM 484 N GLY A 30 9.435 -4.132 -7.613 1.00 0.00 N ATOM 485 CA GLY A 30 10.139 -5.405 -7.721 1.00 0.00 C ATOM 486 C GLY A 30 9.220 -6.573 -7.362 1.00 0.00 C ATOM 487 O GLY A 30 9.675 -7.594 -6.844 1.00 0.00 O ATOM 0 H GLY A 30 9.571 -3.649 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.514 -5.532 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.005 -5.403 -7.059 1.00 0.00 H new ATOM 491 N MET A 31 7.927 -6.417 -7.643 1.00 0.00 N ATOM 492 CA MET A 31 6.939 -7.463 -7.355 1.00 0.00 C ATOM 493 C MET A 31 6.417 -8.036 -8.656 1.00 0.00 C ATOM 494 O MET A 31 5.289 -7.761 -9.065 1.00 0.00 O ATOM 495 CB MET A 31 5.768 -6.882 -6.557 1.00 0.00 C ATOM 496 CG MET A 31 6.256 -6.453 -5.177 1.00 0.00 C ATOM 497 SD MET A 31 4.890 -5.704 -4.259 1.00 0.00 S ATOM 498 CE MET A 31 5.873 -5.051 -2.888 1.00 0.00 C ATOM 0 H MET A 31 7.536 -5.577 -8.070 1.00 0.00 H new ATOM 0 HA MET A 31 7.418 -8.247 -6.768 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.342 -6.029 -7.085 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.976 -7.625 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.644 -7.314 -4.633 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.076 -5.741 -5.275 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.219 -4.537 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.380 -5.872 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.614 -4.350 -3.273 1.00 0.00 H new ATOM 508 N LEU A 32 7.253 -8.818 -9.316 1.00 0.00 N ATOM 509 CA LEU A 32 6.878 -9.410 -10.587 1.00 0.00 C ATOM 510 C LEU A 32 6.057 -10.684 -10.368 1.00 0.00 C ATOM 511 O LEU A 32 6.194 -11.347 -9.338 1.00 0.00 O ATOM 512 CB LEU A 32 8.150 -9.716 -11.395 1.00 0.00 C ATOM 513 CG LEU A 32 8.684 -8.451 -12.097 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.818 -8.066 -13.314 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.736 -7.293 -11.094 1.00 0.00 C ATOM 0 H LEU A 32 8.191 -9.057 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 32 6.258 -8.707 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.917 -10.118 -10.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.936 -10.484 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 32 9.688 -8.663 -12.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.226 -7.170 -13.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.819 -8.884 -14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.797 -7.871 -12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.113 -6.399 -11.590 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.735 -7.099 -10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.397 -7.556 -10.268 1.00 0.00 H new ATOM 527 N PRO A 33 5.210 -11.035 -11.307 1.00 0.00 N ATOM 528 CA PRO A 33 4.363 -12.252 -11.203 1.00 0.00 C ATOM 529 C PRO A 33 5.122 -13.422 -10.594 1.00 0.00 C ATOM 530 O PRO A 33 6.347 -13.385 -10.464 1.00 0.00 O ATOM 531 CB PRO A 33 3.982 -12.557 -12.656 1.00 0.00 C ATOM 532 CG PRO A 33 4.035 -11.239 -13.371 1.00 0.00 C ATOM 533 CD PRO A 33 4.958 -10.311 -12.567 1.00 0.00 C ATOM 0 HA PRO A 33 3.501 -12.095 -10.554 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.674 -13.273 -13.101 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.986 -12.996 -12.716 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.412 -11.369 -14.386 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.037 -10.808 -13.454 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.886 -10.114 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.486 -9.346 -12.382 1.00 0.00 H new ATOM 541 N GLY A 34 4.382 -14.462 -10.235 1.00 0.00 N ATOM 542 CA GLY A 34 4.975 -15.657 -9.646 1.00 0.00 C ATOM 543 C GLY A 34 4.459 -15.875 -8.226 1.00 0.00 C ATOM 544 O GLY A 34 4.586 -16.964 -7.669 1.00 0.00 O ATOM 0 H GLY A 34 3.368 -14.503 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.740 -16.526 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.061 -15.561 -9.632 1.00 0.00 H new ATOM 548 N SER A 35 3.864 -14.828 -7.651 1.00 0.00 N ATOM 549 CA SER A 35 3.312 -14.901 -6.298 1.00 0.00 C ATOM 550 C SER A 35 1.801 -15.100 -6.353 1.00 0.00 C ATOM 551 O SER A 35 1.237 -15.347 -7.420 1.00 0.00 O ATOM 552 CB SER A 35 3.629 -13.618 -5.528 1.00 0.00 C ATOM 553 OG SER A 35 5.037 -13.499 -5.374 1.00 0.00 O ATOM 0 H SER A 35 3.752 -13.920 -8.102 1.00 0.00 H new ATOM 0 HA SER A 35 3.767 -15.749 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.236 -12.753 -6.062 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.145 -13.637 -4.552 1.00 0.00 H new ATOM 0 HG SER A 35 5.244 -12.677 -4.882 1.00 0.00 H new ATOM 559 N SER A 36 1.153 -14.992 -5.195 1.00 0.00 N ATOM 560 CA SER A 36 -0.298 -15.160 -5.110 1.00 0.00 C ATOM 561 C SER A 36 -0.918 -14.031 -4.301 1.00 0.00 C ATOM 562 O SER A 36 -0.252 -13.404 -3.476 1.00 0.00 O ATOM 563 CB SER A 36 -0.629 -16.501 -4.457 1.00 0.00 C ATOM 564 OG SER A 36 -0.172 -17.556 -5.294 1.00 0.00 O ATOM 0 H SER A 36 1.607 -14.790 -4.304 1.00 0.00 H new ATOM 0 HA SER A 36 -0.709 -15.137 -6.119 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.156 -16.568 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.704 -16.586 -4.299 1.00 0.00 H new ATOM 0 HG SER A 36 -0.381 -18.418 -4.877 1.00 0.00 H new ATOM 570 N PHE A 37 -2.203 -13.779 -4.543 1.00 0.00 N ATOM 571 CA PHE A 37 -2.920 -12.722 -3.834 1.00 0.00 C ATOM 572 C PHE A 37 -4.325 -13.192 -3.466 1.00 0.00 C ATOM 573 O PHE A 37 -4.873 -14.106 -4.089 1.00 0.00 O ATOM 574 CB PHE A 37 -3.010 -11.470 -4.715 1.00 0.00 C ATOM 575 CG PHE A 37 -3.946 -11.723 -5.876 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.489 -12.370 -7.030 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.281 -11.315 -5.786 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.368 -12.606 -8.095 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.160 -11.552 -6.848 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.703 -12.198 -8.001 1.00 0.00 C ATOM 0 H PHE A 37 -2.767 -14.290 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.375 -12.482 -2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.367 -10.625 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.020 -11.204 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.459 -12.687 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.634 -10.816 -4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.016 -13.102 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.190 -11.236 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.382 -12.382 -8.820 1.00 0.00 H new ATOM 590 N ASN A 38 -4.900 -12.556 -2.445 1.00 0.00 N ATOM 591 CA ASN A 38 -6.244 -12.899 -1.980 1.00 0.00 C ATOM 592 C ASN A 38 -7.214 -11.762 -2.270 1.00 0.00 C ATOM 593 O ASN A 38 -6.848 -10.578 -2.229 1.00 0.00 O ATOM 594 CB ASN A 38 -6.217 -13.182 -0.478 1.00 0.00 C ATOM 595 CG ASN A 38 -5.409 -14.444 -0.205 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.362 -15.346 -1.041 1.00 0.00 O ATOM 597 ND2 ASN A 38 -4.761 -14.562 0.921 1.00 0.00 N ATOM 0 H ASN A 38 -4.456 -11.800 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.579 -13.790 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.779 -12.337 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.233 -13.302 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.215 -15.402 1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.801 -13.814 1.613 1.00 0.00 H new ATOM 604 N VAL A 39 -8.457 -12.125 -2.560 1.00 0.00 N ATOM 605 CA VAL A 39 -9.481 -11.133 -2.857 1.00 0.00 C ATOM 606 C VAL A 39 -10.134 -10.641 -1.571 1.00 0.00 C ATOM 607 O VAL A 39 -10.561 -11.437 -0.736 1.00 0.00 O ATOM 608 CB VAL A 39 -10.555 -11.744 -3.761 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.494 -10.638 -4.261 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.895 -12.446 -4.953 1.00 0.00 C ATOM 0 H VAL A 39 -8.779 -13.092 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.007 -10.293 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.130 -12.476 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.259 -11.073 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.970 -10.152 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.921 -9.902 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.665 -12.879 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.313 -11.723 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.237 -13.236 -4.591 1.00 0.00 H new ATOM 620 N VAL A 40 -10.209 -9.325 -1.416 1.00 0.00 N ATOM 621 CA VAL A 40 -10.820 -8.736 -0.231 1.00 0.00 C ATOM 622 C VAL A 40 -12.335 -8.948 -0.228 1.00 0.00 C ATOM 623 O VAL A 40 -12.934 -9.209 0.816 1.00 0.00 O ATOM 624 CB VAL A 40 -10.483 -7.236 -0.161 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.691 -6.581 -1.534 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.380 -6.545 0.880 1.00 0.00 C ATOM 0 H VAL A 40 -9.856 -8.648 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.415 -9.233 0.650 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.439 -7.126 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.449 -5.520 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.041 -7.059 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.731 -6.699 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.136 -5.484 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.426 -6.665 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.215 -6.996 1.859 1.00 0.00 H new ATOM 636 N ARG A 41 -12.946 -8.808 -1.397 1.00 0.00 N ATOM 637 CA ARG A 41 -14.389 -8.958 -1.519 1.00 0.00 C ATOM 638 C ARG A 41 -14.799 -8.899 -2.982 1.00 0.00 C ATOM 639 O ARG A 41 -14.051 -8.401 -3.823 1.00 0.00 O ATOM 640 CB ARG A 41 -15.091 -7.834 -0.746 1.00 0.00 C ATOM 641 CG ARG A 41 -14.779 -6.479 -1.394 1.00 0.00 C ATOM 642 CD ARG A 41 -15.340 -5.356 -0.518 1.00 0.00 C ATOM 643 NE ARG A 41 -16.797 -5.410 -0.503 1.00 0.00 N ATOM 644 CZ ARG A 41 -17.510 -4.532 0.196 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.905 -3.599 0.880 1.00 0.00 N ATOM 646 NH2 ARG A 41 -18.813 -4.601 0.197 1.00 0.00 N ATOM 0 H ARG A 41 -12.467 -8.592 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.680 -9.924 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.168 -8.004 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.761 -7.834 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.702 -6.359 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.217 -6.431 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.955 -5.450 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.008 -4.389 -0.897 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.277 -6.134 -1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.886 -3.544 0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.451 -2.925 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -19.286 -5.329 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.359 -3.927 0.734 1.00 0.00 H new ATOM 660 N VAL A 42 -15.996 -9.391 -3.281 1.00 0.00 N ATOM 661 CA VAL A 42 -16.507 -9.368 -4.649 1.00 0.00 C ATOM 662 C VAL A 42 -17.953 -8.888 -4.648 1.00 0.00 C ATOM 663 O VAL A 42 -18.844 -9.591 -4.176 1.00 0.00 O ATOM 664 CB VAL A 42 -16.419 -10.769 -5.254 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.138 -10.798 -6.605 1.00 0.00 C ATOM 666 CG2 VAL A 42 -14.946 -11.133 -5.448 1.00 0.00 C ATOM 0 H VAL A 42 -16.629 -9.809 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.907 -8.684 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.894 -11.487 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.072 -11.799 -7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.186 -10.532 -6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.669 -10.084 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.872 -12.131 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.478 -10.412 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.437 -11.115 -4.484 1.00 0.00 H new ATOM 676 N ALA A 43 -18.185 -7.688 -5.177 1.00 0.00 N ATOM 677 CA ALA A 43 -19.539 -7.135 -5.220 1.00 0.00 C ATOM 678 C ALA A 43 -20.214 -7.464 -6.569 1.00 0.00 C ATOM 679 O ALA A 43 -19.804 -6.938 -7.602 1.00 0.00 O ATOM 680 CB ALA A 43 -19.486 -5.614 -5.028 1.00 0.00 C ATOM 0 H ALA A 43 -17.465 -7.086 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.123 -7.583 -4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.497 -5.208 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.034 -5.385 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.889 -5.167 -5.823 1.00 0.00 H new ATOM 686 N PRO A 44 -21.233 -8.310 -6.592 1.00 0.00 N ATOM 687 CA PRO A 44 -21.943 -8.676 -7.860 1.00 0.00 C ATOM 688 C PRO A 44 -22.876 -7.563 -8.340 1.00 0.00 C ATOM 689 O PRO A 44 -23.380 -7.597 -9.462 1.00 0.00 O ATOM 690 CB PRO A 44 -22.719 -9.952 -7.494 1.00 0.00 C ATOM 691 CG PRO A 44 -22.966 -9.850 -6.020 1.00 0.00 C ATOM 692 CD PRO A 44 -21.823 -9.006 -5.429 1.00 0.00 C ATOM 0 HA PRO A 44 -21.253 -8.829 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.656 -10.016 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.144 -10.846 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.931 -9.384 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.990 -10.840 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.195 -8.297 -4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.086 -9.633 -4.927 1.00 0.00 H new ATOM 700 N LEU A 45 -23.113 -6.583 -7.472 1.00 0.00 N ATOM 701 CA LEU A 45 -24.002 -5.473 -7.807 1.00 0.00 C ATOM 702 C LEU A 45 -23.553 -4.788 -9.098 1.00 0.00 C ATOM 703 O LEU A 45 -24.218 -3.875 -9.586 1.00 0.00 O ATOM 704 CB LEU A 45 -24.025 -4.455 -6.657 1.00 0.00 C ATOM 705 CG LEU A 45 -24.928 -4.968 -5.531 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.367 -6.283 -4.978 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.988 -3.922 -4.415 1.00 0.00 C ATOM 0 H LEU A 45 -22.706 -6.534 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.006 -5.870 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.015 -4.294 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.388 -3.493 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.931 -5.144 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.012 -6.645 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.327 -7.025 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.363 -6.115 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.630 -4.283 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.985 -3.746 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.392 -2.990 -4.811 1.00 0.00 H new ATOM 719 N GLY A 46 -22.426 -5.237 -9.646 1.00 0.00 N ATOM 720 CA GLY A 46 -21.896 -4.665 -10.882 1.00 0.00 C ATOM 721 C GLY A 46 -20.722 -3.743 -10.588 1.00 0.00 C ATOM 722 O GLY A 46 -20.444 -2.814 -11.344 1.00 0.00 O ATOM 0 H GLY A 46 -21.863 -5.993 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.578 -5.464 -11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.680 -4.110 -11.397 1.00 0.00 H new ATOM 726 N ASP A 47 -20.032 -4.001 -9.477 1.00 0.00 N ATOM 727 CA ASP A 47 -18.886 -3.181 -9.090 1.00 0.00 C ATOM 728 C ASP A 47 -17.586 -3.852 -9.541 1.00 0.00 C ATOM 729 O ASP A 47 -17.547 -5.058 -9.790 1.00 0.00 O ATOM 730 CB ASP A 47 -18.889 -2.975 -7.551 1.00 0.00 C ATOM 731 CG ASP A 47 -19.341 -1.555 -7.192 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.237 -1.056 -7.853 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.783 -0.994 -6.265 1.00 0.00 O ATOM 0 H ASP A 47 -20.245 -4.764 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.957 -2.207 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.553 -3.702 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.890 -3.155 -7.154 1.00 0.00 H new ATOM 738 N PRO A 48 -16.526 -3.090 -9.647 1.00 0.00 N ATOM 739 CA PRO A 48 -15.195 -3.613 -10.073 1.00 0.00 C ATOM 740 C PRO A 48 -14.687 -4.695 -9.121 1.00 0.00 C ATOM 741 O PRO A 48 -15.335 -5.010 -8.123 1.00 0.00 O ATOM 742 CB PRO A 48 -14.281 -2.370 -10.050 1.00 0.00 C ATOM 743 CG PRO A 48 -14.990 -1.379 -9.181 1.00 0.00 C ATOM 744 CD PRO A 48 -16.478 -1.647 -9.379 1.00 0.00 C ATOM 0 HA PRO A 48 -15.230 -4.089 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.297 -2.612 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.128 -1.975 -11.054 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.706 -1.501 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.735 -0.358 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.056 -1.382 -8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.884 -1.069 -10.209 1.00 0.00 H new ATOM 752 N ILE A 49 -13.528 -5.261 -9.445 1.00 0.00 N ATOM 753 CA ILE A 49 -12.938 -6.312 -8.621 1.00 0.00 C ATOM 754 C ILE A 49 -11.921 -5.719 -7.660 1.00 0.00 C ATOM 755 O ILE A 49 -10.885 -5.196 -8.076 1.00 0.00 O ATOM 756 CB ILE A 49 -12.242 -7.349 -9.517 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.139 -7.634 -10.731 1.00 0.00 C ATOM 758 CG2 ILE A 49 -11.964 -8.652 -8.728 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.549 -8.014 -10.269 1.00 0.00 C ATOM 0 H ILE A 49 -12.981 -5.011 -10.269 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.732 -6.794 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.284 -6.955 -9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.184 -6.755 -11.374 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.713 -8.442 -11.325 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.471 -9.374 -9.379 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.319 -8.432 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.906 -9.069 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.175 -8.214 -11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.499 -8.906 -9.645 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.977 -7.193 -9.694 1.00 0.00 H new ATOM 771 N HIS A 50 -12.218 -5.821 -6.369 1.00 0.00 N ATOM 772 CA HIS A 50 -11.325 -5.309 -5.334 1.00 0.00 C ATOM 773 C HIS A 50 -10.491 -6.446 -4.763 1.00 0.00 C ATOM 774 O HIS A 50 -11.031 -7.432 -4.259 1.00 0.00 O ATOM 775 CB HIS A 50 -12.134 -4.663 -4.210 1.00 0.00 C ATOM 776 CG HIS A 50 -12.727 -3.370 -4.696 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.775 -2.238 -3.898 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.285 -3.006 -5.896 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.342 -1.257 -4.621 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.671 -1.670 -5.845 1.00 0.00 N ATOM 0 H HIS A 50 -13.071 -6.254 -6.013 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.669 -4.561 -5.779 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.925 -5.338 -3.883 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.494 -4.480 -3.347 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.441 -2.163 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.406 -3.657 -6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.511 -0.255 -4.255 1.00 0.00 H new ATOM 788 N ILE A 51 -9.171 -6.300 -4.845 1.00 0.00 N ATOM 789 CA ILE A 51 -8.252 -7.315 -4.333 1.00 0.00 C ATOM 790 C ILE A 51 -7.243 -6.695 -3.373 1.00 0.00 C ATOM 791 O ILE A 51 -6.842 -5.541 -3.539 1.00 0.00 O ATOM 792 CB ILE A 51 -7.512 -7.986 -5.498 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.803 -6.924 -6.346 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.513 -8.739 -6.373 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.859 -7.607 -7.337 1.00 0.00 C ATOM 0 H ILE A 51 -8.713 -5.489 -5.261 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.833 -8.063 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.775 -8.682 -5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.537 -6.323 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.243 -6.245 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.987 -9.215 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.017 -9.500 -5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.250 -8.039 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.355 -6.851 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.117 -8.189 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.431 -8.268 -7.988 1.00 0.00 H new ATOM 807 N GLU A 52 -6.819 -7.478 -2.379 1.00 0.00 N ATOM 808 CA GLU A 52 -5.838 -7.003 -1.406 1.00 0.00 C ATOM 809 C GLU A 52 -4.769 -8.064 -1.189 1.00 0.00 C ATOM 810 O GLU A 52 -5.036 -9.130 -0.637 1.00 0.00 O ATOM 811 CB GLU A 52 -6.523 -6.671 -0.077 1.00 0.00 C ATOM 812 CG GLU A 52 -7.387 -5.417 -0.246 1.00 0.00 C ATOM 813 CD GLU A 52 -8.110 -5.099 1.059 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.938 -5.847 2.007 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.824 -4.111 1.093 1.00 0.00 O ATOM 0 H GLU A 52 -7.137 -8.435 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.370 -6.098 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.140 -7.510 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.775 -6.508 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.763 -4.573 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.113 -5.571 -1.045 1.00 0.00 H new ATOM 822 N THR A 53 -3.556 -7.761 -1.634 1.00 0.00 N ATOM 823 CA THR A 53 -2.444 -8.690 -1.496 1.00 0.00 C ATOM 824 C THR A 53 -1.826 -8.549 -0.109 1.00 0.00 C ATOM 825 O THR A 53 -2.228 -7.676 0.665 1.00 0.00 O ATOM 826 CB THR A 53 -1.391 -8.413 -2.565 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.481 -7.443 -2.073 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.076 -7.884 -3.836 1.00 0.00 C ATOM 0 H THR A 53 -3.319 -6.881 -2.092 1.00 0.00 H new ATOM 0 HA THR A 53 -2.814 -9.707 -1.623 1.00 0.00 H new ATOM 0 HB THR A 53 -0.855 -9.331 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.258 -7.892 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.324 -7.686 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.781 -8.628 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.609 -6.962 -3.605 1.00 0.00 H new ATOM 836 N ARG A 54 -0.855 -9.411 0.193 1.00 0.00 N ATOM 837 CA ARG A 54 -0.202 -9.417 1.508 1.00 0.00 C ATOM 838 C ARG A 54 -0.106 -8.014 2.091 1.00 0.00 C ATOM 839 O ARG A 54 -0.559 -7.771 3.211 1.00 0.00 O ATOM 840 CB ARG A 54 1.216 -9.982 1.376 1.00 0.00 C ATOM 841 CG ARG A 54 1.157 -11.471 1.036 1.00 0.00 C ATOM 842 CD ARG A 54 2.578 -12.007 0.851 1.00 0.00 C ATOM 843 NE ARG A 54 2.542 -13.426 0.514 1.00 0.00 N ATOM 844 CZ ARG A 54 3.654 -14.092 0.220 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.806 -13.479 0.231 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.592 -15.361 -0.081 1.00 0.00 N ATOM 0 H ARG A 54 -0.501 -10.116 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.806 -10.035 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.759 -9.445 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.763 -9.835 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.651 -12.017 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.577 -11.625 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.084 -11.451 0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.153 -11.857 1.765 1.00 0.00 H new ATOM 0 HE ARG A 54 1.647 -13.916 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.854 -12.487 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.659 -13.991 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.691 -15.840 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.444 -15.874 -0.307 1.00 0.00 H new ATOM 860 N ARG A 55 0.453 -7.087 1.331 1.00 0.00 N ATOM 861 CA ARG A 55 0.569 -5.710 1.795 1.00 0.00 C ATOM 862 C ARG A 55 0.353 -4.743 0.641 1.00 0.00 C ATOM 863 O ARG A 55 0.942 -3.662 0.616 1.00 0.00 O ATOM 864 CB ARG A 55 1.946 -5.486 2.418 1.00 0.00 C ATOM 865 CG ARG A 55 3.025 -5.949 1.443 1.00 0.00 C ATOM 866 CD ARG A 55 4.399 -5.700 2.060 1.00 0.00 C ATOM 867 NE ARG A 55 4.639 -4.267 2.184 1.00 0.00 N ATOM 868 CZ ARG A 55 5.761 -3.804 2.721 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.671 -4.636 3.148 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.953 -2.517 2.822 1.00 0.00 N ATOM 0 H ARG A 55 0.831 -7.258 0.399 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.197 -5.527 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.083 -4.431 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.027 -6.036 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.900 -7.009 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.934 -5.411 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.457 -6.173 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.172 -6.154 1.441 1.00 0.00 H new ATOM 0 HE ARG A 55 3.933 -3.610 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.520 -5.642 3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.533 -4.281 3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.241 -1.867 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.815 -2.161 3.235 1.00 0.00 H new ATOM 884 N VAL A 56 -0.482 -5.134 -0.327 1.00 0.00 N ATOM 885 CA VAL A 56 -0.743 -4.260 -1.483 1.00 0.00 C ATOM 886 C VAL A 56 -2.224 -4.281 -1.843 1.00 0.00 C ATOM 887 O VAL A 56 -2.837 -5.346 -1.917 1.00 0.00 O ATOM 888 CB VAL A 56 0.101 -4.704 -2.691 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.265 -3.547 -3.683 1.00 0.00 C ATOM 890 CG2 VAL A 56 1.479 -5.166 -2.208 1.00 0.00 C ATOM 0 H VAL A 56 -0.979 -6.025 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.463 -3.241 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.407 -5.527 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.864 -3.877 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.716 -3.227 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.764 -2.713 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.078 -5.481 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.980 -4.344 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.362 -6.003 -1.520 1.00 0.00 H new ATOM 900 N SER A 57 -2.794 -3.100 -2.074 1.00 0.00 N ATOM 901 CA SER A 57 -4.207 -2.990 -2.434 1.00 0.00 C ATOM 902 C SER A 57 -4.347 -2.536 -3.880 1.00 0.00 C ATOM 903 O SER A 57 -3.637 -1.639 -4.331 1.00 0.00 O ATOM 904 CB SER A 57 -4.905 -1.992 -1.515 1.00 0.00 C ATOM 905 OG SER A 57 -4.777 -2.430 -0.170 1.00 0.00 O ATOM 0 H SER A 57 -2.302 -2.208 -2.019 1.00 0.00 H new ATOM 0 HA SER A 57 -4.672 -3.969 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.464 -1.002 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.958 -1.906 -1.784 1.00 0.00 H new ATOM 0 HG SER A 57 -5.222 -1.792 0.426 1.00 0.00 H new ATOM 911 N LEU A 58 -5.266 -3.165 -4.600 1.00 0.00 N ATOM 912 CA LEU A 58 -5.499 -2.817 -5.996 1.00 0.00 C ATOM 913 C LEU A 58 -6.908 -3.221 -6.412 1.00 0.00 C ATOM 914 O LEU A 58 -7.446 -4.220 -5.931 1.00 0.00 O ATOM 915 CB LEU A 58 -4.468 -3.523 -6.889 1.00 0.00 C ATOM 916 CG LEU A 58 -4.678 -3.130 -8.361 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.485 -1.616 -8.555 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.675 -3.898 -9.230 1.00 0.00 C ATOM 0 H LEU A 58 -5.859 -3.914 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.394 -1.738 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.460 -3.254 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.559 -4.603 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.697 -3.383 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.638 -1.361 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.206 -1.076 -7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.474 -1.337 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.816 -3.626 -10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.660 -3.646 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.835 -4.969 -9.109 1.00 0.00 H new ATOM 930 N VAL A 59 -7.498 -2.442 -7.316 1.00 0.00 N ATOM 931 CA VAL A 59 -8.847 -2.723 -7.812 1.00 0.00 C ATOM 932 C VAL A 59 -8.842 -2.754 -9.336 1.00 0.00 C ATOM 933 O VAL A 59 -8.403 -1.803 -9.983 1.00 0.00 O ATOM 934 CB VAL A 59 -9.826 -1.647 -7.328 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.319 -0.260 -7.732 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.202 -1.891 -7.952 1.00 0.00 C ATOM 0 H VAL A 59 -7.065 -1.612 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.164 -3.693 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.904 -1.696 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.020 0.499 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.342 -0.085 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.234 -0.206 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.898 -1.126 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.122 -1.847 -9.038 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.567 -2.874 -7.655 1.00 0.00 H new ATOM 946 N LEU A 60 -9.339 -3.851 -9.906 1.00 0.00 N ATOM 947 CA LEU A 60 -9.391 -4.008 -11.360 1.00 0.00 C ATOM 948 C LEU A 60 -10.773 -4.488 -11.791 1.00 0.00 C ATOM 949 O LEU A 60 -11.580 -4.905 -10.962 1.00 0.00 O ATOM 950 CB LEU A 60 -8.347 -5.032 -11.804 1.00 0.00 C ATOM 951 CG LEU A 60 -6.956 -4.605 -11.318 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.958 -5.747 -11.543 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.483 -3.360 -12.086 1.00 0.00 C ATOM 0 H LEU A 60 -9.711 -4.644 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.185 -3.043 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.596 -6.015 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.351 -5.120 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.013 -4.370 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.971 -5.441 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.281 -6.627 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.912 -5.986 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.495 -3.067 -11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.434 -3.586 -13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.184 -2.542 -11.921 1.00 0.00 H new ATOM 965 N ARG A 61 -11.035 -4.430 -13.091 1.00 0.00 N ATOM 966 CA ARG A 61 -12.317 -4.871 -13.630 1.00 0.00 C ATOM 967 C ARG A 61 -12.298 -6.373 -13.893 1.00 0.00 C ATOM 968 O ARG A 61 -11.238 -6.999 -13.896 1.00 0.00 O ATOM 969 CB ARG A 61 -12.627 -4.129 -14.923 1.00 0.00 C ATOM 970 CG ARG A 61 -12.943 -2.671 -14.599 1.00 0.00 C ATOM 971 CD ARG A 61 -13.388 -1.956 -15.866 1.00 0.00 C ATOM 972 NE ARG A 61 -12.260 -1.768 -16.773 1.00 0.00 N ATOM 973 CZ ARG A 61 -12.431 -1.240 -17.981 1.00 0.00 C ATOM 974 NH1 ARG A 61 -13.623 -0.883 -18.378 1.00 0.00 N ATOM 975 NH2 ARG A 61 -11.405 -1.077 -18.772 1.00 0.00 N ATOM 0 H ARG A 61 -10.379 -4.083 -13.791 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.092 -4.651 -12.895 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.777 -4.187 -15.603 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.473 -4.594 -15.430 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.727 -2.617 -13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.063 -2.181 -14.182 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.168 -2.534 -16.362 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.822 -0.989 -15.611 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.325 -2.046 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.425 -1.009 -17.761 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.752 -0.478 -19.305 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.473 -1.355 -18.463 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.535 -0.672 -19.699 1.00 0.00 H new ATOM 989 N LYS A 62 -13.476 -6.947 -14.115 1.00 0.00 N ATOM 990 CA LYS A 62 -13.583 -8.377 -14.379 1.00 0.00 C ATOM 991 C LYS A 62 -12.800 -8.750 -15.635 1.00 0.00 C ATOM 992 O LYS A 62 -12.199 -9.827 -15.714 1.00 0.00 O ATOM 993 CB LYS A 62 -15.058 -8.758 -14.546 1.00 0.00 C ATOM 994 CG LYS A 62 -15.668 -7.969 -15.712 1.00 0.00 C ATOM 995 CD LYS A 62 -17.154 -8.323 -15.868 1.00 0.00 C ATOM 996 CE LYS A 62 -17.993 -7.618 -14.792 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.435 -7.703 -15.162 1.00 0.00 N ATOM 0 H LYS A 62 -14.365 -6.447 -14.117 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.161 -8.924 -13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.148 -9.828 -14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.604 -8.547 -13.627 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.558 -6.899 -15.535 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.133 -8.196 -16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.501 -8.029 -16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.286 -9.402 -15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.826 -8.084 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.689 -6.575 -14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.008 -7.227 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.585 -7.240 -16.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.718 -8.702 -15.227 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.808 -7.854 -16.612 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.099 -8.094 -17.859 1.00 0.00 C ATOM 1013 C LYS A 63 -10.604 -8.234 -17.598 1.00 0.00 C ATOM 1014 O LYS A 63 -9.942 -9.093 -18.178 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.351 -6.940 -18.834 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.810 -6.950 -19.282 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.051 -5.774 -20.227 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.502 -5.795 -20.693 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.749 -4.652 -21.619 1.00 0.00 N ATOM 0 H LYS A 63 -13.295 -6.959 -16.565 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.468 -9.021 -18.299 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.115 -5.990 -18.356 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.695 -7.033 -19.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.043 -7.889 -19.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.469 -6.879 -18.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.833 -4.834 -19.720 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.380 -5.837 -21.084 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.719 -6.737 -21.197 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.171 -5.731 -19.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.740 -4.669 -21.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.559 -3.757 -21.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.121 -4.732 -22.444 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.077 -7.392 -16.721 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.660 -7.438 -16.397 1.00 0.00 C ATOM 1035 C ASP A 64 -8.274 -8.820 -15.880 1.00 0.00 C ATOM 1036 O ASP A 64 -7.282 -9.398 -16.318 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.344 -6.399 -15.331 1.00 0.00 C ATOM 1038 CG ASP A 64 -6.835 -6.260 -15.163 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -6.134 -7.214 -15.459 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -6.402 -5.199 -14.746 1.00 0.00 O ATOM 0 H ASP A 64 -10.605 -6.674 -16.225 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.091 -7.226 -17.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.776 -5.438 -15.610 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.798 -6.690 -14.383 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.071 -9.347 -14.953 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.799 -10.666 -14.391 1.00 0.00 C ATOM 1047 C LEU A 65 -8.855 -11.724 -15.487 1.00 0.00 C ATOM 1048 O LEU A 65 -8.031 -12.639 -15.521 1.00 0.00 O ATOM 1049 CB LEU A 65 -9.829 -10.993 -13.287 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.354 -10.442 -11.934 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.289 -8.916 -11.994 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.311 -10.881 -10.823 1.00 0.00 C ATOM 0 H LEU A 65 -9.901 -8.887 -14.579 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.800 -10.664 -13.954 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.796 -10.561 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.969 -12.072 -13.219 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.361 -10.835 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.952 -8.528 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.590 -8.612 -12.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.279 -8.518 -12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.966 -10.485 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.311 -10.501 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.339 -11.970 -10.776 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.827 -11.601 -16.379 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.960 -12.564 -17.460 1.00 0.00 C ATOM 1066 C ALA A 66 -8.674 -12.632 -18.280 1.00 0.00 C ATOM 1067 O ALA A 66 -8.122 -13.711 -18.496 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.127 -12.169 -18.364 1.00 0.00 C ATOM 0 H ALA A 66 -10.524 -10.857 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.151 -13.546 -17.028 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.222 -12.894 -19.173 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.048 -12.151 -17.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.944 -11.180 -18.783 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.197 -11.474 -18.726 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.967 -11.417 -19.513 1.00 0.00 C ATOM 1076 C LEU A 67 -5.754 -11.769 -18.659 1.00 0.00 C ATOM 1077 O LEU A 67 -4.859 -12.491 -19.101 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.791 -10.008 -20.109 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.560 -9.895 -21.428 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.041 -10.192 -21.193 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.401 -8.479 -21.985 1.00 0.00 C ATOM 0 H LEU A 67 -8.638 -10.569 -18.559 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.044 -12.147 -20.319 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.151 -9.259 -19.404 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.733 -9.805 -20.277 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.162 -10.616 -22.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.583 -10.110 -22.135 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.151 -11.202 -20.798 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.447 -9.476 -20.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.947 -8.394 -22.924 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.797 -7.760 -21.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.345 -8.273 -22.159 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.719 -11.250 -17.442 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.592 -11.506 -16.559 1.00 0.00 C ATOM 1095 C LEU A 68 -4.398 -13.003 -16.372 1.00 0.00 C ATOM 1096 O LEU A 68 -5.352 -13.737 -16.113 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.832 -10.838 -15.200 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.513 -10.742 -14.406 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.751 -9.465 -14.797 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.814 -10.705 -12.901 1.00 0.00 C ATOM 0 H LEU A 68 -6.448 -10.656 -17.047 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.691 -11.089 -17.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.249 -9.842 -15.346 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.565 -11.410 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.902 -11.614 -14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.822 -9.408 -14.230 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.525 -9.488 -15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.365 -8.592 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.879 -10.637 -12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.434 -9.838 -12.675 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.342 -11.614 -12.613 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.156 -13.453 -16.515 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.857 -14.874 -16.368 1.00 0.00 C ATOM 1114 C GLU A 69 -2.788 -15.248 -14.892 1.00 0.00 C ATOM 1115 O GLU A 69 -1.859 -14.856 -14.184 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.526 -15.203 -17.041 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.582 -14.803 -18.517 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.538 -15.717 -19.275 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -2.962 -16.707 -18.702 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -2.822 -15.420 -20.424 1.00 0.00 O ATOM 0 H GLU A 69 -2.350 -12.865 -16.729 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.652 -15.447 -16.845 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.714 -14.674 -16.541 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.315 -16.269 -16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.909 -13.767 -18.608 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.586 -14.863 -18.955 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.780 -16.013 -14.434 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.833 -16.448 -13.036 1.00 0.00 C ATOM 1129 C VAL A 70 -4.152 -17.934 -12.954 1.00 0.00 C ATOM 1130 O VAL A 70 -4.690 -18.519 -13.895 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.902 -15.659 -12.279 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.480 -14.192 -12.174 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.228 -15.752 -13.036 1.00 0.00 C ATOM 0 H VAL A 70 -4.556 -16.344 -15.008 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.858 -16.265 -12.583 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.019 -16.074 -11.278 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.243 -13.632 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.533 -14.123 -11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.363 -13.775 -13.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.993 -15.191 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.106 -15.335 -14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.531 -16.796 -13.113 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.811 -18.538 -11.819 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.059 -19.964 -11.608 1.00 0.00 C ATOM 1145 C GLU A 71 -4.464 -20.230 -10.163 1.00 0.00 C ATOM 1146 O GLU A 71 -3.830 -19.743 -9.227 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.799 -20.769 -11.944 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.550 -20.730 -13.456 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.264 -21.477 -13.797 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.635 -21.982 -12.881 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -0.927 -21.533 -14.968 1.00 0.00 O ATOM 0 H GLU A 71 -3.364 -18.066 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.873 -20.273 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.940 -20.357 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.915 -21.800 -11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.391 -21.181 -13.982 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.479 -19.696 -13.794 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.523 -21.014 -9.991 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.003 -21.350 -8.659 1.00 0.00 C ATOM 1160 C ALA A 72 -4.996 -22.246 -7.948 1.00 0.00 C ATOM 1161 O ALA A 72 -4.338 -23.075 -8.577 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.352 -22.069 -8.752 1.00 0.00 C ATOM 0 H ALA A 72 -6.061 -21.426 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.125 -20.428 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.702 -22.316 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.078 -21.419 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.237 -22.985 -9.332 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.879 -22.076 -6.632 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.946 -22.875 -5.839 1.00 0.00 C ATOM 1170 C VAL A 73 -4.709 -23.849 -4.955 1.00 0.00 C ATOM 1171 O VAL A 73 -5.630 -23.458 -4.237 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.102 -21.960 -4.956 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.128 -22.800 -4.128 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.318 -20.991 -5.839 1.00 0.00 C ATOM 0 H VAL A 73 -5.416 -21.395 -6.094 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.300 -23.431 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.753 -21.399 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.526 -22.144 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.688 -23.493 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.474 -23.362 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.714 -20.335 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.668 -21.554 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.013 -20.391 -6.427 1.00 0.00 H new ATOM 1184 N SER A 74 -4.319 -25.120 -5.009 1.00 0.00 N ATOM 1185 CA SER A 74 -4.972 -26.153 -4.205 1.00 0.00 C ATOM 1186 C SER A 74 -4.096 -26.550 -3.024 1.00 0.00 C ATOM 1187 O SER A 74 -4.482 -27.385 -2.205 1.00 0.00 O ATOM 1188 CB SER A 74 -5.249 -27.383 -5.070 1.00 0.00 C ATOM 1189 OG SER A 74 -4.013 -27.974 -5.455 1.00 0.00 O ATOM 0 H SER A 74 -3.558 -25.460 -5.597 1.00 0.00 H new ATOM 0 HA SER A 74 -5.911 -25.752 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.853 -28.102 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.821 -27.099 -5.954 1.00 0.00 H new ATOM 0 HG SER A 74 -4.186 -28.764 -6.008 1.00 0.00 H new ATOM 1195 N SER A 75 -2.911 -25.948 -2.938 1.00 0.00 N ATOM 1196 CA SER A 75 -1.981 -26.246 -1.849 1.00 0.00 C ATOM 1197 C SER A 75 -1.268 -24.978 -1.400 1.00 0.00 C ATOM 1198 O SER A 75 -0.813 -24.184 -2.223 1.00 0.00 O ATOM 1199 CB SER A 75 -0.954 -27.276 -2.312 1.00 0.00 C ATOM 1200 OG SER A 75 -0.086 -27.590 -1.231 1.00 0.00 O ATOM 0 H SER A 75 -2.573 -25.255 -3.605 1.00 0.00 H new ATOM 0 HA SER A 75 -2.545 -26.650 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.458 -28.177 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.381 -26.883 -3.152 1.00 0.00 H new ATOM 0 HG SER A 75 0.751 -27.961 -1.581 1.00 0.00 H new ATOM 1206 N LEU A 76 -1.170 -24.796 -0.090 1.00 0.00 N ATOM 1207 CA LEU A 76 -0.508 -23.616 0.455 1.00 0.00 C ATOM 1208 C LEU A 76 0.962 -23.597 0.056 1.00 0.00 C ATOM 1209 O LEU A 76 1.499 -22.553 -0.318 1.00 0.00 O ATOM 1210 CB LEU A 76 -0.629 -23.601 1.985 1.00 0.00 C ATOM 1211 CG LEU A 76 0.092 -22.373 2.567 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -0.485 -21.079 1.971 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -0.081 -22.366 4.093 1.00 0.00 C ATOM 0 H LEU A 76 -1.536 -25.442 0.609 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.995 -22.730 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.680 -23.584 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.200 -24.513 2.399 1.00 0.00 H new ATOM 0 HG LEU A 76 1.151 -22.426 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.036 -20.220 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.354 -21.087 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.547 -21.011 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.428 -21.498 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.142 -22.319 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.348 -23.276 4.512 1.00 0.00 H new ATOM 1225 N GLU A 77 1.610 -24.752 0.148 1.00 0.00 N ATOM 1226 CA GLU A 77 3.023 -24.851 -0.198 1.00 0.00 C ATOM 1227 C GLU A 77 3.812 -23.725 0.462 1.00 0.00 C ATOM 1228 O GLU A 77 3.279 -22.980 1.283 1.00 0.00 O ATOM 1229 CB GLU A 77 3.197 -24.779 -1.716 1.00 0.00 C ATOM 1230 CG GLU A 77 2.534 -25.994 -2.365 1.00 0.00 C ATOM 1231 CD GLU A 77 3.269 -27.271 -1.968 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.422 -27.170 -1.580 1.00 0.00 O ATOM 1233 OE2 GLU A 77 2.670 -28.329 -2.057 1.00 0.00 O ATOM 0 H GLU A 77 1.184 -25.626 0.456 1.00 0.00 H new ATOM 0 HA GLU A 77 3.402 -25.807 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.753 -23.861 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.257 -24.751 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.490 -26.056 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.540 -25.885 -3.449 1.00 0.00 H new ATOM 1240 N HIS A 78 5.086 -23.611 0.096 1.00 0.00 N ATOM 1241 CA HIS A 78 5.946 -22.572 0.658 1.00 0.00 C ATOM 1242 C HIS A 78 7.062 -22.216 -0.319 1.00 0.00 C ATOM 1243 O HIS A 78 7.239 -21.052 -0.677 1.00 0.00 O ATOM 1244 CB HIS A 78 6.552 -23.056 1.976 1.00 0.00 C ATOM 1245 CG HIS A 78 7.276 -21.919 2.641 1.00 0.00 C ATOM 1246 ND1 HIS A 78 6.608 -20.819 3.156 1.00 0.00 N ATOM 1247 CD2 HIS A 78 8.608 -21.695 2.883 1.00 0.00 C ATOM 1248 CE1 HIS A 78 7.530 -19.991 3.678 1.00 0.00 C ATOM 1249 NE2 HIS A 78 8.766 -20.477 3.539 1.00 0.00 N ATOM 0 H HIS A 78 5.544 -24.220 -0.582 1.00 0.00 H new ATOM 0 HA HIS A 78 5.342 -21.683 0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.768 -23.435 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.240 -23.881 1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.411 -22.362 2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.299 -19.048 4.152 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.639 -20.048 3.847 1.00 0.00 H new ATOM 1257 N HIS A 79 7.814 -23.227 -0.746 1.00 0.00 N ATOM 1258 CA HIS A 79 8.914 -23.010 -1.682 1.00 0.00 C ATOM 1259 C HIS A 79 8.393 -22.956 -3.115 1.00 0.00 C ATOM 1260 O HIS A 79 7.553 -23.764 -3.512 1.00 0.00 O ATOM 1261 CB HIS A 79 9.941 -24.137 -1.553 1.00 0.00 C ATOM 1262 CG HIS A 79 10.598 -24.063 -0.202 1.00 0.00 C ATOM 1263 ND1 HIS A 79 10.157 -24.815 0.877 1.00 0.00 N ATOM 1264 CD2 HIS A 79 11.662 -23.331 0.262 1.00 0.00 C ATOM 1265 CE1 HIS A 79 10.947 -24.520 1.926 1.00 0.00 C ATOM 1266 NE2 HIS A 79 11.881 -23.621 1.605 1.00 0.00 N ATOM 0 H HIS A 79 7.684 -24.198 -0.462 1.00 0.00 H new ATOM 0 HA HIS A 79 9.388 -22.058 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.454 -25.104 -1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.691 -24.052 -2.339 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.242 -22.635 -0.326 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.839 -24.957 2.908 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.600 -23.231 2.214 1.00 0.00 H new ATOM 1274 N HIS A 80 8.898 -21.999 -3.886 1.00 0.00 N ATOM 1275 CA HIS A 80 8.480 -21.848 -5.275 1.00 0.00 C ATOM 1276 C HIS A 80 9.182 -22.875 -6.158 1.00 0.00 C ATOM 1277 O HIS A 80 10.365 -23.161 -5.972 1.00 0.00 O ATOM 1278 CB HIS A 80 8.807 -20.438 -5.769 1.00 0.00 C ATOM 1279 CG HIS A 80 10.294 -20.224 -5.724 1.00 0.00 C ATOM 1280 ND1 HIS A 80 10.978 -20.041 -4.532 1.00 0.00 N ATOM 1281 CD2 HIS A 80 11.243 -20.161 -6.714 1.00 0.00 C ATOM 1282 CE1 HIS A 80 12.280 -19.877 -4.833 1.00 0.00 C ATOM 1283 NE2 HIS A 80 12.496 -19.941 -6.149 1.00 0.00 N ATOM 0 H HIS A 80 9.593 -21.320 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 80 7.404 -22.011 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.440 -20.303 -6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.303 -19.697 -5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.047 -20.266 -7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.055 -19.714 -4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.388 -19.849 -6.636 1.00 0.00 H new ATOM 1291 N HIS A 81 8.445 -23.426 -7.120 1.00 0.00 N ATOM 1292 CA HIS A 81 9.003 -24.421 -8.033 1.00 0.00 C ATOM 1293 C HIS A 81 8.346 -24.318 -9.406 1.00 0.00 C ATOM 1294 O HIS A 81 7.227 -23.820 -9.533 1.00 0.00 O ATOM 1295 CB HIS A 81 8.790 -25.826 -7.465 1.00 0.00 C ATOM 1296 CG HIS A 81 9.536 -25.957 -6.165 1.00 0.00 C ATOM 1297 ND1 HIS A 81 10.919 -25.932 -6.101 1.00 0.00 N ATOM 1298 CD2 HIS A 81 9.103 -26.117 -4.871 1.00 0.00 C ATOM 1299 CE1 HIS A 81 11.269 -26.074 -4.810 1.00 0.00 C ATOM 1300 NE2 HIS A 81 10.201 -26.189 -4.018 1.00 0.00 N ATOM 0 H HIS A 81 7.464 -23.202 -7.287 1.00 0.00 H new ATOM 0 HA HIS A 81 10.071 -24.231 -8.141 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.727 -26.009 -7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.141 -26.575 -8.175 1.00 0.00 H new ATOM 0 HD1 HIS A 81 11.557 -25.825 -6.890 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.070 -26.178 -4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.290 -26.093 -4.457 1.00 0.00 H new ATOM 1308 N HIS A 82 9.049 -24.794 -10.428 1.00 0.00 N ATOM 1309 CA HIS A 82 8.526 -24.750 -11.788 1.00 0.00 C ATOM 1310 C HIS A 82 7.457 -25.822 -11.983 1.00 0.00 C ATOM 1311 O HIS A 82 7.598 -26.947 -11.504 1.00 0.00 O ATOM 1312 CB HIS A 82 9.660 -24.970 -12.790 1.00 0.00 C ATOM 1313 CG HIS A 82 10.678 -23.872 -12.643 1.00 0.00 C ATOM 1314 ND1 HIS A 82 10.444 -22.582 -13.092 1.00 0.00 N ATOM 1315 CD2 HIS A 82 11.939 -23.857 -12.100 1.00 0.00 C ATOM 1316 CE1 HIS A 82 11.539 -21.851 -12.814 1.00 0.00 C ATOM 1317 NE2 HIS A 82 12.481 -22.580 -12.209 1.00 0.00 N ATOM 0 H HIS A 82 9.976 -25.212 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 82 8.079 -23.770 -11.956 1.00 0.00 H new ATOM 0 HB2 HIS A 82 10.128 -25.940 -12.619 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.265 -24.981 -13.806 1.00 0.00 H new ATOM 0 HD2 HIS A 82 12.435 -24.707 -11.656 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.644 -20.803 -13.051 1.00 0.00 H new ATOM 0 HE2 HIS A 82 13.400 -22.268 -11.895 1.00 0.00 H new ATOM 1325 N HIS A 83 6.390 -25.463 -12.688 1.00 0.00 N ATOM 1326 CA HIS A 83 5.303 -26.403 -12.941 1.00 0.00 C ATOM 1327 C HIS A 83 4.323 -25.825 -13.958 1.00 0.00 C ATOM 1328 O HIS A 83 3.452 -25.074 -13.552 1.00 0.00 O ATOM 1329 CB HIS A 83 4.566 -26.711 -11.636 1.00 0.00 C ATOM 1330 CG HIS A 83 3.415 -27.638 -11.916 1.00 0.00 C ATOM 1331 ND1 HIS A 83 3.599 -28.980 -12.207 1.00 0.00 N ATOM 1332 CD2 HIS A 83 2.058 -27.430 -11.955 1.00 0.00 C ATOM 1333 CE1 HIS A 83 2.385 -29.523 -12.406 1.00 0.00 C ATOM 1334 NE2 HIS A 83 1.410 -28.622 -12.264 1.00 0.00 N ATOM 1335 OXT HIS A 83 4.458 -26.145 -15.128 1.00 0.00 O ATOM 0 H HIS A 83 6.254 -24.536 -13.092 1.00 0.00 H new ATOM 0 HA HIS A 83 5.727 -27.323 -13.344 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.249 -27.168 -10.920 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.202 -25.788 -11.185 1.00 0.00 H new ATOM 0 HD2 HIS A 83 1.568 -26.485 -11.773 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.219 -30.562 -12.651 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.406 -28.775 -12.361 1.00 0.00 H new TER 1343 HIS A 83