USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=21 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 82 HIS :FLIP no HD1:sc= -1.2! C(o=-6.6!,f=-2.1!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= -0.866! C(o=-2.1!,f=-11!) USER MOD Set 2.1: A 31 MET CE :methyl 177:sc= -0.0336 (180deg=-0.00774) USER MOD Set 2.2: A 35 SER OG : rot -140:sc=-0.00723 USER MOD Set 2.3: A 79 HIS : no HD1:sc= -0.0517 K(o=-0.093,f=-1.3) USER MOD Set 3.1: A 78 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-1.3) USER MOD Set 3.2: A 80 HIS : no HD1:sc= 0 X(o=-0.48,f=-0.48) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00499) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.458 (180deg=-1.1) USER MOD Single : A 2 GLN : amide:sc= 0.106 K(o=0.11,f=-0.49) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.566 USER MOD Single : A 7 THR OG1 : rot -103:sc= 0.523 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.147 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 73:sc= 1.18 USER MOD Single : A 36 SER OG : rot 130:sc= -2.05 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.442! C(o=-2.8!,f=-0.44!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -2.61 F(o=-4!,f=-2.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.792 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 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.0497 X(o=-0.05,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.891 -17.006 -10.776 1.00 0.00 N ATOM 2 CA MET A 1 -20.149 -17.483 -9.574 1.00 0.00 C ATOM 3 C MET A 1 -18.651 -17.474 -9.871 1.00 0.00 C ATOM 4 O MET A 1 -17.859 -18.052 -9.127 1.00 0.00 O ATOM 5 CB MET A 1 -20.607 -18.906 -9.226 1.00 0.00 C ATOM 6 CG MET A 1 -20.849 -19.693 -10.517 1.00 0.00 C ATOM 7 SD MET A 1 -21.216 -21.421 -10.116 1.00 0.00 S ATOM 8 CE MET A 1 -19.505 -22.009 -10.024 1.00 0.00 C ATOM 0 H1 MET A 1 -21.899 -17.245 -10.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.787 -15.975 -10.862 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.506 -17.465 -11.626 1.00 0.00 H new ATOM 0 HA MET A 1 -20.351 -16.826 -8.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.851 -19.405 -8.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.520 -18.871 -8.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.678 -19.254 -11.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.970 -19.637 -11.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.499 -23.083 -9.836 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.998 -21.803 -10.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.987 -21.496 -9.214 1.00 0.00 H new ATOM 20 N GLN A 2 -18.270 -16.820 -10.964 1.00 0.00 N ATOM 21 CA GLN A 2 -16.864 -16.753 -11.346 1.00 0.00 C ATOM 22 C GLN A 2 -16.051 -16.022 -10.286 1.00 0.00 C ATOM 23 O GLN A 2 -14.961 -16.458 -9.913 1.00 0.00 O ATOM 24 CB GLN A 2 -16.726 -16.041 -12.700 1.00 0.00 C ATOM 25 CG GLN A 2 -15.245 -15.834 -13.043 1.00 0.00 C ATOM 26 CD GLN A 2 -14.503 -17.165 -13.006 1.00 0.00 C ATOM 27 OE1 GLN A 2 -15.012 -18.177 -13.487 1.00 0.00 O ATOM 28 NE2 GLN A 2 -13.325 -17.223 -12.447 1.00 0.00 N ATOM 0 H GLN A 2 -18.907 -16.334 -11.595 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.479 -17.769 -11.433 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -17.208 -16.631 -13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.237 -15.079 -12.666 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.153 -15.386 -14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.794 -15.139 -12.335 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.907 -16.382 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.822 -18.110 -12.408 1.00 0.00 H new ATOM 37 N TYR A 3 -16.586 -14.906 -9.804 1.00 0.00 N ATOM 38 CA TYR A 3 -15.909 -14.106 -8.782 1.00 0.00 C ATOM 39 C TYR A 3 -16.603 -14.285 -7.444 1.00 0.00 C ATOM 40 O TYR A 3 -17.831 -14.287 -7.376 1.00 0.00 O ATOM 41 CB TYR A 3 -15.954 -12.629 -9.178 1.00 0.00 C ATOM 42 CG TYR A 3 -15.469 -12.484 -10.597 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.366 -12.659 -11.657 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.128 -12.180 -10.857 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.923 -12.529 -12.976 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.686 -12.050 -12.177 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.584 -12.224 -13.237 1.00 0.00 C ATOM 48 OH TYR A 3 -14.147 -12.096 -14.539 1.00 0.00 O ATOM 0 H TYR A 3 -17.487 -14.532 -10.103 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.873 -14.435 -8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.970 -12.246 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.330 -12.040 -8.505 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.401 -12.895 -11.456 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.435 -12.046 -10.039 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.615 -12.664 -13.794 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.651 -11.815 -12.379 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.191 -11.881 -14.544 1.00 0.00 H new ATOM 58 N THR A 4 -15.816 -14.432 -6.374 1.00 0.00 N ATOM 59 CA THR A 4 -16.383 -14.610 -5.034 1.00 0.00 C ATOM 60 C THR A 4 -15.731 -13.636 -4.047 1.00 0.00 C ATOM 61 O THR A 4 -14.581 -13.241 -4.238 1.00 0.00 O ATOM 62 CB THR A 4 -16.157 -16.047 -4.548 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.898 -16.131 -3.899 1.00 0.00 O ATOM 64 CG2 THR A 4 -16.188 -16.999 -5.740 1.00 0.00 C ATOM 0 H THR A 4 -14.797 -14.431 -6.408 1.00 0.00 H new ATOM 0 HA THR A 4 -17.453 -14.409 -5.086 1.00 0.00 H new ATOM 0 HB THR A 4 -16.944 -16.325 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.819 -16.998 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.027 -18.020 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.157 -16.931 -6.234 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.402 -16.726 -6.444 1.00 0.00 H new ATOM 72 N PRO A 5 -16.421 -13.245 -2.996 1.00 0.00 N ATOM 73 CA PRO A 5 -15.855 -12.306 -1.984 1.00 0.00 C ATOM 74 C PRO A 5 -14.480 -12.742 -1.484 1.00 0.00 C ATOM 75 O PRO A 5 -13.587 -11.915 -1.307 1.00 0.00 O ATOM 76 CB PRO A 5 -16.878 -12.332 -0.835 1.00 0.00 C ATOM 77 CG PRO A 5 -18.168 -12.762 -1.456 1.00 0.00 C ATOM 78 CD PRO A 5 -17.806 -13.638 -2.662 1.00 0.00 C ATOM 0 HA PRO A 5 -15.702 -11.313 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.570 -13.024 -0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.974 -11.349 -0.373 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.775 -13.318 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.755 -11.898 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.871 -14.698 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.482 -13.462 -3.499 1.00 0.00 H new ATOM 86 N ASP A 6 -14.316 -14.043 -1.246 1.00 0.00 N ATOM 87 CA ASP A 6 -13.042 -14.568 -0.751 1.00 0.00 C ATOM 88 C ASP A 6 -12.631 -15.817 -1.518 1.00 0.00 C ATOM 89 O ASP A 6 -13.119 -16.915 -1.250 1.00 0.00 O ATOM 90 CB ASP A 6 -13.162 -14.902 0.737 1.00 0.00 C ATOM 91 CG ASP A 6 -11.816 -15.375 1.278 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.919 -15.586 0.479 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.700 -15.508 2.486 1.00 0.00 O ATOM 0 H ASP A 6 -15.041 -14.747 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.279 -13.803 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.496 -14.024 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.915 -15.677 0.884 1.00 0.00 H new ATOM 98 N THR A 7 -11.715 -15.642 -2.466 1.00 0.00 N ATOM 99 CA THR A 7 -11.215 -16.762 -3.271 1.00 0.00 C ATOM 100 C THR A 7 -9.705 -16.661 -3.436 1.00 0.00 C ATOM 101 O THR A 7 -9.154 -15.567 -3.553 1.00 0.00 O ATOM 102 CB THR A 7 -11.877 -16.765 -4.651 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.162 -17.631 -5.517 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.882 -15.347 -5.221 1.00 0.00 C ATOM 0 H THR A 7 -11.302 -14.739 -2.699 1.00 0.00 H new ATOM 0 HA THR A 7 -11.460 -17.690 -2.754 1.00 0.00 H new ATOM 0 HB THR A 7 -12.905 -17.116 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.603 -17.100 -6.122 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.354 -15.352 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.439 -14.689 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.857 -14.988 -5.312 1.00 0.00 H new ATOM 112 N ALA A 8 -9.040 -17.814 -3.453 1.00 0.00 N ATOM 113 CA ALA A 8 -7.585 -17.847 -3.613 1.00 0.00 C ATOM 114 C ALA A 8 -7.234 -18.037 -5.079 1.00 0.00 C ATOM 115 O ALA A 8 -7.336 -19.140 -5.616 1.00 0.00 O ATOM 116 CB ALA A 8 -6.995 -18.998 -2.797 1.00 0.00 C ATOM 0 H ALA A 8 -9.478 -18.730 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.169 -16.904 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.912 -19.015 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.237 -18.858 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.415 -19.942 -3.143 1.00 0.00 H new ATOM 122 N TRP A 9 -6.838 -16.944 -5.732 1.00 0.00 N ATOM 123 CA TRP A 9 -6.491 -16.985 -7.155 1.00 0.00 C ATOM 124 C TRP A 9 -4.981 -17.026 -7.330 1.00 0.00 C ATOM 125 O TRP A 9 -4.243 -16.380 -6.588 1.00 0.00 O ATOM 126 CB TRP A 9 -7.053 -15.745 -7.869 1.00 0.00 C ATOM 127 CG TRP A 9 -8.520 -15.916 -8.133 1.00 0.00 C ATOM 128 CD1 TRP A 9 -9.376 -16.622 -7.362 1.00 0.00 C ATOM 129 CD2 TRP A 9 -9.313 -15.385 -9.233 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.639 -16.556 -7.913 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.653 -15.805 -9.067 1.00 0.00 C ATOM 132 CE3 TRP A 9 -9.005 -14.586 -10.347 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.650 -15.449 -9.967 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -10.006 -14.223 -11.259 1.00 0.00 C ATOM 135 CH2 TRP A 9 -11.328 -14.652 -11.072 1.00 0.00 C ATOM 0 H TRP A 9 -6.749 -16.023 -5.302 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.926 -17.884 -7.591 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.888 -14.858 -7.257 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.524 -15.587 -8.809 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.113 -17.153 -6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.462 -17.008 -7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.991 -14.249 -10.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.665 -15.784 -9.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.757 -13.609 -12.112 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.095 -14.369 -11.778 1.00 0.00 H new ATOM 146 N LYS A 10 -4.528 -17.786 -8.323 1.00 0.00 N ATOM 147 CA LYS A 10 -3.100 -17.905 -8.603 1.00 0.00 C ATOM 148 C LYS A 10 -2.719 -16.955 -9.727 1.00 0.00 C ATOM 149 O LYS A 10 -3.458 -16.812 -10.695 1.00 0.00 O ATOM 150 CB LYS A 10 -2.757 -19.350 -9.010 1.00 0.00 C ATOM 151 CG LYS A 10 -1.285 -19.646 -8.698 1.00 0.00 C ATOM 152 CD LYS A 10 -0.992 -21.120 -8.968 1.00 0.00 C ATOM 153 CE LYS A 10 0.470 -21.410 -8.626 1.00 0.00 C ATOM 154 NZ LYS A 10 0.764 -22.850 -8.869 1.00 0.00 N ATOM 0 H LYS A 10 -5.127 -18.328 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.541 -17.648 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.399 -20.050 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.948 -19.492 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.639 -19.018 -9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.068 -19.406 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.650 -21.750 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.188 -21.357 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.127 -20.787 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.667 -21.159 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.759 -23.045 -8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.147 -23.436 -8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.592 -23.075 -9.870 1.00 0.00 H new ATOM 168 N ILE A 11 -1.563 -16.311 -9.596 1.00 0.00 N ATOM 169 CA ILE A 11 -1.093 -15.374 -10.615 1.00 0.00 C ATOM 170 C ILE A 11 -0.081 -16.056 -11.525 1.00 0.00 C ATOM 171 O ILE A 11 1.002 -16.441 -11.084 1.00 0.00 O ATOM 172 CB ILE A 11 -0.440 -14.162 -9.943 1.00 0.00 C ATOM 173 CG1 ILE A 11 -1.347 -13.642 -8.829 1.00 0.00 C ATOM 174 CG2 ILE A 11 -0.236 -13.048 -10.972 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.634 -12.521 -8.073 1.00 0.00 C ATOM 0 H ILE A 11 -0.936 -16.419 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.945 -15.044 -11.210 1.00 0.00 H new ATOM 0 HB ILE A 11 0.522 -14.463 -9.529 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.283 -13.274 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.602 -14.452 -8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.229 -12.188 -10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.409 -13.407 -11.774 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.200 -12.754 -11.386 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.281 -12.150 -7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.290 -12.905 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.402 -11.708 -8.761 1.00 0.00 H new ATOM 187 N THR A 12 -0.440 -16.209 -12.801 1.00 0.00 N ATOM 188 CA THR A 12 0.450 -16.853 -13.768 1.00 0.00 C ATOM 189 C THR A 12 1.222 -15.805 -14.561 1.00 0.00 C ATOM 190 O THR A 12 2.411 -15.971 -14.834 1.00 0.00 O ATOM 191 CB THR A 12 -0.365 -17.725 -14.726 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.291 -18.504 -13.980 1.00 0.00 O ATOM 193 CG2 THR A 12 0.576 -18.652 -15.499 1.00 0.00 C ATOM 0 H THR A 12 -1.332 -15.899 -13.186 1.00 0.00 H new ATOM 0 HA THR A 12 1.160 -17.477 -13.225 1.00 0.00 H new ATOM 0 HB THR A 12 -0.905 -17.090 -15.428 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.816 -19.062 -14.591 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.004 -19.273 -16.181 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.288 -18.055 -16.069 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.116 -19.289 -14.798 1.00 0.00 H new ATOM 201 N GLY A 13 0.537 -14.729 -14.930 1.00 0.00 N ATOM 202 CA GLY A 13 1.169 -13.659 -15.693 1.00 0.00 C ATOM 203 C GLY A 13 0.129 -12.723 -16.293 1.00 0.00 C ATOM 204 O GLY A 13 -1.054 -13.052 -16.356 1.00 0.00 O ATOM 0 H GLY A 13 -0.448 -14.574 -14.716 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.840 -13.094 -15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.779 -14.087 -16.488 1.00 0.00 H new ATOM 208 N PHE A 14 0.576 -11.553 -16.737 1.00 0.00 N ATOM 209 CA PHE A 14 -0.332 -10.583 -17.337 1.00 0.00 C ATOM 210 C PHE A 14 -0.667 -10.992 -18.775 1.00 0.00 C ATOM 211 O PHE A 14 0.033 -11.807 -19.378 1.00 0.00 O ATOM 212 CB PHE A 14 0.300 -9.179 -17.320 1.00 0.00 C ATOM 213 CG PHE A 14 1.800 -9.306 -17.422 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.370 -9.861 -18.570 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.619 -8.878 -16.371 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.761 -9.986 -18.670 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.007 -9.002 -16.467 1.00 0.00 C ATOM 218 CZ PHE A 14 4.581 -9.556 -17.618 1.00 0.00 C ATOM 0 H PHE A 14 1.551 -11.256 -16.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.253 -10.560 -16.754 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.083 -8.585 -18.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.029 -8.657 -16.402 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.738 -10.194 -19.380 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.177 -8.451 -15.483 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.202 -10.414 -19.558 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.637 -8.671 -15.654 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.654 -9.652 -17.695 1.00 0.00 H new ATOM 228 N SER A 15 -1.741 -10.424 -19.314 1.00 0.00 N ATOM 229 CA SER A 15 -2.159 -10.735 -20.679 1.00 0.00 C ATOM 230 C SER A 15 -1.299 -9.977 -21.688 1.00 0.00 C ATOM 231 O SER A 15 -0.619 -9.018 -21.337 1.00 0.00 O ATOM 232 CB SER A 15 -3.626 -10.359 -20.870 1.00 0.00 C ATOM 233 OG SER A 15 -4.136 -11.035 -22.012 1.00 0.00 O ATOM 0 H SER A 15 -2.335 -9.750 -18.831 1.00 0.00 H new ATOM 0 HA SER A 15 -2.034 -11.805 -20.845 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.202 -10.630 -19.985 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.724 -9.281 -20.997 1.00 0.00 H new ATOM 0 HG SER A 15 -5.079 -10.798 -22.138 1.00 0.00 H new ATOM 239 N ARG A 16 -1.336 -10.413 -22.941 1.00 0.00 N ATOM 240 CA ARG A 16 -0.560 -9.757 -23.985 1.00 0.00 C ATOM 241 C ARG A 16 -1.128 -8.364 -24.263 1.00 0.00 C ATOM 242 O ARG A 16 -0.381 -7.415 -24.504 1.00 0.00 O ATOM 243 CB ARG A 16 -0.581 -10.608 -25.258 1.00 0.00 C ATOM 244 CG ARG A 16 -1.990 -10.617 -25.848 1.00 0.00 C ATOM 245 CD ARG A 16 -2.058 -11.621 -26.998 1.00 0.00 C ATOM 246 NE ARG A 16 -3.403 -11.636 -27.569 1.00 0.00 N ATOM 247 CZ ARG A 16 -3.755 -10.790 -28.533 1.00 0.00 C ATOM 248 NH1 ARG A 16 -2.895 -9.918 -28.984 1.00 0.00 N ATOM 249 NH2 ARG A 16 -4.963 -10.829 -29.025 1.00 0.00 N ATOM 0 H ARG A 16 -1.889 -11.210 -23.257 1.00 0.00 H new ATOM 0 HA ARG A 16 0.472 -9.650 -23.652 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.126 -10.209 -25.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.265 -11.626 -25.032 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.716 -10.881 -25.079 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.252 -9.621 -26.205 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.331 -11.357 -27.766 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.795 -12.616 -26.639 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.086 -12.309 -27.221 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.952 -9.885 -28.597 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.166 -9.270 -29.723 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.636 -11.508 -28.670 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.234 -10.181 -29.764 1.00 0.00 H new ATOM 263 N GLU A 17 -2.454 -8.254 -24.216 1.00 0.00 N ATOM 264 CA GLU A 17 -3.123 -6.981 -24.450 1.00 0.00 C ATOM 265 C GLU A 17 -2.869 -6.022 -23.295 1.00 0.00 C ATOM 266 O GLU A 17 -3.120 -4.822 -23.409 1.00 0.00 O ATOM 267 CB GLU A 17 -4.633 -7.198 -24.597 1.00 0.00 C ATOM 268 CG GLU A 17 -4.945 -7.867 -25.941 1.00 0.00 C ATOM 269 CD GLU A 17 -4.605 -6.925 -27.094 1.00 0.00 C ATOM 270 OE1 GLU A 17 -4.540 -5.730 -26.858 1.00 0.00 O ATOM 271 OE2 GLU A 17 -4.408 -7.415 -28.195 1.00 0.00 O ATOM 0 H GLU A 17 -3.084 -9.032 -24.018 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.722 -6.551 -25.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.999 -7.819 -23.780 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.153 -6.243 -24.529 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.374 -8.790 -26.036 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.000 -8.139 -25.983 1.00 0.00 H new ATOM 278 N ILE A 18 -2.379 -6.554 -22.180 1.00 0.00 N ATOM 279 CA ILE A 18 -2.106 -5.726 -21.008 1.00 0.00 C ATOM 280 C ILE A 18 -1.456 -4.410 -21.426 1.00 0.00 C ATOM 281 O ILE A 18 -0.691 -4.371 -22.387 1.00 0.00 O ATOM 282 CB ILE A 18 -1.179 -6.477 -20.044 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.101 -5.726 -18.711 1.00 0.00 C ATOM 284 CG2 ILE A 18 0.224 -6.578 -20.651 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.461 -5.757 -17.991 1.00 0.00 C ATOM 0 H ILE A 18 -2.164 -7.544 -22.062 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.049 -5.509 -20.507 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.576 -7.478 -19.875 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.338 -6.177 -18.077 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.800 -4.693 -18.886 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.880 -7.112 -19.964 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.173 -7.117 -21.597 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.618 -5.577 -20.825 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.385 -5.218 -17.046 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.216 -5.284 -18.619 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.747 -6.791 -17.797 1.00 0.00 H new ATOM 297 N SER A 19 -1.769 -3.334 -20.709 1.00 0.00 N ATOM 298 CA SER A 19 -1.208 -2.025 -21.032 1.00 0.00 C ATOM 299 C SER A 19 0.167 -1.853 -20.376 1.00 0.00 C ATOM 300 O SER A 19 0.410 -2.405 -19.303 1.00 0.00 O ATOM 301 CB SER A 19 -2.146 -0.921 -20.539 1.00 0.00 C ATOM 302 OG SER A 19 -1.396 0.266 -20.314 1.00 0.00 O ATOM 0 H SER A 19 -2.401 -3.341 -19.909 1.00 0.00 H new ATOM 0 HA SER A 19 -1.096 -1.955 -22.114 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.928 -0.737 -21.275 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.641 -1.232 -19.619 1.00 0.00 H new ATOM 0 HG SER A 19 -1.994 0.976 -20.000 1.00 0.00 H new ATOM 308 N PRO A 20 1.066 -1.094 -20.968 1.00 0.00 N ATOM 309 CA PRO A 20 2.420 -0.865 -20.378 1.00 0.00 C ATOM 310 C PRO A 20 2.353 -0.467 -18.901 1.00 0.00 C ATOM 311 O PRO A 20 3.213 -0.848 -18.110 1.00 0.00 O ATOM 312 CB PRO A 20 2.992 0.292 -21.214 1.00 0.00 C ATOM 313 CG PRO A 20 2.298 0.209 -22.533 1.00 0.00 C ATOM 314 CD PRO A 20 0.913 -0.390 -22.262 1.00 0.00 C ATOM 0 HA PRO A 20 3.028 -1.769 -20.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.808 1.253 -20.733 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.071 0.196 -21.331 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.211 1.196 -22.988 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.860 -0.414 -23.228 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.149 0.385 -22.205 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.614 -1.075 -23.055 1.00 0.00 H new ATOM 322 N ALA A 21 1.346 0.323 -18.546 1.00 0.00 N ATOM 323 CA ALA A 21 1.205 0.786 -17.170 1.00 0.00 C ATOM 324 C ALA A 21 1.193 -0.382 -16.185 1.00 0.00 C ATOM 325 O ALA A 21 2.030 -0.452 -15.288 1.00 0.00 O ATOM 326 CB ALA A 21 -0.096 1.581 -17.023 1.00 0.00 C ATOM 0 H ALA A 21 0.622 0.654 -19.184 1.00 0.00 H new ATOM 0 HA ALA A 21 2.062 1.420 -16.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.198 1.925 -15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.075 2.441 -17.693 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.943 0.944 -17.278 1.00 0.00 H new ATOM 332 N TYR A 22 0.245 -1.294 -16.356 1.00 0.00 N ATOM 333 CA TYR A 22 0.138 -2.445 -15.467 1.00 0.00 C ATOM 334 C TYR A 22 1.379 -3.325 -15.574 1.00 0.00 C ATOM 335 O TYR A 22 1.958 -3.748 -14.567 1.00 0.00 O ATOM 336 CB TYR A 22 -1.107 -3.257 -15.823 1.00 0.00 C ATOM 337 CG TYR A 22 -1.243 -4.426 -14.877 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.480 -5.584 -15.079 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.143 -4.362 -13.801 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.617 -6.672 -14.212 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.276 -5.453 -12.937 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.514 -6.607 -13.143 1.00 0.00 C ATOM 343 OH TYR A 22 -1.647 -7.682 -12.288 1.00 0.00 O ATOM 0 H TYR A 22 -0.456 -1.261 -17.096 1.00 0.00 H new ATOM 0 HA TYR A 22 0.056 -2.086 -14.441 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.993 -2.625 -15.765 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.038 -3.615 -16.850 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.214 -5.636 -15.905 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.732 -3.471 -13.641 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.029 -7.564 -14.369 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.968 -5.404 -12.109 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.311 -7.472 -11.599 1.00 0.00 H new ATOM 353 N ARG A 23 1.786 -3.599 -16.805 1.00 0.00 N ATOM 354 CA ARG A 23 2.953 -4.430 -17.036 1.00 0.00 C ATOM 355 C ARG A 23 4.172 -3.821 -16.343 1.00 0.00 C ATOM 356 O ARG A 23 4.959 -4.526 -15.699 1.00 0.00 O ATOM 357 CB ARG A 23 3.204 -4.560 -18.541 1.00 0.00 C ATOM 358 CG ARG A 23 4.200 -5.692 -18.798 1.00 0.00 C ATOM 359 CD ARG A 23 4.407 -5.867 -20.303 1.00 0.00 C ATOM 360 NE ARG A 23 5.405 -6.902 -20.556 1.00 0.00 N ATOM 361 CZ ARG A 23 5.981 -7.026 -21.747 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.663 -6.209 -22.714 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.866 -7.964 -21.950 1.00 0.00 N ATOM 0 H ARG A 23 1.328 -3.260 -17.651 1.00 0.00 H new ATOM 0 HA ARG A 23 2.777 -5.423 -16.621 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.267 -4.761 -19.060 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.593 -3.622 -18.938 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.151 -5.469 -18.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.830 -6.620 -18.362 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.464 -6.136 -20.779 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.729 -4.924 -20.746 1.00 0.00 H new ATOM 0 HE ARG A 23 5.665 -7.541 -19.805 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.972 -5.475 -22.555 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.105 -6.304 -23.628 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.115 -8.602 -21.194 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.308 -8.059 -22.864 1.00 0.00 H new ATOM 377 N GLN A 24 4.314 -2.507 -16.467 1.00 0.00 N ATOM 378 CA GLN A 24 5.427 -1.807 -15.841 1.00 0.00 C ATOM 379 C GLN A 24 5.342 -1.933 -14.321 1.00 0.00 C ATOM 380 O GLN A 24 6.365 -2.077 -13.650 1.00 0.00 O ATOM 381 CB GLN A 24 5.408 -0.327 -16.236 1.00 0.00 C ATOM 382 CG GLN A 24 6.682 0.364 -15.735 1.00 0.00 C ATOM 383 CD GLN A 24 7.897 -0.180 -16.480 1.00 0.00 C ATOM 384 OE1 GLN A 24 7.825 -0.441 -17.681 1.00 0.00 O ATOM 385 NE2 GLN A 24 9.018 -0.366 -15.837 1.00 0.00 N ATOM 0 H GLN A 24 3.676 -1.908 -16.992 1.00 0.00 H new ATOM 0 HA GLN A 24 6.358 -2.258 -16.185 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.334 -0.232 -17.319 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.529 0.160 -15.813 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.605 1.441 -15.885 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.798 0.199 -14.664 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.077 -0.150 -14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.835 -0.728 -16.330 1.00 0.00 H new ATOM 394 N LYS A 25 4.125 -1.884 -13.774 1.00 0.00 N ATOM 395 CA LYS A 25 3.965 -2.006 -12.328 1.00 0.00 C ATOM 396 C LYS A 25 4.536 -3.332 -11.855 1.00 0.00 C ATOM 397 O LYS A 25 5.272 -3.376 -10.872 1.00 0.00 O ATOM 398 CB LYS A 25 2.486 -1.912 -11.925 1.00 0.00 C ATOM 399 CG LYS A 25 2.012 -0.463 -12.020 1.00 0.00 C ATOM 400 CD LYS A 25 0.523 -0.395 -11.681 1.00 0.00 C ATOM 401 CE LYS A 25 0.054 1.058 -11.741 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.399 1.125 -11.417 1.00 0.00 N ATOM 0 H LYS A 25 3.258 -1.764 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 25 4.504 -1.184 -11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.882 -2.545 -12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.353 -2.281 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.582 0.164 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.186 -0.077 -13.024 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.049 -1.002 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.346 -0.805 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.623 1.664 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.235 1.469 -12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.719 2.114 -11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.935 0.559 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.559 0.749 -10.461 1.00 0.00 H new ATOM 416 N LEU A 26 4.220 -4.409 -12.562 1.00 0.00 N ATOM 417 CA LEU A 26 4.746 -5.713 -12.172 1.00 0.00 C ATOM 418 C LEU A 26 6.268 -5.714 -12.260 1.00 0.00 C ATOM 419 O LEU A 26 6.949 -6.227 -11.372 1.00 0.00 O ATOM 420 CB LEU A 26 4.171 -6.824 -13.083 1.00 0.00 C ATOM 421 CG LEU A 26 2.854 -7.373 -12.514 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.100 -8.045 -11.144 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.846 -6.234 -12.373 1.00 0.00 C ATOM 0 H LEU A 26 3.619 -4.410 -13.386 1.00 0.00 H new ATOM 0 HA LEU A 26 4.446 -5.910 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.002 -6.428 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.896 -7.633 -13.179 1.00 0.00 H new ATOM 0 HG LEU A 26 2.454 -8.123 -13.196 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.158 -8.429 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.806 -8.867 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.510 -7.313 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.911 -6.623 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.245 -5.476 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.661 -5.788 -13.350 1.00 0.00 H new ATOM 435 N LEU A 27 6.794 -5.145 -13.335 1.00 0.00 N ATOM 436 CA LEU A 27 8.238 -5.102 -13.516 1.00 0.00 C ATOM 437 C LEU A 27 8.891 -4.269 -12.416 1.00 0.00 C ATOM 438 O LEU A 27 9.935 -4.638 -11.879 1.00 0.00 O ATOM 439 CB LEU A 27 8.582 -4.490 -14.881 1.00 0.00 C ATOM 440 CG LEU A 27 10.080 -4.700 -15.199 1.00 0.00 C ATOM 441 CD1 LEU A 27 10.283 -6.060 -15.874 1.00 0.00 C ATOM 442 CD2 LEU A 27 10.570 -3.600 -16.147 1.00 0.00 C ATOM 0 H LEU A 27 6.253 -4.713 -14.084 1.00 0.00 H new ATOM 0 HA LEU A 27 8.617 -6.123 -13.467 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.970 -4.949 -15.658 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.349 -3.425 -14.879 1.00 0.00 H new ATOM 0 HG LEU A 27 10.644 -4.663 -14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.341 -6.202 -16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.943 -6.852 -15.207 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.710 -6.095 -16.801 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.626 -3.754 -16.367 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.997 -3.636 -17.074 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.435 -2.627 -15.675 1.00 0.00 H new ATOM 454 N SER A 28 8.271 -3.141 -12.098 1.00 0.00 N ATOM 455 CA SER A 28 8.797 -2.244 -11.071 1.00 0.00 C ATOM 456 C SER A 28 8.615 -2.826 -9.678 1.00 0.00 C ATOM 457 O SER A 28 9.484 -2.693 -8.817 1.00 0.00 O ATOM 458 CB SER A 28 8.087 -0.895 -11.141 1.00 0.00 C ATOM 459 OG SER A 28 8.153 -0.399 -12.473 1.00 0.00 O ATOM 0 H SER A 28 7.405 -2.823 -12.534 1.00 0.00 H new ATOM 0 HA SER A 28 9.863 -2.117 -11.260 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.047 -1.001 -10.831 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.554 -0.189 -10.454 1.00 0.00 H new ATOM 0 HG SER A 28 7.547 -0.915 -13.045 1.00 0.00 H new ATOM 465 N LEU A 29 7.467 -3.452 -9.456 1.00 0.00 N ATOM 466 CA LEU A 29 7.160 -4.026 -8.159 1.00 0.00 C ATOM 467 C LEU A 29 7.812 -5.408 -8.036 1.00 0.00 C ATOM 468 O LEU A 29 7.716 -6.236 -8.940 1.00 0.00 O ATOM 469 CB LEU A 29 5.633 -4.113 -8.021 1.00 0.00 C ATOM 470 CG LEU A 29 5.212 -4.017 -6.554 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.689 -4.094 -6.473 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.841 -5.160 -5.758 1.00 0.00 C ATOM 0 H LEU A 29 6.736 -3.574 -10.157 1.00 0.00 H new ATOM 0 HA LEU A 29 7.556 -3.403 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.166 -3.310 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.278 -5.053 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 29 5.553 -3.072 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.376 -4.027 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.253 -3.270 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.350 -5.041 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.537 -5.086 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.508 -6.114 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.927 -5.096 -5.826 1.00 0.00 H new ATOM 484 N GLY A 30 8.486 -5.636 -6.914 1.00 0.00 N ATOM 485 CA GLY A 30 9.171 -6.905 -6.671 1.00 0.00 C ATOM 486 C GLY A 30 8.183 -8.020 -6.368 1.00 0.00 C ATOM 487 O GLY A 30 8.483 -8.948 -5.616 1.00 0.00 O ATOM 0 H GLY A 30 8.574 -4.959 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.766 -7.172 -7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.863 -6.793 -5.836 1.00 0.00 H new ATOM 491 N MET A 31 7.007 -7.928 -6.976 1.00 0.00 N ATOM 492 CA MET A 31 5.960 -8.930 -6.802 1.00 0.00 C ATOM 493 C MET A 31 5.552 -9.450 -8.164 1.00 0.00 C ATOM 494 O MET A 31 4.477 -9.130 -8.672 1.00 0.00 O ATOM 495 CB MET A 31 4.733 -8.325 -6.109 1.00 0.00 C ATOM 496 CG MET A 31 3.721 -9.430 -5.790 1.00 0.00 C ATOM 497 SD MET A 31 4.395 -10.522 -4.509 1.00 0.00 S ATOM 498 CE MET A 31 4.601 -12.013 -5.521 1.00 0.00 C ATOM 0 H MET A 31 6.752 -7.162 -7.600 1.00 0.00 H new ATOM 0 HA MET A 31 6.346 -9.738 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.034 -7.819 -5.192 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.274 -7.573 -6.752 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.783 -8.991 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.498 -10.003 -6.690 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.061 -12.799 -4.922 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.627 -12.350 -5.875 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.240 -11.788 -6.375 1.00 0.00 H new ATOM 508 N LEU A 32 6.425 -10.244 -8.756 1.00 0.00 N ATOM 509 CA LEU A 32 6.164 -10.802 -10.073 1.00 0.00 C ATOM 510 C LEU A 32 5.263 -12.038 -9.953 1.00 0.00 C ATOM 511 O LEU A 32 5.278 -12.722 -8.929 1.00 0.00 O ATOM 512 CB LEU A 32 7.496 -11.184 -10.744 1.00 0.00 C ATOM 513 CG LEU A 32 8.196 -9.949 -11.341 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.496 -9.495 -12.627 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.200 -8.801 -10.324 1.00 0.00 C ATOM 0 H LEU A 32 7.319 -10.517 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 32 5.655 -10.056 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.151 -11.658 -10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.313 -11.916 -11.530 1.00 0.00 H new ATOM 0 HG LEU A 32 9.223 -10.223 -11.581 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.008 -8.621 -13.031 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.522 -10.302 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.460 -9.239 -12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.697 -7.933 -10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.174 -8.540 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.732 -9.113 -9.425 1.00 0.00 H new ATOM 527 N PRO A 33 4.483 -12.337 -10.969 1.00 0.00 N ATOM 528 CA PRO A 33 3.569 -13.512 -10.962 1.00 0.00 C ATOM 529 C PRO A 33 4.209 -14.744 -10.337 1.00 0.00 C ATOM 530 O PRO A 33 5.415 -14.780 -10.094 1.00 0.00 O ATOM 531 CB PRO A 33 3.281 -13.755 -12.446 1.00 0.00 C ATOM 532 CG PRO A 33 3.435 -12.424 -13.109 1.00 0.00 C ATOM 533 CD PRO A 33 4.379 -11.586 -12.234 1.00 0.00 C ATOM 0 HA PRO A 33 2.675 -13.323 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.974 -14.484 -12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.276 -14.151 -12.590 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.843 -12.540 -14.113 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.468 -11.932 -13.212 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.355 -11.467 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.981 -10.585 -12.069 1.00 0.00 H new ATOM 541 N GLY A 34 3.387 -15.759 -10.092 1.00 0.00 N ATOM 542 CA GLY A 34 3.861 -17.007 -9.504 1.00 0.00 C ATOM 543 C GLY A 34 3.233 -17.227 -8.132 1.00 0.00 C ATOM 544 O GLY A 34 3.226 -18.343 -7.611 1.00 0.00 O ATOM 0 H GLY A 34 2.387 -15.742 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.614 -17.841 -10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.947 -16.983 -9.413 1.00 0.00 H new ATOM 548 N SER A 35 2.700 -16.152 -7.553 1.00 0.00 N ATOM 549 CA SER A 35 2.056 -16.220 -6.239 1.00 0.00 C ATOM 550 C SER A 35 0.542 -16.196 -6.392 1.00 0.00 C ATOM 551 O SER A 35 0.018 -16.322 -7.498 1.00 0.00 O ATOM 552 CB SER A 35 2.491 -15.038 -5.375 1.00 0.00 C ATOM 553 OG SER A 35 3.906 -15.046 -5.240 1.00 0.00 O ATOM 0 H SER A 35 2.701 -15.222 -7.972 1.00 0.00 H new ATOM 0 HA SER A 35 2.357 -17.151 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.163 -14.102 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.021 -15.099 -4.393 1.00 0.00 H new ATOM 0 HG SER A 35 4.148 -14.802 -4.322 1.00 0.00 H new ATOM 559 N SER A 36 -0.161 -16.033 -5.271 1.00 0.00 N ATOM 560 CA SER A 36 -1.626 -15.993 -5.284 1.00 0.00 C ATOM 561 C SER A 36 -2.137 -14.808 -4.472 1.00 0.00 C ATOM 562 O SER A 36 -1.455 -14.315 -3.575 1.00 0.00 O ATOM 563 CB SER A 36 -2.187 -17.289 -4.703 1.00 0.00 C ATOM 564 OG SER A 36 -1.882 -18.366 -5.578 1.00 0.00 O ATOM 0 H SER A 36 0.256 -15.927 -4.346 1.00 0.00 H new ATOM 0 HA SER A 36 -1.959 -15.882 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.760 -17.474 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.266 -17.206 -4.573 1.00 0.00 H new ATOM 0 HG SER A 36 -1.478 -19.098 -5.067 1.00 0.00 H new ATOM 570 N PHE A 37 -3.350 -14.354 -4.793 1.00 0.00 N ATOM 571 CA PHE A 37 -3.953 -13.222 -4.088 1.00 0.00 C ATOM 572 C PHE A 37 -5.386 -13.559 -3.688 1.00 0.00 C ATOM 573 O PHE A 37 -6.031 -14.408 -4.309 1.00 0.00 O ATOM 574 CB PHE A 37 -3.949 -11.980 -4.988 1.00 0.00 C ATOM 575 CG PHE A 37 -4.945 -12.145 -6.110 1.00 0.00 C ATOM 576 CD1 PHE A 37 -4.557 -12.731 -7.318 1.00 0.00 C ATOM 577 CD2 PHE A 37 -6.260 -11.706 -5.933 1.00 0.00 C ATOM 578 CE1 PHE A 37 -5.487 -12.879 -8.353 1.00 0.00 C ATOM 579 CE2 PHE A 37 -7.192 -11.853 -6.967 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.805 -12.439 -8.178 1.00 0.00 C ATOM 0 H PHE A 37 -3.931 -14.750 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.369 -13.017 -3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.196 -11.096 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.951 -11.822 -5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.540 -13.069 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.557 -11.253 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.188 -13.332 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.209 -11.515 -6.831 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.523 -12.552 -8.977 1.00 0.00 H new ATOM 590 N ASN A 38 -5.880 -12.890 -2.643 1.00 0.00 N ATOM 591 CA ASN A 38 -7.243 -13.119 -2.156 1.00 0.00 C ATOM 592 C ASN A 38 -8.118 -11.889 -2.390 1.00 0.00 C ATOM 593 O ASN A 38 -7.655 -10.741 -2.303 1.00 0.00 O ATOM 594 CB ASN A 38 -7.212 -13.447 -0.661 1.00 0.00 C ATOM 595 CG ASN A 38 -8.533 -14.082 -0.237 1.00 0.00 C ATOM 596 OD1 ASN A 38 -9.034 -13.805 0.936 1.00 0.00 O flip ATOM 597 ND2 ASN A 38 -9.124 -14.852 -0.995 1.00 0.00 N flip ATOM 0 H ASN A 38 -5.358 -12.187 -2.119 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.667 -13.958 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.387 -14.127 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.034 -12.539 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.731 -15.067 -1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.006 -15.274 -0.706 1.00 0.00 H new ATOM 604 N VAL A 39 -9.392 -12.137 -2.686 1.00 0.00 N ATOM 605 CA VAL A 39 -10.329 -11.053 -2.934 1.00 0.00 C ATOM 606 C VAL A 39 -10.878 -10.521 -1.614 1.00 0.00 C ATOM 607 O VAL A 39 -11.381 -11.280 -0.789 1.00 0.00 O ATOM 608 CB VAL A 39 -11.491 -11.552 -3.803 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.467 -10.397 -4.077 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.948 -12.101 -5.132 1.00 0.00 C ATOM 0 H VAL A 39 -9.793 -13.072 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.804 -10.252 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.017 -12.348 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.291 -10.755 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.859 -10.020 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.945 -9.595 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.777 -12.454 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.415 -11.311 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.266 -12.928 -4.933 1.00 0.00 H new ATOM 620 N VAL A 40 -10.780 -9.211 -1.425 1.00 0.00 N ATOM 621 CA VAL A 40 -11.276 -8.588 -0.204 1.00 0.00 C ATOM 622 C VAL A 40 -12.803 -8.607 -0.157 1.00 0.00 C ATOM 623 O VAL A 40 -13.395 -8.810 0.903 1.00 0.00 O ATOM 624 CB VAL A 40 -10.750 -7.145 -0.110 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.944 -6.413 -1.455 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.497 -6.392 1.004 1.00 0.00 C ATOM 0 H VAL A 40 -10.365 -8.564 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.912 -9.159 0.651 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.685 -7.174 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.567 -5.394 -1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.398 -6.939 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.004 -6.388 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.122 -5.371 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.563 -6.374 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.336 -6.898 1.956 1.00 0.00 H new ATOM 636 N ARG A 41 -13.430 -8.373 -1.302 1.00 0.00 N ATOM 637 CA ARG A 41 -14.883 -8.342 -1.372 1.00 0.00 C ATOM 638 C ARG A 41 -15.346 -8.211 -2.816 1.00 0.00 C ATOM 639 O ARG A 41 -14.590 -7.768 -3.681 1.00 0.00 O ATOM 640 CB ARG A 41 -15.405 -7.148 -0.569 1.00 0.00 C ATOM 641 CG ARG A 41 -14.896 -5.842 -1.198 1.00 0.00 C ATOM 642 CD ARG A 41 -15.380 -4.655 -0.363 1.00 0.00 C ATOM 643 NE ARG A 41 -14.766 -4.682 0.958 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.111 -3.802 1.892 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.022 -2.902 1.638 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.541 -3.839 3.066 1.00 0.00 N ATOM 0 H ARG A 41 -12.958 -8.203 -2.190 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.272 -9.272 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.495 -7.156 -0.554 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.071 -7.219 0.466 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.807 -5.848 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.259 -5.753 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.132 -3.721 -0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.465 -4.687 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.060 -5.387 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.470 -2.874 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.286 -2.227 2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.831 -4.543 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.806 -3.164 3.783 1.00 0.00 H new ATOM 660 N VAL A 42 -16.601 -8.566 -3.065 1.00 0.00 N ATOM 661 CA VAL A 42 -17.174 -8.453 -4.405 1.00 0.00 C ATOM 662 C VAL A 42 -18.575 -7.863 -4.310 1.00 0.00 C ATOM 663 O VAL A 42 -19.482 -8.504 -3.787 1.00 0.00 O ATOM 664 CB VAL A 42 -17.231 -9.834 -5.064 1.00 0.00 C ATOM 665 CG1 VAL A 42 -18.012 -9.752 -6.376 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.807 -10.312 -5.344 1.00 0.00 C ATOM 0 H VAL A 42 -17.241 -8.933 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.549 -7.798 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.732 -10.536 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.049 -10.738 -6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.026 -9.408 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.518 -9.052 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.839 -11.295 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.311 -9.607 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.254 -10.375 -4.407 1.00 0.00 H new ATOM 676 N ALA A 43 -18.747 -6.639 -4.813 1.00 0.00 N ATOM 677 CA ALA A 43 -20.051 -5.974 -4.777 1.00 0.00 C ATOM 678 C ALA A 43 -20.821 -6.201 -6.092 1.00 0.00 C ATOM 679 O ALA A 43 -20.446 -5.636 -7.119 1.00 0.00 O ATOM 680 CB ALA A 43 -19.842 -4.473 -4.571 1.00 0.00 C ATOM 0 H ALA A 43 -18.005 -6.091 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.633 -6.393 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.809 -3.971 -4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.319 -4.304 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.249 -4.072 -5.393 1.00 0.00 H new ATOM 686 N PRO A 44 -21.890 -6.980 -6.101 1.00 0.00 N ATOM 687 CA PRO A 44 -22.691 -7.209 -7.347 1.00 0.00 C ATOM 688 C PRO A 44 -23.221 -5.903 -7.940 1.00 0.00 C ATOM 689 O PRO A 44 -23.716 -5.879 -9.066 1.00 0.00 O ATOM 690 CB PRO A 44 -23.854 -8.113 -6.899 1.00 0.00 C ATOM 691 CG PRO A 44 -23.392 -8.753 -5.633 1.00 0.00 C ATOM 692 CD PRO A 44 -22.449 -7.748 -4.967 1.00 0.00 C ATOM 0 HA PRO A 44 -22.084 -7.658 -8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.763 -7.533 -6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -24.084 -8.862 -7.657 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.236 -8.985 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.879 -9.693 -5.836 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.982 -7.101 -4.270 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.665 -8.250 -4.400 1.00 0.00 H new ATOM 700 N LEU A 45 -23.132 -4.829 -7.166 1.00 0.00 N ATOM 701 CA LEU A 45 -23.626 -3.531 -7.611 1.00 0.00 C ATOM 702 C LEU A 45 -23.059 -3.176 -8.985 1.00 0.00 C ATOM 703 O LEU A 45 -23.439 -2.163 -9.575 1.00 0.00 O ATOM 704 CB LEU A 45 -23.219 -2.454 -6.604 1.00 0.00 C ATOM 705 CG LEU A 45 -23.764 -2.804 -5.213 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.266 -1.767 -4.202 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.304 -2.809 -5.234 1.00 0.00 C ATOM 0 H LEU A 45 -22.724 -4.830 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.712 -3.583 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.133 -2.370 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.603 -1.484 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.413 -3.795 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.650 -2.011 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.176 -1.774 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.617 -0.777 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.681 -3.059 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.667 -1.823 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.656 -3.549 -5.952 1.00 0.00 H new ATOM 719 N GLY A 46 -22.157 -4.013 -9.494 1.00 0.00 N ATOM 720 CA GLY A 46 -21.556 -3.775 -10.802 1.00 0.00 C ATOM 721 C GLY A 46 -20.303 -2.920 -10.679 1.00 0.00 C ATOM 722 O GLY A 46 -19.980 -2.145 -11.578 1.00 0.00 O ATOM 0 H GLY A 46 -21.829 -4.856 -9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.306 -4.727 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.277 -3.279 -11.452 1.00 0.00 H new ATOM 726 N ASP A 47 -19.596 -3.065 -9.558 1.00 0.00 N ATOM 727 CA ASP A 47 -18.373 -2.300 -9.321 1.00 0.00 C ATOM 728 C ASP A 47 -17.151 -3.148 -9.692 1.00 0.00 C ATOM 729 O ASP A 47 -17.252 -4.369 -9.793 1.00 0.00 O ATOM 730 CB ASP A 47 -18.305 -1.881 -7.831 1.00 0.00 C ATOM 731 CG ASP A 47 -18.678 -0.408 -7.664 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.858 -0.127 -7.542 1.00 0.00 O ATOM 733 OD2 ASP A 47 -17.776 0.414 -7.659 1.00 0.00 O ATOM 0 H ASP A 47 -19.848 -3.703 -8.803 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.378 -1.404 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.982 -2.501 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.300 -2.052 -7.446 1.00 0.00 H new ATOM 738 N PRO A 48 -16.003 -2.534 -9.884 1.00 0.00 N ATOM 739 CA PRO A 48 -14.761 -3.279 -10.239 1.00 0.00 C ATOM 740 C PRO A 48 -14.477 -4.411 -9.257 1.00 0.00 C ATOM 741 O PRO A 48 -15.310 -4.744 -8.414 1.00 0.00 O ATOM 742 CB PRO A 48 -13.647 -2.218 -10.183 1.00 0.00 C ATOM 743 CG PRO A 48 -14.343 -0.903 -10.352 1.00 0.00 C ATOM 744 CD PRO A 48 -15.760 -1.078 -9.792 1.00 0.00 C ATOM 0 HA PRO A 48 -14.843 -3.754 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.111 -2.260 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.912 -2.378 -10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.812 -0.113 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.375 -0.615 -11.403 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.829 -0.726 -8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.491 -0.514 -10.371 1.00 0.00 H new ATOM 752 N ILE A 49 -13.295 -5.003 -9.384 1.00 0.00 N ATOM 753 CA ILE A 49 -12.892 -6.107 -8.519 1.00 0.00 C ATOM 754 C ILE A 49 -11.794 -5.636 -7.575 1.00 0.00 C ATOM 755 O ILE A 49 -10.686 -5.318 -8.009 1.00 0.00 O ATOM 756 CB ILE A 49 -12.369 -7.269 -9.390 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.220 -7.376 -10.667 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.433 -8.592 -8.612 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.678 -7.705 -10.322 1.00 0.00 C ATOM 0 H ILE A 49 -12.597 -4.737 -10.079 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.746 -6.448 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.331 -7.071 -9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.175 -6.438 -11.220 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.812 -8.149 -11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.061 -9.402 -9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.819 -8.517 -7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.465 -8.798 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.262 -7.776 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.720 -8.656 -9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.089 -6.917 -9.690 1.00 0.00 H new ATOM 771 N HIS A 50 -12.103 -5.590 -6.283 1.00 0.00 N ATOM 772 CA HIS A 50 -11.130 -5.151 -5.286 1.00 0.00 C ATOM 773 C HIS A 50 -10.445 -6.346 -4.653 1.00 0.00 C ATOM 774 O HIS A 50 -11.104 -7.265 -4.166 1.00 0.00 O ATOM 775 CB HIS A 50 -11.824 -4.325 -4.197 1.00 0.00 C ATOM 776 CG HIS A 50 -12.169 -2.961 -4.735 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.398 -2.508 -6.009 1.00 0.00 N flip ATOM 778 CD2 HIS A 50 -12.299 -1.854 -3.911 1.00 0.00 C flip ATOM 779 CE1 HIS A 50 -12.668 -1.143 -5.981 1.00 0.00 C flip ATOM 780 NE2 HIS A 50 -12.595 -0.800 -4.694 1.00 0.00 N flip ATOM 0 H HIS A 50 -13.013 -5.849 -5.902 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.382 -4.535 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.728 -4.834 -3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.172 -4.230 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.184 -1.840 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.889 -0.500 -6.820 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.745 0.147 -4.345 1.00 0.00 H new ATOM 788 N ILE A 51 -9.112 -6.329 -4.655 1.00 0.00 N ATOM 789 CA ILE A 51 -8.335 -7.418 -4.068 1.00 0.00 C ATOM 790 C ILE A 51 -7.325 -6.878 -3.069 1.00 0.00 C ATOM 791 O ILE A 51 -6.821 -5.758 -3.217 1.00 0.00 O ATOM 792 CB ILE A 51 -7.607 -8.203 -5.167 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.713 -7.262 -5.989 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.633 -8.861 -6.093 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.724 -8.088 -6.811 1.00 0.00 C ATOM 0 H ILE A 51 -8.551 -5.577 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.022 -8.085 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.987 -8.968 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.324 -6.646 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.175 -6.584 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.114 -9.418 -6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.260 -9.542 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.257 -8.092 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.089 -7.421 -7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.104 -8.685 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.272 -8.748 -7.484 1.00 0.00 H new ATOM 807 N GLU A 52 -7.018 -7.687 -2.053 1.00 0.00 N ATOM 808 CA GLU A 52 -6.054 -7.282 -1.029 1.00 0.00 C ATOM 809 C GLU A 52 -5.099 -8.419 -0.719 1.00 0.00 C ATOM 810 O GLU A 52 -5.520 -9.552 -0.492 1.00 0.00 O ATOM 811 CB GLU A 52 -6.782 -6.865 0.249 1.00 0.00 C ATOM 812 CG GLU A 52 -7.541 -5.560 -0.005 1.00 0.00 C ATOM 813 CD GLU A 52 -8.359 -5.182 1.223 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.319 -5.927 2.189 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.014 -4.154 1.181 1.00 0.00 O ATOM 0 H GLU A 52 -7.418 -8.616 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.486 -6.434 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.474 -7.648 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.068 -6.732 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.838 -4.762 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.197 -5.674 -0.868 1.00 0.00 H new ATOM 822 N THR A 53 -3.803 -8.107 -0.706 1.00 0.00 N ATOM 823 CA THR A 53 -2.782 -9.109 -0.417 1.00 0.00 C ATOM 824 C THR A 53 -1.899 -8.639 0.727 1.00 0.00 C ATOM 825 O THR A 53 -1.507 -7.471 0.784 1.00 0.00 O ATOM 826 CB THR A 53 -1.931 -9.347 -1.669 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.916 -8.353 -1.739 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.816 -9.261 -2.923 1.00 0.00 C ATOM 0 H THR A 53 -3.438 -7.173 -0.891 1.00 0.00 H new ATOM 0 HA THR A 53 -3.266 -10.041 -0.126 1.00 0.00 H new ATOM 0 HB THR A 53 -1.477 -10.337 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.367 -8.501 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.207 -9.431 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.598 -10.019 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.272 -8.273 -2.980 1.00 0.00 H new ATOM 836 N ARG A 54 -1.591 -9.558 1.635 1.00 0.00 N ATOM 837 CA ARG A 54 -0.758 -9.250 2.791 1.00 0.00 C ATOM 838 C ARG A 54 0.376 -8.306 2.404 1.00 0.00 C ATOM 839 O ARG A 54 0.910 -7.582 3.244 1.00 0.00 O ATOM 840 CB ARG A 54 -0.179 -10.541 3.369 1.00 0.00 C ATOM 841 CG ARG A 54 -1.321 -11.503 3.701 1.00 0.00 C ATOM 842 CD ARG A 54 -0.745 -12.800 4.269 1.00 0.00 C ATOM 843 NE ARG A 54 -0.008 -13.517 3.236 1.00 0.00 N ATOM 844 CZ ARG A 54 0.621 -14.657 3.503 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.589 -15.154 4.709 1.00 0.00 N ATOM 846 NH2 ARG A 54 1.273 -15.278 2.559 1.00 0.00 N ATOM 0 H ARG A 54 -1.907 -10.527 1.592 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.377 -8.759 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.502 -11.000 2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.401 -10.323 4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.998 -11.046 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.906 -11.714 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.086 -12.577 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.550 -13.427 4.653 1.00 0.00 H new ATOM 0 HE ARG A 54 0.026 -13.137 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.081 -14.668 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.072 -16.029 4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.300 -14.889 1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.756 -16.153 2.763 1.00 0.00 H new ATOM 860 N ARG A 55 0.743 -8.329 1.126 1.00 0.00 N ATOM 861 CA ARG A 55 1.820 -7.479 0.632 1.00 0.00 C ATOM 862 C ARG A 55 1.305 -6.089 0.272 1.00 0.00 C ATOM 863 O ARG A 55 1.875 -5.084 0.691 1.00 0.00 O ATOM 864 CB ARG A 55 2.444 -8.115 -0.612 1.00 0.00 C ATOM 865 CG ARG A 55 3.186 -9.390 -0.217 1.00 0.00 C ATOM 866 CD ARG A 55 3.786 -10.034 -1.466 1.00 0.00 C ATOM 867 NE ARG A 55 4.516 -11.246 -1.103 1.00 0.00 N ATOM 868 CZ ARG A 55 3.902 -12.423 -1.011 1.00 0.00 C ATOM 869 NH1 ARG A 55 2.621 -12.512 -1.248 1.00 0.00 N ATOM 870 NH2 ARG A 55 4.579 -13.486 -0.681 1.00 0.00 N ATOM 0 H ARG A 55 0.313 -8.924 0.418 1.00 0.00 H new ATOM 0 HA ARG A 55 2.564 -7.382 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.669 -8.345 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.131 -7.414 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.973 -9.159 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.503 -10.085 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.995 -10.275 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.456 -9.331 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 55 5.517 -11.189 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.091 -11.679 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.151 -13.414 -1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.579 -13.416 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.109 -14.388 -0.610 1.00 0.00 H new ATOM 884 N VAL A 56 0.227 -6.046 -0.510 1.00 0.00 N ATOM 885 CA VAL A 56 -0.355 -4.776 -0.943 1.00 0.00 C ATOM 886 C VAL A 56 -1.789 -4.980 -1.413 1.00 0.00 C ATOM 887 O VAL A 56 -2.334 -6.078 -1.316 1.00 0.00 O ATOM 888 CB VAL A 56 0.456 -4.180 -2.101 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.826 -3.707 -1.607 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.645 -5.242 -3.188 1.00 0.00 C ATOM 0 H VAL A 56 -0.260 -6.873 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.338 -4.095 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.085 -3.325 -2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.388 -3.287 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.693 -2.945 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.374 -4.552 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.221 -4.821 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.178 -6.097 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.329 -5.565 -3.554 1.00 0.00 H new ATOM 900 N SER A 57 -2.395 -3.910 -1.934 1.00 0.00 N ATOM 901 CA SER A 57 -3.772 -3.972 -2.431 1.00 0.00 C ATOM 902 C SER A 57 -3.869 -3.358 -3.821 1.00 0.00 C ATOM 903 O SER A 57 -3.088 -2.479 -4.181 1.00 0.00 O ATOM 904 CB SER A 57 -4.704 -3.219 -1.483 1.00 0.00 C ATOM 905 OG SER A 57 -4.251 -1.878 -1.346 1.00 0.00 O ATOM 0 H SER A 57 -1.956 -2.994 -2.023 1.00 0.00 H new ATOM 0 HA SER A 57 -4.069 -5.019 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.723 -3.233 -1.869 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.725 -3.709 -0.510 1.00 0.00 H new ATOM 0 HG SER A 57 -4.848 -1.391 -0.740 1.00 0.00 H new ATOM 911 N LEU A 58 -4.834 -3.837 -4.604 1.00 0.00 N ATOM 912 CA LEU A 58 -5.027 -3.335 -5.965 1.00 0.00 C ATOM 913 C LEU A 58 -6.477 -3.530 -6.400 1.00 0.00 C ATOM 914 O LEU A 58 -7.153 -4.453 -5.946 1.00 0.00 O ATOM 915 CB LEU A 58 -4.087 -4.079 -6.926 1.00 0.00 C ATOM 916 CG LEU A 58 -4.244 -3.552 -8.362 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.839 -2.073 -8.444 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.351 -4.373 -9.294 1.00 0.00 C ATOM 0 H LEU A 58 -5.490 -4.566 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.797 -2.270 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.054 -3.956 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.304 -5.147 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.288 -3.644 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.957 -1.720 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.474 -1.485 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.798 -1.963 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.456 -4.006 -10.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.312 -4.278 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.648 -5.421 -9.253 1.00 0.00 H new ATOM 930 N VAL A 59 -6.945 -2.661 -7.298 1.00 0.00 N ATOM 931 CA VAL A 59 -8.312 -2.749 -7.815 1.00 0.00 C ATOM 932 C VAL A 59 -8.270 -2.967 -9.317 1.00 0.00 C ATOM 933 O VAL A 59 -7.593 -2.238 -10.042 1.00 0.00 O ATOM 934 CB VAL A 59 -9.082 -1.457 -7.511 1.00 0.00 C ATOM 935 CG1 VAL A 59 -10.402 -1.422 -8.308 1.00 0.00 C ATOM 936 CG2 VAL A 59 -9.374 -1.388 -6.015 1.00 0.00 C ATOM 0 H VAL A 59 -6.399 -1.890 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.818 -3.585 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.478 -0.599 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.938 -0.500 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.184 -1.464 -9.375 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.018 -2.277 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.921 -0.472 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.974 -2.249 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.436 -1.394 -5.460 1.00 0.00 H new ATOM 946 N LEU A 60 -9.003 -3.971 -9.783 1.00 0.00 N ATOM 947 CA LEU A 60 -9.046 -4.277 -11.210 1.00 0.00 C ATOM 948 C LEU A 60 -10.472 -4.596 -11.644 1.00 0.00 C ATOM 949 O LEU A 60 -11.280 -5.064 -10.847 1.00 0.00 O ATOM 950 CB LEU A 60 -8.134 -5.470 -11.517 1.00 0.00 C ATOM 951 CG LEU A 60 -6.667 -5.106 -11.251 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.806 -6.370 -11.365 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.179 -4.055 -12.270 1.00 0.00 C ATOM 0 H LEU A 60 -9.572 -4.584 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.697 -3.404 -11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.421 -6.323 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.257 -5.772 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.581 -4.686 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.762 -6.118 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.139 -7.105 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.903 -6.787 -12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.137 -3.808 -12.067 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.267 -4.458 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.788 -3.155 -12.185 1.00 0.00 H new ATOM 965 N ARG A 61 -10.776 -4.337 -12.913 1.00 0.00 N ATOM 966 CA ARG A 61 -12.112 -4.601 -13.440 1.00 0.00 C ATOM 967 C ARG A 61 -12.262 -6.079 -13.800 1.00 0.00 C ATOM 968 O ARG A 61 -11.273 -6.794 -13.946 1.00 0.00 O ATOM 969 CB ARG A 61 -12.363 -3.727 -14.684 1.00 0.00 C ATOM 970 CG ARG A 61 -13.874 -3.452 -14.861 1.00 0.00 C ATOM 971 CD ARG A 61 -14.277 -2.211 -14.058 1.00 0.00 C ATOM 972 NE ARG A 61 -13.562 -1.038 -14.555 1.00 0.00 N ATOM 973 CZ ARG A 61 -14.017 -0.339 -15.590 1.00 0.00 C ATOM 974 NH1 ARG A 61 -15.136 -0.682 -16.168 1.00 0.00 N ATOM 975 NH2 ARG A 61 -13.348 0.693 -16.025 1.00 0.00 N ATOM 0 H ARG A 61 -10.121 -3.948 -13.591 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.847 -4.355 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.825 -2.784 -14.587 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.973 -4.227 -15.571 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.104 -3.303 -15.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.451 -4.315 -14.527 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.352 -2.051 -14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.053 -2.363 -13.002 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.696 -0.750 -14.099 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.661 -1.486 -15.825 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.485 -0.146 -16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.476 0.964 -15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.697 1.229 -16.819 1.00 0.00 H new ATOM 989 N LYS A 62 -13.501 -6.526 -13.951 1.00 0.00 N ATOM 990 CA LYS A 62 -13.766 -7.913 -14.305 1.00 0.00 C ATOM 991 C LYS A 62 -13.075 -8.271 -15.618 1.00 0.00 C ATOM 992 O LYS A 62 -12.563 -9.381 -15.785 1.00 0.00 O ATOM 993 CB LYS A 62 -15.276 -8.122 -14.444 1.00 0.00 C ATOM 994 CG LYS A 62 -15.795 -7.308 -15.635 1.00 0.00 C ATOM 995 CD LYS A 62 -17.328 -7.295 -15.634 1.00 0.00 C ATOM 996 CE LYS A 62 -17.868 -8.693 -15.949 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.320 -8.600 -16.267 1.00 0.00 N ATOM 0 H LYS A 62 -14.335 -5.951 -13.834 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.375 -8.559 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.496 -9.180 -14.589 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.783 -7.813 -13.530 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.415 -6.288 -15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.427 -7.737 -16.567 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.696 -6.965 -14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.694 -6.581 -16.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.326 -9.123 -16.791 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.712 -9.356 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.690 -9.548 -16.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.830 -8.206 -15.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.456 -7.981 -17.091 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.060 -7.322 -16.546 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.428 -7.546 -17.840 1.00 0.00 C ATOM 1013 C LYS A 63 -10.940 -7.828 -17.657 1.00 0.00 C ATOM 1014 O LYS A 63 -10.379 -8.706 -18.315 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.605 -6.312 -18.729 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.082 -6.120 -19.051 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.246 -4.888 -19.938 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.728 -4.676 -20.225 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.907 -3.456 -21.063 1.00 0.00 N ATOM 0 H LYS A 63 -13.474 -6.397 -16.429 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.901 -8.406 -18.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.215 -5.429 -18.224 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.034 -6.430 -19.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.474 -7.002 -19.557 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.654 -6.000 -18.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.829 -4.010 -19.444 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.697 -5.020 -20.870 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.137 -5.546 -20.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.278 -4.571 -19.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.919 -3.314 -21.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.532 -2.629 -20.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.395 -3.573 -21.961 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.306 -7.083 -16.758 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.884 -7.268 -16.504 1.00 0.00 C ATOM 1035 C ASP A 64 -8.612 -8.686 -16.021 1.00 0.00 C ATOM 1036 O ASP A 64 -7.699 -9.347 -16.502 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.405 -6.274 -15.446 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.353 -4.866 -16.030 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.438 -4.745 -17.240 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.231 -3.931 -15.255 1.00 0.00 O ATOM 0 H ASP A 64 -10.749 -6.354 -16.199 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.344 -7.096 -17.435 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.076 -6.295 -14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.418 -6.563 -15.086 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.418 -9.162 -15.082 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.233 -10.511 -14.566 1.00 0.00 C ATOM 1047 C LEU A 65 -9.391 -11.530 -15.689 1.00 0.00 C ATOM 1048 O LEU A 65 -8.635 -12.498 -15.768 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.249 -10.793 -13.442 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.681 -10.345 -12.092 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.351 -8.857 -12.135 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.700 -10.605 -11.003 1.00 0.00 C ATOM 0 H LEU A 65 -10.193 -8.645 -14.668 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.226 -10.596 -14.157 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.182 -10.267 -13.645 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.483 -11.857 -13.411 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.771 -10.908 -11.883 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.948 -8.546 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.613 -8.670 -12.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.257 -8.290 -12.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.295 -10.286 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.611 -10.046 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.928 -11.670 -10.965 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.369 -11.308 -16.555 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.594 -12.223 -17.664 1.00 0.00 C ATOM 1066 C ALA A 66 -9.333 -12.345 -18.520 1.00 0.00 C ATOM 1067 O ALA A 66 -8.870 -13.451 -18.801 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.753 -11.723 -18.525 1.00 0.00 C ATOM 0 H ALA A 66 -11.010 -10.516 -16.513 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.841 -13.204 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.915 -12.413 -19.353 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.657 -11.664 -17.919 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.514 -10.735 -18.918 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.780 -11.204 -18.931 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.569 -11.206 -19.756 1.00 0.00 C ATOM 1076 C LEU A 67 -6.357 -11.708 -18.967 1.00 0.00 C ATOM 1077 O LEU A 67 -5.546 -12.476 -19.485 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.288 -9.784 -20.284 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.046 -9.537 -21.592 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -9.551 -9.592 -21.338 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.666 -8.159 -22.133 1.00 0.00 C ATOM 0 H LEU A 67 -9.144 -10.277 -18.711 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.737 -11.883 -20.594 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.588 -9.047 -19.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.218 -9.655 -20.447 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.782 -10.305 -22.319 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.084 -9.416 -22.272 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.818 -10.574 -20.947 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.826 -8.826 -20.613 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.201 -7.974 -23.065 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.933 -7.395 -21.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.592 -8.124 -22.318 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.233 -11.260 -17.723 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.102 -11.657 -16.891 1.00 0.00 C ATOM 1095 C LEU A 68 -5.096 -13.166 -16.693 1.00 0.00 C ATOM 1096 O LEU A 68 -6.136 -13.767 -16.422 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.198 -10.960 -15.532 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.922 -9.452 -15.685 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.401 -8.720 -14.427 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.420 -9.194 -15.881 1.00 0.00 C ATOM 0 H LEU A 68 -6.894 -10.628 -17.271 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.177 -11.364 -17.388 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.189 -11.114 -15.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.481 -11.400 -14.839 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.458 -9.084 -16.560 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.207 -7.652 -14.531 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.471 -8.884 -14.296 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.866 -9.102 -13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.246 -8.123 -15.987 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.871 -9.567 -15.017 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.077 -9.708 -16.779 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.922 -13.780 -16.843 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.821 -15.229 -16.687 1.00 0.00 C ATOM 1114 C GLU A 69 -3.814 -15.615 -15.210 1.00 0.00 C ATOM 1115 O GLU A 69 -2.829 -15.392 -14.498 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.546 -15.741 -17.360 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.647 -15.524 -18.870 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.348 -15.951 -19.545 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.461 -16.406 -18.843 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.259 -15.815 -20.755 1.00 0.00 O ATOM 0 H GLU A 69 -3.046 -13.308 -17.067 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.689 -15.686 -17.162 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.677 -15.217 -16.963 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.407 -16.800 -17.142 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.482 -16.097 -19.273 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.849 -14.474 -19.082 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.921 -16.203 -14.751 1.00 0.00 N ATOM 1128 CA VAL A 70 -5.045 -16.623 -13.354 1.00 0.00 C ATOM 1129 C VAL A 70 -5.547 -18.059 -13.263 1.00 0.00 C ATOM 1130 O VAL A 70 -6.119 -18.588 -14.216 1.00 0.00 O ATOM 1131 CB VAL A 70 -6.018 -15.704 -12.609 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.463 -14.278 -12.582 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.375 -15.712 -13.318 1.00 0.00 C ATOM 0 H VAL A 70 -5.742 -16.398 -15.324 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.058 -16.561 -12.896 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.140 -16.062 -11.587 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.158 -13.627 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.499 -14.272 -12.073 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.336 -13.918 -13.603 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.067 -15.058 -12.787 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.253 -15.357 -14.341 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.773 -16.727 -13.331 1.00 0.00 H new ATOM 1143 N GLU A 71 -5.329 -18.687 -12.107 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.767 -20.070 -11.900 1.00 0.00 C ATOM 1145 C GLU A 71 -6.147 -20.297 -10.443 1.00 0.00 C ATOM 1146 O GLU A 71 -5.532 -19.734 -9.540 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.640 -21.036 -12.266 1.00 0.00 C ATOM 1148 CG GLU A 71 -5.192 -22.460 -12.340 1.00 0.00 C ATOM 1149 CD GLU A 71 -4.084 -23.423 -12.757 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -3.058 -22.948 -13.218 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.276 -24.618 -12.608 1.00 0.00 O ATOM 0 H GLU A 71 -4.857 -18.266 -11.307 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.634 -20.250 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.202 -20.754 -13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.844 -20.981 -11.523 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.596 -22.754 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.013 -22.505 -13.055 1.00 0.00 H new ATOM 1158 N ALA A 72 -7.146 -21.141 -10.216 1.00 0.00 N ATOM 1159 CA ALA A 72 -7.570 -21.440 -8.855 1.00 0.00 C ATOM 1160 C ALA A 72 -6.472 -22.210 -8.132 1.00 0.00 C ATOM 1161 O ALA A 72 -5.877 -23.130 -8.692 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.855 -22.269 -8.877 1.00 0.00 C ATOM 0 H ALA A 72 -7.671 -21.624 -10.945 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.761 -20.505 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.164 -22.488 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.641 -21.708 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.676 -23.203 -9.410 1.00 0.00 H new ATOM 1168 N VAL A 73 -6.199 -21.824 -6.888 1.00 0.00 N ATOM 1169 CA VAL A 73 -5.159 -22.482 -6.103 1.00 0.00 C ATOM 1170 C VAL A 73 -5.725 -23.706 -5.388 1.00 0.00 C ATOM 1171 O VAL A 73 -6.765 -23.630 -4.733 1.00 0.00 O ATOM 1172 CB VAL A 73 -4.593 -21.505 -5.071 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -3.481 -22.187 -4.270 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -4.024 -20.278 -5.791 1.00 0.00 C ATOM 0 H VAL A 73 -6.680 -21.065 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.365 -22.802 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.388 -21.195 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.080 -21.488 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.885 -23.060 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.685 -22.499 -4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.620 -19.580 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.231 -20.590 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.816 -19.789 -6.359 1.00 0.00 H new ATOM 1184 N SER A 74 -5.035 -24.834 -5.518 1.00 0.00 N ATOM 1185 CA SER A 74 -5.474 -26.072 -4.882 1.00 0.00 C ATOM 1186 C SER A 74 -4.286 -26.992 -4.623 1.00 0.00 C ATOM 1187 O SER A 74 -4.260 -27.726 -3.636 1.00 0.00 O ATOM 1188 CB SER A 74 -6.493 -26.781 -5.773 1.00 0.00 C ATOM 1189 OG SER A 74 -6.951 -27.958 -5.122 1.00 0.00 O ATOM 0 H SER A 74 -4.172 -24.917 -6.056 1.00 0.00 H new ATOM 0 HA SER A 74 -5.939 -25.826 -3.927 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.332 -26.118 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.040 -27.035 -6.731 1.00 0.00 H new ATOM 0 HG SER A 74 -7.606 -28.413 -5.692 1.00 0.00 H new ATOM 1195 N SER A 75 -3.301 -26.944 -5.515 1.00 0.00 N ATOM 1196 CA SER A 75 -2.112 -27.775 -5.371 1.00 0.00 C ATOM 1197 C SER A 75 -1.170 -27.182 -4.334 1.00 0.00 C ATOM 1198 O SER A 75 -1.201 -25.981 -4.063 1.00 0.00 O ATOM 1199 CB SER A 75 -1.392 -27.894 -6.715 1.00 0.00 C ATOM 1200 OG SER A 75 -0.831 -26.635 -7.061 1.00 0.00 O ATOM 0 H SER A 75 -3.303 -26.343 -6.339 1.00 0.00 H new ATOM 0 HA SER A 75 -2.420 -28.766 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.609 -28.650 -6.655 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.090 -28.218 -7.487 1.00 0.00 H new ATOM 0 HG SER A 75 -0.367 -26.709 -7.921 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.335 -28.036 -3.755 1.00 0.00 N ATOM 1207 CA LEU A 76 0.618 -27.600 -2.740 1.00 0.00 C ATOM 1208 C LEU A 76 1.932 -27.178 -3.393 1.00 0.00 C ATOM 1209 O LEU A 76 2.855 -26.725 -2.715 1.00 0.00 O ATOM 1210 CB LEU A 76 0.870 -28.747 -1.753 1.00 0.00 C ATOM 1211 CG LEU A 76 -0.291 -28.839 -0.758 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -1.590 -29.156 -1.507 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -0.001 -29.949 0.256 1.00 0.00 C ATOM 0 H LEU A 76 -0.298 -29.032 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 76 0.205 -26.744 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.973 -29.688 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.806 -28.581 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.400 -27.887 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.414 -29.221 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.796 -28.366 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.486 -30.107 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.825 -30.018 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.108 -30.899 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.921 -29.721 0.791 1.00 0.00 H new ATOM 1225 N GLU A 77 2.006 -27.328 -4.710 1.00 0.00 N ATOM 1226 CA GLU A 77 3.211 -26.957 -5.444 1.00 0.00 C ATOM 1227 C GLU A 77 3.529 -25.482 -5.235 1.00 0.00 C ATOM 1228 O GLU A 77 2.629 -24.661 -5.062 1.00 0.00 O ATOM 1229 CB GLU A 77 3.025 -27.232 -6.936 1.00 0.00 C ATOM 1230 CG GLU A 77 2.946 -28.742 -7.174 1.00 0.00 C ATOM 1231 CD GLU A 77 2.676 -29.023 -8.647 1.00 0.00 C ATOM 1232 OE1 GLU A 77 2.588 -28.071 -9.405 1.00 0.00 O ATOM 1233 OE2 GLU A 77 2.561 -30.186 -8.997 1.00 0.00 O ATOM 0 H GLU A 77 1.253 -27.701 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 77 4.040 -27.556 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.116 -26.749 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.855 -26.808 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.879 -29.216 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.155 -29.174 -6.562 1.00 0.00 H new ATOM 1240 N HIS A 78 4.816 -25.154 -5.251 1.00 0.00 N ATOM 1241 CA HIS A 78 5.251 -23.772 -5.062 1.00 0.00 C ATOM 1242 C HIS A 78 6.564 -23.524 -5.793 1.00 0.00 C ATOM 1243 O HIS A 78 7.305 -24.460 -6.096 1.00 0.00 O ATOM 1244 CB HIS A 78 5.431 -23.485 -3.570 1.00 0.00 C ATOM 1245 CG HIS A 78 6.420 -24.458 -2.987 1.00 0.00 C ATOM 1246 ND1 HIS A 78 6.117 -25.797 -2.801 1.00 0.00 N ATOM 1247 CD2 HIS A 78 7.708 -24.298 -2.539 1.00 0.00 C ATOM 1248 CE1 HIS A 78 7.201 -26.388 -2.264 1.00 0.00 C ATOM 1249 NE2 HIS A 78 8.199 -25.519 -2.083 1.00 0.00 N ATOM 0 H HIS A 78 5.574 -25.821 -5.392 1.00 0.00 H new ATOM 0 HA HIS A 78 4.490 -23.107 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.782 -22.463 -3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.474 -23.570 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.256 -23.368 -2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.257 -27.436 -2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.123 -25.709 -1.694 1.00 0.00 H new ATOM 1257 N HIS A 79 6.849 -22.254 -6.077 1.00 0.00 N ATOM 1258 CA HIS A 79 8.078 -21.881 -6.778 1.00 0.00 C ATOM 1259 C HIS A 79 9.075 -21.262 -5.804 1.00 0.00 C ATOM 1260 O HIS A 79 8.690 -20.697 -4.781 1.00 0.00 O ATOM 1261 CB HIS A 79 7.758 -20.879 -7.891 1.00 0.00 C ATOM 1262 CG HIS A 79 7.305 -19.576 -7.287 1.00 0.00 C ATOM 1263 ND1 HIS A 79 6.008 -19.380 -6.840 1.00 0.00 N ATOM 1264 CD2 HIS A 79 7.967 -18.398 -7.045 1.00 0.00 C ATOM 1265 CE1 HIS A 79 5.930 -18.127 -6.357 1.00 0.00 C ATOM 1266 NE2 HIS A 79 7.097 -17.484 -6.458 1.00 0.00 N ATOM 0 H HIS A 79 6.247 -21.467 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 79 8.518 -22.778 -7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.639 -20.716 -8.511 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.980 -21.279 -8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.005 -18.209 -7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.034 -17.694 -5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.305 -16.529 -6.167 1.00 0.00 H new ATOM 1274 N HIS A 80 10.361 -21.375 -6.130 1.00 0.00 N ATOM 1275 CA HIS A 80 11.419 -20.824 -5.280 1.00 0.00 C ATOM 1276 C HIS A 80 12.009 -19.570 -5.913 1.00 0.00 C ATOM 1277 O HIS A 80 12.488 -19.601 -7.047 1.00 0.00 O ATOM 1278 CB HIS A 80 12.522 -21.866 -5.088 1.00 0.00 C ATOM 1279 CG HIS A 80 11.957 -23.068 -4.383 1.00 0.00 C ATOM 1280 ND1 HIS A 80 11.657 -23.059 -3.029 1.00 0.00 N ATOM 1281 CD2 HIS A 80 11.628 -24.324 -4.831 1.00 0.00 C ATOM 1282 CE1 HIS A 80 11.171 -24.273 -2.713 1.00 0.00 C ATOM 1283 NE2 HIS A 80 11.132 -25.083 -3.774 1.00 0.00 N ATOM 0 H HIS A 80 10.697 -21.841 -6.973 1.00 0.00 H new ATOM 0 HA HIS A 80 10.990 -20.563 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.934 -22.158 -6.054 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.341 -21.442 -4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.737 -24.670 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.851 -24.558 -1.722 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.808 -26.050 -3.804 1.00 0.00 H new ATOM 1291 N HIS A 81 11.972 -18.465 -5.174 1.00 0.00 N ATOM 1292 CA HIS A 81 12.507 -17.201 -5.671 1.00 0.00 C ATOM 1293 C HIS A 81 14.003 -17.112 -5.397 1.00 0.00 C ATOM 1294 O HIS A 81 14.447 -17.280 -4.261 1.00 0.00 O ATOM 1295 CB HIS A 81 11.791 -16.032 -4.992 1.00 0.00 C ATOM 1296 CG HIS A 81 12.228 -14.741 -5.628 1.00 0.00 C ATOM 1297 ND1 HIS A 81 13.311 -14.016 -5.158 1.00 0.00 N ATOM 1298 CD2 HIS A 81 11.739 -14.034 -6.698 1.00 0.00 C ATOM 1299 CE1 HIS A 81 13.439 -12.926 -5.936 1.00 0.00 C ATOM 1300 NE2 HIS A 81 12.505 -12.888 -6.891 1.00 0.00 N ATOM 0 H HIS A 81 11.579 -18.419 -4.234 1.00 0.00 H new ATOM 0 HA HIS A 81 12.342 -17.153 -6.747 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.711 -16.149 -5.085 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.020 -16.021 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.889 -14.323 -7.299 1.00 0.00 H new ATOM 0 HE1 HIS A 81 14.203 -12.174 -5.805 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.380 -12.173 -7.607 1.00 0.00 H new ATOM 1308 N HIS A 82 14.776 -16.847 -6.444 1.00 0.00 N ATOM 1309 CA HIS A 82 16.223 -16.742 -6.303 1.00 0.00 C ATOM 1310 C HIS A 82 16.600 -15.435 -5.607 1.00 0.00 C ATOM 1311 O HIS A 82 16.143 -15.160 -4.497 1.00 0.00 O ATOM 1312 CB HIS A 82 16.886 -16.811 -7.681 1.00 0.00 C ATOM 1313 CG HIS A 82 18.373 -16.951 -7.514 1.00 0.00 C ATOM 1314 ND1 HIS A 82 19.427 -16.550 -8.297 1.00 0.00 N flip ATOM 1315 CD2 HIS A 82 18.936 -17.589 -6.420 1.00 0.00 C flip ATOM 1316 CE1 HIS A 82 20.625 -16.929 -7.699 1.00 0.00 C flip ATOM 1317 NE2 HIS A 82 20.272 -17.551 -6.571 1.00 0.00 N flip ATOM 0 H HIS A 82 14.429 -16.702 -7.392 1.00 0.00 H new ATOM 0 HA HIS A 82 16.575 -17.574 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 82 16.491 -17.656 -8.245 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.656 -15.912 -8.253 1.00 0.00 H new ATOM 0 HD2 HIS A 82 18.399 -18.036 -5.596 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.625 -16.757 -8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.935 -17.949 -5.905 1.00 0.00 H new ATOM 1325 N HIS A 83 17.434 -14.632 -6.264 1.00 0.00 N ATOM 1326 CA HIS A 83 17.863 -13.358 -5.696 1.00 0.00 C ATOM 1327 C HIS A 83 16.829 -12.273 -5.975 1.00 0.00 C ATOM 1328 O HIS A 83 16.464 -12.113 -7.128 1.00 0.00 O ATOM 1329 CB HIS A 83 19.210 -12.947 -6.295 1.00 0.00 C ATOM 1330 CG HIS A 83 19.045 -12.685 -7.767 1.00 0.00 C ATOM 1331 ND1 HIS A 83 19.250 -13.668 -8.721 1.00 0.00 N ATOM 1332 CD2 HIS A 83 18.694 -11.555 -8.463 1.00 0.00 C ATOM 1333 CE1 HIS A 83 19.024 -13.118 -9.927 1.00 0.00 C ATOM 1334 NE2 HIS A 83 18.682 -11.830 -9.827 1.00 0.00 N ATOM 1335 OXT HIS A 83 16.417 -11.618 -5.032 1.00 0.00 O ATOM 0 H HIS A 83 17.823 -14.840 -7.184 1.00 0.00 H new ATOM 0 HA HIS A 83 17.966 -13.478 -4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 83 19.585 -12.054 -5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 83 19.947 -13.734 -6.135 1.00 0.00 H new ATOM 0 HD1 HIS A 83 19.523 -14.634 -8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 83 18.462 -10.598 -8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 83 19.109 -13.652 -10.862 1.00 0.00 H new TER 1343 HIS A 83