USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.379) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 58:sc= 0.0105 USER MOD Single : A -1 GLY N :NH3+ -114:sc= 0.0868 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= -0.496 (180deg=-0.607) USER MOD Single : A 16 MET CE :methyl -147:sc= -0.571 (180deg=-2.21) USER MOD Single : A 17 TYR OH : rot 25:sc= 0.168 USER MOD Single : A 21 TYR OH : rot 76:sc= 0.054 USER MOD Single : A 25 GLN : amide:sc= 0.109 K(o=0.11,f=-7!) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.12) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.803 F(o=-3.8,f=-0.8) USER MOD Single : A 36 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.35) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.11) USER MOD Single : A 45 TYR OH : rot 62:sc= 0.0766 USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.0302 (180deg=-1.07) USER MOD Single : A 48 ASN : amide:sc= 0.357 K(o=0.36,f=-4.3!) USER MOD Single : A 53 SER OG : rot -80:sc= 0.914 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0065) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.244) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -14.440 -43.366 23.175 1.00 0.00 N ATOM 2 CA GLY A -1 -14.776 -42.869 21.830 1.00 0.00 C ATOM 3 C GLY A -1 -13.532 -42.657 20.971 1.00 0.00 C ATOM 4 O GLY A -1 -12.419 -42.651 21.494 1.00 0.00 O ATOM 0 H1 GLY A -1 -14.809 -44.331 23.291 1.00 0.00 H new ATOM 0 H2 GLY A -1 -13.407 -43.374 23.294 1.00 0.00 H new ATOM 0 H3 GLY A -1 -14.867 -42.744 23.891 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -15.440 -43.579 21.337 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -15.321 -41.929 21.917 1.00 0.00 H new ATOM 10 N SER A 0 -13.729 -42.499 19.656 1.00 0.00 N ATOM 11 CA SER A 0 -12.656 -42.368 18.679 1.00 0.00 C ATOM 12 C SER A 0 -13.102 -41.391 17.591 1.00 0.00 C ATOM 13 O SER A 0 -13.899 -41.745 16.724 1.00 0.00 O ATOM 14 CB SER A 0 -12.317 -43.746 18.097 1.00 0.00 C ATOM 15 OG SER A 0 -11.913 -44.625 19.126 1.00 0.00 O ATOM 0 H SER A 0 -14.659 -42.459 19.240 1.00 0.00 H new ATOM 0 HA SER A 0 -11.754 -41.977 19.149 1.00 0.00 H new ATOM 0 HB2 SER A 0 -13.186 -44.154 17.580 1.00 0.00 H new ATOM 0 HB3 SER A 0 -11.522 -43.651 17.357 1.00 0.00 H new ATOM 0 HG SER A 0 -11.701 -45.502 18.743 1.00 0.00 H new ATOM 21 N MET A 1 -12.597 -40.155 17.654 1.00 0.00 N ATOM 22 CA MET A 1 -13.043 -39.045 16.824 1.00 0.00 C ATOM 23 C MET A 1 -12.207 -38.992 15.542 1.00 0.00 C ATOM 24 O MET A 1 -11.530 -38.000 15.271 1.00 0.00 O ATOM 25 CB MET A 1 -12.984 -37.734 17.628 1.00 0.00 C ATOM 26 CG MET A 1 -13.862 -37.764 18.889 1.00 0.00 C ATOM 27 SD MET A 1 -13.164 -38.625 20.331 1.00 0.00 S ATOM 28 CE MET A 1 -14.631 -38.704 21.389 1.00 0.00 C ATOM 0 H MET A 1 -11.850 -39.899 18.300 1.00 0.00 H new ATOM 0 HA MET A 1 -14.082 -39.190 16.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.951 -37.536 17.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.301 -36.909 16.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.083 -36.736 19.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.811 -38.235 18.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.379 -39.206 22.323 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.980 -37.694 21.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.418 -39.260 20.879 1.00 0.00 H new ATOM 38 N LYS A 2 -12.261 -40.076 14.759 1.00 0.00 N ATOM 39 CA LYS A 2 -11.552 -40.216 13.493 1.00 0.00 C ATOM 40 C LYS A 2 -12.469 -39.801 12.334 1.00 0.00 C ATOM 41 O LYS A 2 -13.573 -39.309 12.564 1.00 0.00 O ATOM 42 CB LYS A 2 -11.064 -41.664 13.340 1.00 0.00 C ATOM 43 CG LYS A 2 -10.245 -42.134 14.550 1.00 0.00 C ATOM 44 CD LYS A 2 -9.519 -43.458 14.281 1.00 0.00 C ATOM 45 CE LYS A 2 -10.474 -44.577 13.849 1.00 0.00 C ATOM 46 NZ LYS A 2 -9.767 -45.843 13.796 1.00 0.00 N ATOM 0 H LYS A 2 -12.815 -40.898 14.999 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.681 -39.561 13.477 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.923 -42.322 13.208 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.457 -41.747 12.439 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.515 -41.368 14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.905 -42.252 15.409 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.769 -43.306 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.988 -43.766 15.181 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.307 -44.646 14.549 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.898 -44.347 12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.423 -46.595 13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.987 -45.777 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.384 -46.066 14.737 1.00 0.00 H new ATOM 59 N LYS A 3 -12.006 -40.005 11.093 1.00 0.00 N ATOM 60 CA LYS A 3 -12.698 -39.632 9.862 1.00 0.00 C ATOM 61 C LYS A 3 -12.984 -38.127 9.855 1.00 0.00 C ATOM 62 O LYS A 3 -14.117 -37.703 10.081 1.00 0.00 O ATOM 63 CB LYS A 3 -13.969 -40.471 9.629 1.00 0.00 C ATOM 64 CG LYS A 3 -13.704 -41.923 9.196 1.00 0.00 C ATOM 65 CD LYS A 3 -13.228 -42.884 10.294 1.00 0.00 C ATOM 66 CE LYS A 3 -14.262 -43.047 11.416 1.00 0.00 C ATOM 67 NZ LYS A 3 -13.873 -44.131 12.297 1.00 0.00 N ATOM 0 H LYS A 3 -11.106 -40.451 10.918 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.040 -39.855 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.556 -40.480 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.577 -39.983 8.867 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.621 -42.324 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.956 -41.912 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.017 -43.858 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.293 -42.515 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.345 -42.119 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.244 -43.249 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.684 -44.765 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.091 -44.665 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.564 -43.742 13.211 1.00 0.00 H new ATOM 80 N TRP A 4 -11.942 -37.330 9.588 1.00 0.00 N ATOM 81 CA TRP A 4 -11.990 -35.885 9.487 1.00 0.00 C ATOM 82 C TRP A 4 -11.635 -35.469 8.061 1.00 0.00 C ATOM 83 O TRP A 4 -11.001 -36.222 7.322 1.00 0.00 O ATOM 84 CB TRP A 4 -11.014 -35.269 10.497 1.00 0.00 C ATOM 85 CG TRP A 4 -11.203 -33.802 10.720 1.00 0.00 C ATOM 86 CD1 TRP A 4 -10.392 -32.811 10.289 1.00 0.00 C ATOM 87 CD2 TRP A 4 -12.315 -33.146 11.390 1.00 0.00 C ATOM 88 NE1 TRP A 4 -10.921 -31.586 10.645 1.00 0.00 N ATOM 89 CE2 TRP A 4 -12.114 -31.736 11.327 1.00 0.00 C ATOM 90 CE3 TRP A 4 -13.481 -33.605 12.037 1.00 0.00 C ATOM 91 CZ2 TRP A 4 -13.026 -30.826 11.884 1.00 0.00 C ATOM 92 CZ3 TRP A 4 -14.403 -32.702 12.593 1.00 0.00 C ATOM 93 CH2 TRP A 4 -14.178 -31.316 12.521 1.00 0.00 C ATOM 0 H TRP A 4 -11.005 -37.702 9.431 1.00 0.00 H new ATOM 0 HA TRP A 4 -12.993 -35.526 9.716 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -11.122 -35.786 11.450 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -9.995 -35.444 10.153 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.469 -32.955 9.747 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.488 -30.687 10.432 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.668 -34.666 12.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.844 -29.763 11.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -15.292 -33.076 13.080 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -14.890 -30.629 12.955 1.00 0.00 H new ATOM 104 N SER A 5 -12.052 -34.255 7.694 1.00 0.00 N ATOM 105 CA SER A 5 -11.838 -33.649 6.386 1.00 0.00 C ATOM 106 C SER A 5 -11.172 -32.284 6.556 1.00 0.00 C ATOM 107 O SER A 5 -11.517 -31.538 7.472 1.00 0.00 O ATOM 108 CB SER A 5 -13.182 -33.508 5.664 1.00 0.00 C ATOM 109 OG SER A 5 -13.805 -34.769 5.541 1.00 0.00 O ATOM 0 H SER A 5 -12.568 -33.646 8.329 1.00 0.00 H new ATOM 0 HA SER A 5 -11.183 -34.283 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.830 -32.827 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.029 -33.072 4.677 1.00 0.00 H new ATOM 0 HG SER A 5 -14.664 -34.666 5.080 1.00 0.00 H new ATOM 115 N ASP A 6 -10.221 -31.957 5.670 1.00 0.00 N ATOM 116 CA ASP A 6 -9.521 -30.683 5.648 1.00 0.00 C ATOM 117 C ASP A 6 -8.846 -30.503 4.282 1.00 0.00 C ATOM 118 O ASP A 6 -8.986 -31.366 3.416 1.00 0.00 O ATOM 119 CB ASP A 6 -8.510 -30.613 6.809 1.00 0.00 C ATOM 120 CG ASP A 6 -8.317 -29.180 7.298 1.00 0.00 C ATOM 121 OD1 ASP A 6 -7.460 -28.472 6.776 1.00 0.00 O ATOM 122 OD2 ASP A 6 -9.143 -28.782 8.308 1.00 0.00 O ATOM 0 H ASP A 6 -9.916 -32.593 4.934 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.226 -29.864 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.857 -31.236 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.552 -31.020 6.484 1.00 0.00 H new ATOM 128 N THR A 7 -8.122 -29.389 4.103 1.00 0.00 N ATOM 129 CA THR A 7 -7.346 -29.041 2.911 1.00 0.00 C ATOM 130 C THR A 7 -8.096 -29.326 1.602 1.00 0.00 C ATOM 131 O THR A 7 -7.567 -29.984 0.708 1.00 0.00 O ATOM 132 CB THR A 7 -5.952 -29.697 2.961 1.00 0.00 C ATOM 133 OG1 THR A 7 -6.048 -31.105 3.014 1.00 0.00 O ATOM 134 CG2 THR A 7 -5.150 -29.215 4.174 1.00 0.00 C ATOM 0 H THR A 7 -8.061 -28.671 4.825 1.00 0.00 H new ATOM 0 HA THR A 7 -7.201 -27.961 2.919 1.00 0.00 H new ATOM 0 HB THR A 7 -5.437 -29.402 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.549 -31.428 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.172 -29.697 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.021 -28.134 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.685 -29.470 5.089 1.00 0.00 H new ATOM 142 N GLU A 8 -9.331 -28.817 1.494 1.00 0.00 N ATOM 143 CA GLU A 8 -10.215 -29.033 0.357 1.00 0.00 C ATOM 144 C GLU A 8 -10.502 -27.686 -0.309 1.00 0.00 C ATOM 145 O GLU A 8 -11.579 -27.118 -0.144 1.00 0.00 O ATOM 146 CB GLU A 8 -11.477 -29.760 0.844 1.00 0.00 C ATOM 147 CG GLU A 8 -12.375 -30.198 -0.320 1.00 0.00 C ATOM 148 CD GLU A 8 -13.559 -31.024 0.175 1.00 0.00 C ATOM 149 OE1 GLU A 8 -14.695 -30.563 0.093 1.00 0.00 O ATOM 150 OE2 GLU A 8 -13.258 -32.254 0.683 1.00 0.00 O ATOM 0 H GLU A 8 -9.747 -28.230 2.217 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.755 -29.668 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.189 -30.634 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.039 -29.104 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.739 -29.319 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.792 -30.783 -1.032 1.00 0.00 H new ATOM 158 N VAL A 9 -9.515 -27.178 -1.057 1.00 0.00 N ATOM 159 CA VAL A 9 -9.596 -25.923 -1.790 1.00 0.00 C ATOM 160 C VAL A 9 -8.481 -25.896 -2.839 1.00 0.00 C ATOM 161 O VAL A 9 -7.387 -26.396 -2.585 1.00 0.00 O ATOM 162 CB VAL A 9 -9.520 -24.726 -0.818 1.00 0.00 C ATOM 163 CG1 VAL A 9 -8.186 -24.655 -0.062 1.00 0.00 C ATOM 164 CG2 VAL A 9 -9.760 -23.408 -1.559 1.00 0.00 C ATOM 0 H VAL A 9 -8.616 -27.647 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.553 -25.843 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.307 -24.882 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.192 -23.794 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.050 -25.566 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.368 -24.555 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.702 -22.579 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.002 -23.282 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.748 -23.424 -2.019 1.00 0.00 H new ATOM 174 N PHE A 10 -8.758 -25.319 -4.016 1.00 0.00 N ATOM 175 CA PHE A 10 -7.778 -25.193 -5.087 1.00 0.00 C ATOM 176 C PHE A 10 -6.799 -24.060 -4.769 1.00 0.00 C ATOM 177 O PHE A 10 -5.592 -24.288 -4.721 1.00 0.00 O ATOM 178 CB PHE A 10 -8.482 -24.964 -6.433 1.00 0.00 C ATOM 179 CG PHE A 10 -9.572 -25.970 -6.762 1.00 0.00 C ATOM 180 CD1 PHE A 10 -9.279 -27.345 -6.795 1.00 0.00 C ATOM 181 CD2 PHE A 10 -10.883 -25.530 -7.035 1.00 0.00 C ATOM 182 CE1 PHE A 10 -10.296 -28.278 -7.066 1.00 0.00 C ATOM 183 CE2 PHE A 10 -11.897 -26.462 -7.315 1.00 0.00 C ATOM 184 CZ PHE A 10 -11.605 -27.837 -7.322 1.00 0.00 C ATOM 0 H PHE A 10 -9.671 -24.928 -4.246 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.210 -26.120 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.917 -23.965 -6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.735 -24.987 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.271 -27.685 -6.612 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.109 -24.474 -7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.070 -29.334 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.900 -26.122 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.387 -28.554 -7.524 1.00 0.00 H new ATOM 194 N GLU A 11 -7.330 -22.850 -4.549 1.00 0.00 N ATOM 195 CA GLU A 11 -6.573 -21.653 -4.210 1.00 0.00 C ATOM 196 C GLU A 11 -7.013 -21.152 -2.835 1.00 0.00 C ATOM 197 O GLU A 11 -8.181 -20.821 -2.639 1.00 0.00 O ATOM 198 CB GLU A 11 -6.684 -20.593 -5.319 1.00 0.00 C ATOM 199 CG GLU A 11 -8.059 -19.952 -5.561 1.00 0.00 C ATOM 200 CD GLU A 11 -9.120 -20.936 -6.049 1.00 0.00 C ATOM 201 OE1 GLU A 11 -9.212 -21.176 -7.250 1.00 0.00 O ATOM 202 OE2 GLU A 11 -9.917 -21.489 -5.088 1.00 0.00 O ATOM 0 H GLU A 11 -8.334 -22.679 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.511 -21.888 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.978 -19.795 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.358 -21.050 -6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.403 -19.491 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.953 -19.153 -6.295 1.00 0.00 H new ATOM 210 N MET A 12 -6.087 -21.128 -1.869 1.00 0.00 N ATOM 211 CA MET A 12 -6.387 -20.728 -0.502 1.00 0.00 C ATOM 212 C MET A 12 -6.765 -19.248 -0.455 1.00 0.00 C ATOM 213 O MET A 12 -7.877 -18.914 -0.050 1.00 0.00 O ATOM 214 CB MET A 12 -5.201 -21.040 0.421 1.00 0.00 C ATOM 215 CG MET A 12 -5.037 -22.552 0.605 1.00 0.00 C ATOM 216 SD MET A 12 -3.699 -23.037 1.723 1.00 0.00 S ATOM 217 CE MET A 12 -3.980 -24.825 1.761 1.00 0.00 C ATOM 0 H MET A 12 -5.112 -21.386 -2.020 1.00 0.00 H new ATOM 0 HA MET A 12 -7.242 -21.301 -0.143 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.287 -20.619 0.001 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.354 -20.566 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.974 -22.962 0.982 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.860 -23.006 -0.370 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.240 -25.296 2.408 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.980 -25.028 2.145 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.889 -25.229 0.753 1.00 0.00 H new ATOM 227 N LEU A 13 -5.848 -18.369 -0.878 1.00 0.00 N ATOM 228 CA LEU A 13 -6.042 -16.928 -0.856 1.00 0.00 C ATOM 229 C LEU A 13 -5.480 -16.288 -2.124 1.00 0.00 C ATOM 230 O LEU A 13 -4.509 -16.781 -2.697 1.00 0.00 O ATOM 231 CB LEU A 13 -5.443 -16.347 0.429 1.00 0.00 C ATOM 232 CG LEU A 13 -3.916 -16.470 0.545 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.251 -15.141 0.166 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.544 -16.825 1.987 1.00 0.00 C ATOM 0 H LEU A 13 -4.940 -18.651 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.107 -16.698 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.714 -15.293 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.899 -16.847 1.283 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.569 -17.251 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.169 -15.238 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.512 -14.883 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.599 -14.356 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.461 -16.913 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.898 -16.042 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.008 -17.773 2.259 1.00 0.00 H new ATOM 246 N LYS A 14 -6.137 -15.210 -2.572 1.00 0.00 N ATOM 247 CA LYS A 14 -5.937 -14.594 -3.882 1.00 0.00 C ATOM 248 C LYS A 14 -5.619 -13.104 -3.763 1.00 0.00 C ATOM 249 O LYS A 14 -5.834 -12.503 -2.712 1.00 0.00 O ATOM 250 CB LYS A 14 -7.178 -14.825 -4.750 1.00 0.00 C ATOM 251 CG LYS A 14 -8.421 -14.140 -4.182 1.00 0.00 C ATOM 252 CD LYS A 14 -8.681 -12.758 -4.785 1.00 0.00 C ATOM 253 CE LYS A 14 -9.627 -11.951 -3.896 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.891 -12.648 -3.751 1.00 0.00 N ATOM 0 H LYS A 14 -6.843 -14.731 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.076 -15.063 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.989 -14.452 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.364 -15.896 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.289 -14.775 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.312 -14.042 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.738 -12.223 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.112 -12.865 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.174 -11.795 -2.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.794 -10.965 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.670 -12.014 -4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.898 -13.486 -4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.012 -12.945 -2.762 1.00 0.00 H new ATOM 267 N ARG A 15 -5.144 -12.513 -4.870 1.00 0.00 N ATOM 268 CA ARG A 15 -4.779 -11.099 -4.940 1.00 0.00 C ATOM 269 C ARG A 15 -5.924 -10.245 -5.474 1.00 0.00 C ATOM 270 O ARG A 15 -6.428 -10.468 -6.575 1.00 0.00 O ATOM 271 CB ARG A 15 -3.466 -10.851 -5.704 1.00 0.00 C ATOM 272 CG ARG A 15 -3.592 -10.805 -7.229 1.00 0.00 C ATOM 273 CD ARG A 15 -2.224 -10.648 -7.901 1.00 0.00 C ATOM 274 NE ARG A 15 -2.278 -11.110 -9.293 1.00 0.00 N ATOM 275 CZ ARG A 15 -2.829 -10.446 -10.324 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.287 -9.194 -10.180 1.00 0.00 N ATOM 277 NH2 ARG A 15 -2.930 -11.056 -11.513 1.00 0.00 N ATOM 0 H ARG A 15 -5.003 -13.013 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.590 -10.783 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.040 -9.908 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.757 -11.635 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.070 -11.718 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.237 -9.975 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.915 -9.603 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.475 -11.218 -7.351 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.859 -12.018 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.221 -8.728 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.702 -8.708 -10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.591 -12.011 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.346 -10.565 -12.304 1.00 0.00 H new ATOM 291 N MET A 16 -6.298 -9.236 -4.691 1.00 0.00 N ATOM 292 CA MET A 16 -7.058 -8.093 -5.153 1.00 0.00 C ATOM 293 C MET A 16 -6.072 -7.022 -5.598 1.00 0.00 C ATOM 294 O MET A 16 -4.944 -6.962 -5.110 1.00 0.00 O ATOM 295 CB MET A 16 -7.964 -7.616 -4.021 1.00 0.00 C ATOM 296 CG MET A 16 -9.010 -6.568 -4.426 1.00 0.00 C ATOM 297 SD MET A 16 -8.528 -4.814 -4.427 1.00 0.00 S ATOM 298 CE MET A 16 -7.576 -4.650 -2.890 1.00 0.00 C ATOM 0 H MET A 16 -6.073 -9.196 -3.697 1.00 0.00 H new ATOM 0 HA MET A 16 -7.696 -8.343 -6.000 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.480 -8.479 -3.601 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.342 -7.199 -3.229 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.357 -6.817 -5.429 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.864 -6.677 -3.757 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.725 -3.653 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.914 -5.397 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.517 -4.801 -3.100 1.00 0.00 H new ATOM 308 N TYR A 17 -6.512 -6.197 -6.542 1.00 0.00 N ATOM 309 CA TYR A 17 -5.719 -5.140 -7.144 1.00 0.00 C ATOM 310 C TYR A 17 -6.561 -3.873 -7.231 1.00 0.00 C ATOM 311 O TYR A 17 -7.411 -3.765 -8.109 1.00 0.00 O ATOM 312 CB TYR A 17 -5.221 -5.604 -8.517 1.00 0.00 C ATOM 313 CG TYR A 17 -4.458 -4.547 -9.291 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.095 -4.327 -9.028 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.115 -3.771 -10.267 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.384 -3.361 -9.757 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.410 -2.787 -10.978 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.041 -2.593 -10.736 1.00 0.00 C ATOM 319 OH TYR A 17 -2.353 -1.662 -11.456 1.00 0.00 O ATOM 0 H TYR A 17 -7.459 -6.250 -6.918 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.844 -4.915 -6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.579 -6.475 -8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.076 -5.927 -9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.594 -4.902 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.163 -3.934 -10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.332 -3.207 -9.566 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.921 -2.180 -11.711 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.404 -1.903 -11.480 1.00 0.00 H new ATOM 329 N ALA A 18 -6.326 -2.921 -6.324 1.00 0.00 N ATOM 330 CA ALA A 18 -7.054 -1.666 -6.287 1.00 0.00 C ATOM 331 C ALA A 18 -6.200 -0.539 -6.838 1.00 0.00 C ATOM 332 O ALA A 18 -5.291 -0.049 -6.173 1.00 0.00 O ATOM 333 CB ALA A 18 -7.524 -1.341 -4.879 1.00 0.00 C ATOM 0 H ALA A 18 -5.619 -3.007 -5.594 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.937 -1.773 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.066 -0.395 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.182 -2.134 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.662 -1.261 -4.217 1.00 0.00 H new ATOM 339 N ARG A 19 -6.546 -0.108 -8.050 1.00 0.00 N ATOM 340 CA ARG A 19 -5.958 1.051 -8.682 1.00 0.00 C ATOM 341 C ARG A 19 -6.745 2.269 -8.195 1.00 0.00 C ATOM 342 O ARG A 19 -7.831 2.557 -8.696 1.00 0.00 O ATOM 343 CB ARG A 19 -5.962 0.882 -10.210 1.00 0.00 C ATOM 344 CG ARG A 19 -4.764 1.549 -10.907 1.00 0.00 C ATOM 345 CD ARG A 19 -4.399 2.916 -10.320 1.00 0.00 C ATOM 346 NE ARG A 19 -3.628 3.724 -11.272 1.00 0.00 N ATOM 347 CZ ARG A 19 -2.292 3.879 -11.297 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.501 3.223 -10.439 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.740 4.708 -12.193 1.00 0.00 N ATOM 0 H ARG A 19 -7.255 -0.568 -8.622 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.910 1.182 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.965 -0.181 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.885 1.302 -10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.899 0.889 -10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.990 1.666 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.309 3.448 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.820 2.778 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.160 4.219 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.909 2.592 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.490 3.355 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.332 5.216 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.728 4.831 -12.218 1.00 0.00 H new ATOM 363 N VAL A 20 -6.204 2.958 -7.186 1.00 0.00 N ATOM 364 CA VAL A 20 -6.831 4.129 -6.595 1.00 0.00 C ATOM 365 C VAL A 20 -6.481 5.325 -7.476 1.00 0.00 C ATOM 366 O VAL A 20 -5.342 5.781 -7.439 1.00 0.00 O ATOM 367 CB VAL A 20 -6.362 4.310 -5.138 1.00 0.00 C ATOM 368 CG1 VAL A 20 -7.135 5.451 -4.468 1.00 0.00 C ATOM 369 CG2 VAL A 20 -6.557 3.034 -4.308 1.00 0.00 C ATOM 0 H VAL A 20 -5.312 2.712 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.915 4.022 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.298 4.542 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.793 5.567 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.962 6.378 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.200 5.221 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.213 3.207 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.614 2.767 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.983 2.220 -4.751 1.00 0.00 H new ATOM 379 N TYR A 21 -7.431 5.805 -8.291 1.00 0.00 N ATOM 380 CA TYR A 21 -7.164 6.897 -9.233 1.00 0.00 C ATOM 381 C TYR A 21 -7.110 8.229 -8.479 1.00 0.00 C ATOM 382 O TYR A 21 -7.787 8.395 -7.464 1.00 0.00 O ATOM 383 CB TYR A 21 -8.241 7.014 -10.333 1.00 0.00 C ATOM 384 CG TYR A 21 -8.414 5.915 -11.370 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.768 4.673 -11.264 1.00 0.00 C ATOM 386 CD2 TYR A 21 -9.264 6.155 -12.468 1.00 0.00 C ATOM 387 CE1 TYR A 21 -7.944 3.693 -12.257 1.00 0.00 C ATOM 388 CE2 TYR A 21 -9.467 5.166 -13.444 1.00 0.00 C ATOM 389 CZ TYR A 21 -8.797 3.936 -13.346 1.00 0.00 C ATOM 390 OH TYR A 21 -8.972 2.978 -14.300 1.00 0.00 O ATOM 0 H TYR A 21 -8.388 5.454 -8.316 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.210 6.670 -9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.201 7.135 -9.831 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.046 7.939 -10.875 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.132 4.469 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.764 7.108 -12.560 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.422 2.751 -12.182 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.138 5.351 -14.270 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.557 2.273 -13.952 1.00 0.00 H new ATOM 400 N GLY A 22 -6.365 9.197 -9.030 1.00 0.00 N ATOM 401 CA GLY A 22 -6.485 10.607 -8.683 1.00 0.00 C ATOM 402 C GLY A 22 -5.186 11.188 -8.145 1.00 0.00 C ATOM 403 O GLY A 22 -4.103 10.673 -8.416 1.00 0.00 O ATOM 0 H GLY A 22 -5.654 9.013 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.793 11.170 -9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.270 10.728 -7.937 1.00 0.00 H new ATOM 407 N LEU A 23 -5.317 12.261 -7.353 1.00 0.00 N ATOM 408 CA LEU A 23 -4.196 12.983 -6.759 1.00 0.00 C ATOM 409 C LEU A 23 -3.771 12.327 -5.438 1.00 0.00 C ATOM 410 O LEU A 23 -3.262 12.993 -4.541 1.00 0.00 O ATOM 411 CB LEU A 23 -4.596 14.455 -6.589 1.00 0.00 C ATOM 412 CG LEU A 23 -3.410 15.429 -6.456 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.700 15.644 -7.799 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.922 16.777 -5.935 1.00 0.00 C ATOM 0 H LEU A 23 -6.225 12.655 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.325 12.940 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.202 14.755 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.226 14.547 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.692 14.996 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.869 16.337 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.321 14.690 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.404 16.058 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.087 17.471 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.653 17.184 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.391 16.636 -4.961 1.00 0.00 H new ATOM 426 N VAL A 24 -3.994 11.014 -5.311 1.00 0.00 N ATOM 427 CA VAL A 24 -3.734 10.253 -4.095 1.00 0.00 C ATOM 428 C VAL A 24 -2.242 9.989 -3.859 1.00 0.00 C ATOM 429 O VAL A 24 -1.867 9.568 -2.766 1.00 0.00 O ATOM 430 CB VAL A 24 -4.581 8.974 -4.097 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.072 9.330 -4.176 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.218 8.050 -5.263 1.00 0.00 C ATOM 0 H VAL A 24 -4.368 10.444 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.038 10.859 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.372 8.444 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.665 8.415 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.347 9.940 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.265 9.888 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.841 7.156 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.385 8.571 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.169 7.764 -5.188 1.00 0.00 H new ATOM 442 N GLN A 25 -1.387 10.289 -4.847 1.00 0.00 N ATOM 443 CA GLN A 25 0.048 10.431 -4.633 1.00 0.00 C ATOM 444 C GLN A 25 0.318 11.671 -3.773 1.00 0.00 C ATOM 445 O GLN A 25 -0.558 12.516 -3.589 1.00 0.00 O ATOM 446 CB GLN A 25 0.780 10.517 -5.981 1.00 0.00 C ATOM 447 CG GLN A 25 1.688 9.303 -6.211 1.00 0.00 C ATOM 448 CD GLN A 25 0.929 8.009 -6.510 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.155 7.774 -5.986 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.517 7.161 -7.355 1.00 0.00 N ATOM 0 H GLN A 25 -1.677 10.439 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 25 0.426 9.556 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.050 10.584 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.376 11.429 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.362 9.517 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.308 9.153 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.419 7.396 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.064 6.277 -7.588 1.00 0.00 H new ATOM 459 N GLY A 26 1.535 11.774 -3.228 1.00 0.00 N ATOM 460 CA GLY A 26 1.917 12.857 -2.338 1.00 0.00 C ATOM 461 C GLY A 26 1.401 12.586 -0.928 1.00 0.00 C ATOM 462 O GLY A 26 2.199 12.368 -0.017 1.00 0.00 O ATOM 0 H GLY A 26 2.282 11.100 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.002 12.960 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.513 13.800 -2.706 1.00 0.00 H new ATOM 466 N VAL A 27 0.073 12.576 -0.751 1.00 0.00 N ATOM 467 CA VAL A 27 -0.545 12.208 0.515 1.00 0.00 C ATOM 468 C VAL A 27 -0.252 10.734 0.817 1.00 0.00 C ATOM 469 O VAL A 27 -0.178 9.909 -0.094 1.00 0.00 O ATOM 470 CB VAL A 27 -2.047 12.550 0.545 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.261 14.059 0.379 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.882 11.820 -0.514 1.00 0.00 C ATOM 0 H VAL A 27 -0.594 12.823 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.105 12.804 1.315 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.394 12.209 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.328 14.280 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.763 14.589 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.845 14.383 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.926 12.118 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.516 12.079 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.798 10.743 -0.365 1.00 0.00 H new ATOM 482 N GLY A 28 -0.020 10.419 2.098 1.00 0.00 N ATOM 483 CA GLY A 28 0.575 9.159 2.519 1.00 0.00 C ATOM 484 C GLY A 28 -0.442 8.022 2.627 1.00 0.00 C ATOM 485 O GLY A 28 -0.492 7.342 3.652 1.00 0.00 O ATOM 0 H GLY A 28 -0.245 11.043 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.353 8.876 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.060 9.298 3.485 1.00 0.00 H new ATOM 489 N PHE A 29 -1.220 7.782 1.563 1.00 0.00 N ATOM 490 CA PHE A 29 -2.233 6.735 1.528 1.00 0.00 C ATOM 491 C PHE A 29 -1.618 5.412 1.069 1.00 0.00 C ATOM 492 O PHE A 29 -2.119 4.760 0.155 1.00 0.00 O ATOM 493 CB PHE A 29 -3.389 7.183 0.630 1.00 0.00 C ATOM 494 CG PHE A 29 -4.671 6.402 0.849 1.00 0.00 C ATOM 495 CD1 PHE A 29 -5.407 6.628 2.024 1.00 0.00 C ATOM 496 CD2 PHE A 29 -5.221 5.612 -0.178 1.00 0.00 C ATOM 497 CE1 PHE A 29 -6.706 6.115 2.153 1.00 0.00 C ATOM 498 CE2 PHE A 29 -6.515 5.079 -0.040 1.00 0.00 C ATOM 499 CZ PHE A 29 -7.262 5.340 1.122 1.00 0.00 C ATOM 0 H PHE A 29 -1.158 8.318 0.697 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.630 6.565 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.584 8.241 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.087 7.083 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.971 7.199 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.649 5.415 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.279 6.316 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.935 4.469 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.262 4.945 1.222 1.00 0.00 H new ATOM 509 N ARG A 30 -0.517 5.033 1.722 1.00 0.00 N ATOM 510 CA ARG A 30 0.245 3.824 1.457 1.00 0.00 C ATOM 511 C ARG A 30 0.510 3.153 2.801 1.00 0.00 C ATOM 512 O ARG A 30 0.179 1.985 2.993 1.00 0.00 O ATOM 513 CB ARG A 30 1.546 4.162 0.716 1.00 0.00 C ATOM 514 CG ARG A 30 1.297 4.997 -0.551 1.00 0.00 C ATOM 515 CD ARG A 30 1.608 6.490 -0.355 1.00 0.00 C ATOM 516 NE ARG A 30 2.971 6.820 -0.803 1.00 0.00 N ATOM 517 CZ ARG A 30 4.114 6.690 -0.106 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.114 6.429 1.207 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.283 6.820 -0.747 1.00 0.00 N ATOM 0 H ARG A 30 -0.121 5.588 2.481 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.308 3.143 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.210 4.710 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.057 3.238 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.910 4.607 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.256 4.885 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.886 7.089 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.496 6.751 0.697 1.00 0.00 H new ATOM 0 HE ARG A 30 3.059 7.189 -1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.231 6.323 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.997 6.336 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.297 7.015 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.159 6.724 -0.234 1.00 0.00 H new ATOM 533 N LYS A 31 1.065 3.927 3.745 1.00 0.00 N ATOM 534 CA LYS A 31 1.225 3.546 5.139 1.00 0.00 C ATOM 535 C LYS A 31 -0.077 2.965 5.694 1.00 0.00 C ATOM 536 O LYS A 31 -0.077 1.874 6.254 1.00 0.00 O ATOM 537 CB LYS A 31 1.643 4.784 5.945 1.00 0.00 C ATOM 538 CG LYS A 31 1.972 4.482 7.414 1.00 0.00 C ATOM 539 CD LYS A 31 3.299 3.723 7.567 1.00 0.00 C ATOM 540 CE LYS A 31 3.640 3.436 9.034 1.00 0.00 C ATOM 541 NZ LYS A 31 3.907 4.664 9.761 1.00 0.00 N ATOM 0 H LYS A 31 1.423 4.861 3.545 1.00 0.00 H new ATOM 0 HA LYS A 31 1.994 2.777 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.515 5.237 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.840 5.520 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.023 5.417 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.166 3.893 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.242 2.783 7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.102 4.306 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.813 2.904 9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.511 2.783 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.313 4.436 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.580 5.247 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.020 5.191 9.891 1.00 0.00 H new ATOM 554 N PHE A 32 -1.181 3.704 5.537 1.00 0.00 N ATOM 555 CA PHE A 32 -2.488 3.347 6.076 1.00 0.00 C ATOM 556 C PHE A 32 -2.918 1.947 5.622 1.00 0.00 C ATOM 557 O PHE A 32 -3.227 1.086 6.443 1.00 0.00 O ATOM 558 CB PHE A 32 -3.508 4.409 5.641 1.00 0.00 C ATOM 559 CG PHE A 32 -4.917 4.317 6.211 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.256 3.439 7.262 1.00 0.00 C ATOM 561 CD2 PHE A 32 -5.882 5.227 5.742 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.537 3.470 7.831 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.157 5.278 6.333 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.485 4.402 7.380 1.00 0.00 C ATOM 0 H PHE A 32 -1.186 4.584 5.021 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.432 3.320 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.105 5.387 5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.584 4.375 4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.523 2.737 7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.642 5.890 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.795 2.776 8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.886 5.993 5.981 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.463 4.445 7.837 1.00 0.00 H new ATOM 574 N VAL A 33 -2.927 1.715 4.305 1.00 0.00 N ATOM 575 CA VAL A 33 -3.300 0.422 3.754 1.00 0.00 C ATOM 576 C VAL A 33 -2.285 -0.663 4.133 1.00 0.00 C ATOM 577 O VAL A 33 -2.661 -1.830 4.216 1.00 0.00 O ATOM 578 CB VAL A 33 -3.597 0.529 2.246 1.00 0.00 C ATOM 579 CG1 VAL A 33 -2.381 0.967 1.428 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.164 -0.785 1.703 1.00 0.00 C ATOM 0 H VAL A 33 -2.678 2.413 3.604 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.236 0.098 4.209 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.349 1.311 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.653 1.024 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.046 1.946 1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.576 0.243 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.365 -0.682 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.441 -1.586 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.090 -1.025 2.225 1.00 0.00 H new ATOM 590 N GLN A 34 -1.037 -0.286 4.443 1.00 0.00 N ATOM 591 CA GLN A 34 -0.065 -1.197 5.017 1.00 0.00 C ATOM 592 C GLN A 34 -0.520 -1.615 6.420 1.00 0.00 C ATOM 593 O GLN A 34 -0.564 -2.810 6.688 1.00 0.00 O ATOM 594 CB GLN A 34 1.362 -0.641 4.845 1.00 0.00 C ATOM 595 CG GLN A 34 2.473 -1.648 5.188 1.00 0.00 C ATOM 596 CD GLN A 34 2.755 -1.816 6.676 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.070 -1.045 7.516 1.00 0.00 O flip ATOM 598 NE2 GLN A 34 3.576 -2.643 7.063 1.00 0.00 N flip ATOM 0 H GLN A 34 -0.683 0.660 4.299 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.011 -2.143 4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.490 -0.312 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.476 0.239 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.203 -2.619 4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.392 -1.334 4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.081 -3.215 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.753 -2.758 8.061 1.00 0.00 H new ATOM 607 N ILE A 35 -0.883 -0.679 7.310 1.00 0.00 N ATOM 608 CA ILE A 35 -1.336 -1.020 8.661 1.00 0.00 C ATOM 609 C ILE A 35 -2.452 -2.052 8.609 1.00 0.00 C ATOM 610 O ILE A 35 -2.356 -3.092 9.252 1.00 0.00 O ATOM 611 CB ILE A 35 -1.787 0.238 9.436 1.00 0.00 C ATOM 612 CG1 ILE A 35 -0.654 1.255 9.673 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.432 -0.137 10.781 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.481 0.746 10.567 1.00 0.00 C ATOM 0 H ILE A 35 -0.870 0.322 7.115 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.492 -1.454 9.197 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.525 0.722 8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.237 1.546 8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.078 2.154 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.739 0.770 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.304 -0.766 10.603 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.711 -0.680 11.391 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.234 1.526 10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.082 0.483 11.547 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.936 -0.134 10.112 1.00 0.00 H new ATOM 626 N HIS A 36 -3.503 -1.767 7.839 1.00 0.00 N ATOM 627 CA HIS A 36 -4.669 -2.631 7.776 1.00 0.00 C ATOM 628 C HIS A 36 -4.380 -3.943 7.049 1.00 0.00 C ATOM 629 O HIS A 36 -4.948 -4.971 7.407 1.00 0.00 O ATOM 630 CB HIS A 36 -5.828 -1.869 7.149 1.00 0.00 C ATOM 631 CG HIS A 36 -6.571 -1.071 8.192 1.00 0.00 C ATOM 632 ND1 HIS A 36 -7.885 -1.382 8.544 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.125 -0.059 9.005 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.187 -0.537 9.533 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.165 0.275 9.848 1.00 0.00 N ATOM 0 H HIS A 36 -3.565 -0.937 7.249 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.946 -2.915 8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.453 -1.202 6.373 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.510 -2.569 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.144 0.392 8.988 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.148 -0.510 10.025 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.159 0.997 10.569 1.00 0.00 H new ATOM 643 N ALA A 37 -3.469 -3.921 6.073 1.00 0.00 N ATOM 644 CA ALA A 37 -2.920 -5.139 5.497 1.00 0.00 C ATOM 645 C ALA A 37 -2.293 -6.007 6.594 1.00 0.00 C ATOM 646 O ALA A 37 -2.769 -7.109 6.857 1.00 0.00 O ATOM 647 CB ALA A 37 -1.916 -4.814 4.381 1.00 0.00 C ATOM 0 H ALA A 37 -3.097 -3.063 5.666 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.730 -5.709 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.520 -5.741 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.417 -4.250 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.098 -4.220 4.789 1.00 0.00 H new ATOM 653 N ILE A 38 -1.236 -5.503 7.236 1.00 0.00 N ATOM 654 CA ILE A 38 -0.504 -6.169 8.307 1.00 0.00 C ATOM 655 C ILE A 38 -1.428 -6.643 9.437 1.00 0.00 C ATOM 656 O ILE A 38 -1.250 -7.752 9.938 1.00 0.00 O ATOM 657 CB ILE A 38 0.625 -5.226 8.783 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.912 -5.483 7.975 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.956 -5.352 10.276 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.731 -5.346 6.458 1.00 0.00 C ATOM 0 H ILE A 38 -0.855 -4.584 7.012 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.051 -7.087 7.932 1.00 0.00 H new ATOM 0 HB ILE A 38 0.248 -4.217 8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.681 -4.784 8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.276 -6.486 8.199 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.757 -4.658 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.070 -5.116 10.866 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.276 -6.371 10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.680 -5.542 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.986 -6.063 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.398 -4.335 6.221 1.00 0.00 H new ATOM 672 N ARG A 39 -2.421 -5.829 9.823 1.00 0.00 N ATOM 673 CA ARG A 39 -3.418 -6.224 10.816 1.00 0.00 C ATOM 674 C ARG A 39 -4.218 -7.437 10.346 1.00 0.00 C ATOM 675 O ARG A 39 -4.363 -8.401 11.096 1.00 0.00 O ATOM 676 CB ARG A 39 -4.356 -5.061 11.163 1.00 0.00 C ATOM 677 CG ARG A 39 -3.640 -3.895 11.859 1.00 0.00 C ATOM 678 CD ARG A 39 -3.916 -3.850 13.365 1.00 0.00 C ATOM 679 NE ARG A 39 -3.406 -5.046 14.049 1.00 0.00 N ATOM 680 CZ ARG A 39 -3.313 -5.198 15.380 1.00 0.00 C ATOM 681 NH1 ARG A 39 -3.713 -4.224 16.210 1.00 0.00 N ATOM 682 NH2 ARG A 39 -2.815 -6.337 15.881 1.00 0.00 N ATOM 0 H ARG A 39 -2.551 -4.886 9.456 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.879 -6.503 11.721 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.827 -4.697 10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.154 -5.427 11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.566 -3.981 11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.958 -2.956 11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.453 -2.961 13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.989 -3.764 13.535 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.098 -5.824 13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.093 -3.356 15.832 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.637 -4.351 17.219 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.510 -7.080 15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.741 -6.461 16.891 1.00 0.00 H new ATOM 696 N LEU A 40 -4.730 -7.398 9.113 1.00 0.00 N ATOM 697 CA LEU A 40 -5.572 -8.453 8.563 1.00 0.00 C ATOM 698 C LEU A 40 -4.762 -9.580 7.902 1.00 0.00 C ATOM 699 O LEU A 40 -5.340 -10.403 7.193 1.00 0.00 O ATOM 700 CB LEU A 40 -6.590 -7.821 7.609 1.00 0.00 C ATOM 701 CG LEU A 40 -7.458 -6.765 8.319 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.333 -6.077 7.275 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.342 -7.368 9.419 1.00 0.00 C ATOM 0 H LEU A 40 -4.568 -6.626 8.467 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.104 -8.941 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.066 -7.359 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.231 -8.599 7.193 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.792 -6.052 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.955 -5.325 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.700 -5.597 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.970 -6.817 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.932 -6.579 9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.010 -8.111 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.713 -7.844 10.171 1.00 0.00 H new ATOM 715 N GLY A 41 -3.445 -9.646 8.149 1.00 0.00 N ATOM 716 CA GLY A 41 -2.571 -10.699 7.651 1.00 0.00 C ATOM 717 C GLY A 41 -2.563 -10.756 6.124 1.00 0.00 C ATOM 718 O GLY A 41 -2.886 -11.791 5.543 1.00 0.00 O ATOM 0 H GLY A 41 -2.956 -8.951 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.557 -10.531 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.897 -11.660 8.049 1.00 0.00 H new ATOM 722 N ILE A 42 -2.197 -9.637 5.489 1.00 0.00 N ATOM 723 CA ILE A 42 -2.187 -9.463 4.046 1.00 0.00 C ATOM 724 C ILE A 42 -0.766 -9.157 3.588 1.00 0.00 C ATOM 725 O ILE A 42 -0.047 -8.394 4.234 1.00 0.00 O ATOM 726 CB ILE A 42 -3.128 -8.313 3.664 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.587 -8.559 4.073 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.040 -7.906 2.192 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.257 -9.738 3.368 1.00 0.00 C ATOM 0 H ILE A 42 -1.890 -8.803 5.990 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.530 -10.376 3.559 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.762 -7.470 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.625 -8.727 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.164 -7.657 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.734 -7.088 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.025 -7.582 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.299 -8.758 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.284 -9.836 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.256 -9.566 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.709 -10.654 3.590 1.00 0.00 H new ATOM 741 N LYS A 43 -0.397 -9.736 2.444 1.00 0.00 N ATOM 742 CA LYS A 43 0.850 -9.477 1.740 1.00 0.00 C ATOM 743 C LYS A 43 0.534 -8.714 0.453 1.00 0.00 C ATOM 744 O LYS A 43 -0.623 -8.668 0.045 1.00 0.00 O ATOM 745 CB LYS A 43 1.581 -10.792 1.451 1.00 0.00 C ATOM 746 CG LYS A 43 1.560 -11.720 2.674 1.00 0.00 C ATOM 747 CD LYS A 43 2.560 -12.872 2.529 1.00 0.00 C ATOM 748 CE LYS A 43 2.402 -13.909 3.647 1.00 0.00 C ATOM 749 NZ LYS A 43 2.654 -13.301 4.940 1.00 0.00 N ATOM 0 H LYS A 43 -0.983 -10.422 1.969 1.00 0.00 H new ATOM 0 HA LYS A 43 1.512 -8.870 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.113 -11.293 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.613 -10.583 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.794 -11.146 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.556 -12.124 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.419 -13.356 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.575 -12.476 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.396 -14.327 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.094 -14.736 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.694 -14.041 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.560 -12.792 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.888 -12.634 5.165 1.00 0.00 H new ATOM 762 N GLY A 44 1.538 -8.113 -0.195 1.00 0.00 N ATOM 763 CA GLY A 44 1.311 -7.332 -1.408 1.00 0.00 C ATOM 764 C GLY A 44 2.239 -6.127 -1.498 1.00 0.00 C ATOM 765 O GLY A 44 3.440 -6.255 -1.266 1.00 0.00 O ATOM 0 H GLY A 44 2.513 -8.154 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.459 -7.968 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.275 -6.993 -1.432 1.00 0.00 H new ATOM 769 N TYR A 45 1.681 -4.958 -1.845 1.00 0.00 N ATOM 770 CA TYR A 45 2.441 -3.719 -1.962 1.00 0.00 C ATOM 771 C TYR A 45 1.526 -2.516 -2.202 1.00 0.00 C ATOM 772 O TYR A 45 0.518 -2.634 -2.896 1.00 0.00 O ATOM 773 CB TYR A 45 3.460 -3.801 -3.112 1.00 0.00 C ATOM 774 CG TYR A 45 4.924 -3.693 -2.733 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.438 -2.471 -2.264 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.813 -4.720 -3.103 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.824 -2.303 -2.098 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.201 -4.539 -2.974 1.00 0.00 C ATOM 779 CZ TYR A 45 7.704 -3.344 -2.435 1.00 0.00 C ATOM 780 OH TYR A 45 9.046 -3.186 -2.247 1.00 0.00 O ATOM 0 H TYR A 45 0.688 -4.852 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 45 2.966 -3.585 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.312 -4.748 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.234 -3.008 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.766 -1.659 -2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.426 -5.652 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.212 -1.372 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.880 -5.318 -3.289 1.00 0.00 H new ATOM 0 HH TYR A 45 9.229 -3.051 -1.294 1.00 0.00 H new ATOM 790 N ALA A 46 1.937 -1.349 -1.686 1.00 0.00 N ATOM 791 CA ALA A 46 1.366 -0.045 -2.008 1.00 0.00 C ATOM 792 C ALA A 46 2.282 0.659 -2.999 1.00 0.00 C ATOM 793 O ALA A 46 3.148 1.444 -2.609 1.00 0.00 O ATOM 794 CB ALA A 46 1.194 0.799 -0.740 1.00 0.00 C ATOM 0 H ALA A 46 2.701 -1.291 -1.012 1.00 0.00 H new ATOM 0 HA ALA A 46 0.380 -0.179 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.767 1.767 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.528 0.284 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.165 0.947 -0.267 1.00 0.00 H new ATOM 800 N LYS A 47 2.101 0.351 -4.285 1.00 0.00 N ATOM 801 CA LYS A 47 3.029 0.748 -5.325 1.00 0.00 C ATOM 802 C LYS A 47 2.574 2.069 -5.938 1.00 0.00 C ATOM 803 O LYS A 47 1.845 2.107 -6.930 1.00 0.00 O ATOM 804 CB LYS A 47 3.160 -0.404 -6.321 1.00 0.00 C ATOM 805 CG LYS A 47 4.104 -0.066 -7.482 1.00 0.00 C ATOM 806 CD LYS A 47 4.603 -1.309 -8.233 1.00 0.00 C ATOM 807 CE LYS A 47 3.552 -1.947 -9.151 1.00 0.00 C ATOM 808 NZ LYS A 47 2.616 -2.770 -8.409 1.00 0.00 N ATOM 0 H LYS A 47 1.302 -0.183 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 47 4.028 0.937 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.528 -1.289 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.175 -0.653 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.589 0.592 -8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.961 0.487 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.473 -1.036 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.935 -2.051 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.008 -1.164 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.050 -2.554 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.329 -3.581 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.070 -3.113 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.777 -2.206 -8.163 1.00 0.00 H new ATOM 821 N ASN A 48 3.012 3.160 -5.304 1.00 0.00 N ATOM 822 CA ASN A 48 2.724 4.522 -5.659 1.00 0.00 C ATOM 823 C ASN A 48 3.777 5.037 -6.638 1.00 0.00 C ATOM 824 O ASN A 48 4.711 5.736 -6.257 1.00 0.00 O ATOM 825 CB ASN A 48 2.605 5.346 -4.374 1.00 0.00 C ATOM 826 CG ASN A 48 3.848 5.369 -3.487 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.574 6.359 -3.466 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.064 4.316 -2.697 1.00 0.00 N ATOM 0 H ASN A 48 3.612 3.095 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 48 1.771 4.607 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.354 6.372 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.771 4.957 -3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.852 4.317 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.441 3.510 -2.740 1.00 0.00 H new ATOM 835 N LEU A 49 3.598 4.691 -7.917 1.00 0.00 N ATOM 836 CA LEU A 49 4.439 5.108 -9.027 1.00 0.00 C ATOM 837 C LEU A 49 4.404 6.637 -9.098 1.00 0.00 C ATOM 838 O LEU A 49 3.343 7.183 -9.393 1.00 0.00 O ATOM 839 CB LEU A 49 3.882 4.511 -10.325 1.00 0.00 C ATOM 840 CG LEU A 49 3.775 2.979 -10.289 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.835 2.517 -11.400 1.00 0.00 C ATOM 842 CD2 LEU A 49 5.137 2.292 -10.434 1.00 0.00 C ATOM 0 H LEU A 49 2.830 4.088 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 49 5.465 4.765 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.896 4.933 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.523 4.805 -11.157 1.00 0.00 H new ATOM 0 HG LEU A 49 3.380 2.695 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.755 1.430 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.849 2.957 -11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.229 2.834 -12.365 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.004 1.211 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.587 2.574 -11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.789 2.602 -9.618 1.00 0.00 H new ATOM 854 N PRO A 50 5.501 7.349 -8.790 1.00 0.00 N ATOM 855 CA PRO A 50 5.459 8.770 -8.464 1.00 0.00 C ATOM 856 C PRO A 50 5.423 9.670 -9.710 1.00 0.00 C ATOM 857 O PRO A 50 6.120 10.679 -9.779 1.00 0.00 O ATOM 858 CB PRO A 50 6.693 8.989 -7.584 1.00 0.00 C ATOM 859 CG PRO A 50 7.701 8.009 -8.183 1.00 0.00 C ATOM 860 CD PRO A 50 6.820 6.803 -8.511 1.00 0.00 C ATOM 0 HA PRO A 50 4.542 9.048 -7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.049 10.018 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.488 8.771 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.185 8.414 -9.072 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.492 7.756 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.208 6.256 -9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.786 6.103 -7.676 1.00 0.00 H new ATOM 868 N ASP A 51 4.561 9.324 -10.673 1.00 0.00 N ATOM 869 CA ASP A 51 4.168 10.151 -11.802 1.00 0.00 C ATOM 870 C ASP A 51 2.764 9.707 -12.239 1.00 0.00 C ATOM 871 O ASP A 51 2.508 9.502 -13.424 1.00 0.00 O ATOM 872 CB ASP A 51 5.216 10.024 -12.921 1.00 0.00 C ATOM 873 CG ASP A 51 4.983 11.021 -14.054 1.00 0.00 C ATOM 874 OD1 ASP A 51 4.807 10.609 -15.198 1.00 0.00 O ATOM 875 OD2 ASP A 51 5.003 12.339 -13.703 1.00 0.00 O ATOM 0 H ASP A 51 4.100 8.414 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 51 4.126 11.208 -11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.210 10.180 -12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.194 9.011 -13.322 1.00 0.00 H new ATOM 881 N GLY A 52 1.858 9.530 -11.268 1.00 0.00 N ATOM 882 CA GLY A 52 0.508 9.054 -11.495 1.00 0.00 C ATOM 883 C GLY A 52 -0.180 8.812 -10.154 1.00 0.00 C ATOM 884 O GLY A 52 -0.057 9.625 -9.241 1.00 0.00 O ATOM 0 H GLY A 52 2.058 9.721 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.053 9.785 -12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.529 8.132 -12.076 1.00 0.00 H new ATOM 888 N SER A 53 -0.899 7.689 -10.051 1.00 0.00 N ATOM 889 CA SER A 53 -1.711 7.310 -8.897 1.00 0.00 C ATOM 890 C SER A 53 -1.225 5.972 -8.321 1.00 0.00 C ATOM 891 O SER A 53 -0.331 5.348 -8.894 1.00 0.00 O ATOM 892 CB SER A 53 -3.186 7.263 -9.305 1.00 0.00 C ATOM 893 OG SER A 53 -3.549 8.388 -10.079 1.00 0.00 O ATOM 0 H SER A 53 -0.930 6.996 -10.798 1.00 0.00 H new ATOM 0 HA SER A 53 -1.605 8.054 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.378 6.353 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.810 7.219 -8.412 1.00 0.00 H new ATOM 0 HG SER A 53 -3.701 9.156 -9.489 1.00 0.00 H new ATOM 899 N VAL A 54 -1.773 5.551 -7.170 1.00 0.00 N ATOM 900 CA VAL A 54 -1.298 4.372 -6.447 1.00 0.00 C ATOM 901 C VAL A 54 -2.080 3.121 -6.831 1.00 0.00 C ATOM 902 O VAL A 54 -3.299 3.060 -6.672 1.00 0.00 O ATOM 903 CB VAL A 54 -1.258 4.591 -4.920 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.632 4.816 -4.282 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.613 3.397 -4.201 1.00 0.00 C ATOM 0 H VAL A 54 -2.557 6.022 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.265 4.210 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.667 5.499 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.515 4.961 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.096 5.700 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.264 3.947 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.600 3.583 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.189 2.494 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.408 3.265 -4.559 1.00 0.00 H new ATOM 915 N GLU A 55 -1.347 2.114 -7.312 1.00 0.00 N ATOM 916 CA GLU A 55 -1.853 0.769 -7.496 1.00 0.00 C ATOM 917 C GLU A 55 -1.491 -0.074 -6.278 1.00 0.00 C ATOM 918 O GLU A 55 -0.325 -0.398 -6.058 1.00 0.00 O ATOM 919 CB GLU A 55 -1.373 0.155 -8.817 1.00 0.00 C ATOM 920 CG GLU A 55 0.098 0.368 -9.188 1.00 0.00 C ATOM 921 CD GLU A 55 0.337 -0.162 -10.598 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.277 0.613 -11.549 1.00 0.00 O ATOM 923 OE2 GLU A 55 0.558 -1.502 -10.708 1.00 0.00 O ATOM 0 H GLU A 55 -0.370 2.221 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.940 0.799 -7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.561 -0.918 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.987 0.559 -9.622 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.350 1.427 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.744 -0.148 -8.477 1.00 0.00 H new ATOM 931 N VAL A 56 -2.509 -0.423 -5.490 1.00 0.00 N ATOM 932 CA VAL A 56 -2.389 -1.355 -4.384 1.00 0.00 C ATOM 933 C VAL A 56 -2.594 -2.768 -4.928 1.00 0.00 C ATOM 934 O VAL A 56 -3.477 -2.983 -5.756 1.00 0.00 O ATOM 935 CB VAL A 56 -3.424 -1.017 -3.299 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.401 -2.063 -2.179 1.00 0.00 C ATOM 937 CG2 VAL A 56 -3.154 0.373 -2.705 1.00 0.00 C ATOM 0 H VAL A 56 -3.453 -0.056 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.402 -1.285 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.408 -1.020 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.142 -1.803 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.634 -3.044 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.411 -2.087 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.898 0.592 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.159 0.392 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.213 1.123 -3.493 1.00 0.00 H new ATOM 947 N VAL A 57 -1.800 -3.720 -4.429 1.00 0.00 N ATOM 948 CA VAL A 57 -2.029 -5.151 -4.572 1.00 0.00 C ATOM 949 C VAL A 57 -2.080 -5.731 -3.159 1.00 0.00 C ATOM 950 O VAL A 57 -1.284 -5.329 -2.313 1.00 0.00 O ATOM 951 CB VAL A 57 -0.956 -5.785 -5.478 1.00 0.00 C ATOM 952 CG1 VAL A 57 0.473 -5.638 -4.941 1.00 0.00 C ATOM 953 CG2 VAL A 57 -1.253 -7.268 -5.739 1.00 0.00 C ATOM 0 H VAL A 57 -0.956 -3.504 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.972 -5.371 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.007 -5.227 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.172 -6.109 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.717 -4.580 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.547 -6.120 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.478 -7.687 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.270 -7.808 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.222 -7.364 -6.229 1.00 0.00 H new ATOM 963 N ALA A 58 -3.059 -6.605 -2.886 1.00 0.00 N ATOM 964 CA ALA A 58 -3.387 -7.070 -1.542 1.00 0.00 C ATOM 965 C ALA A 58 -3.895 -8.507 -1.594 1.00 0.00 C ATOM 966 O ALA A 58 -4.931 -8.770 -2.202 1.00 0.00 O ATOM 967 CB ALA A 58 -4.474 -6.178 -0.948 1.00 0.00 C ATOM 0 H ALA A 58 -3.652 -7.012 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.490 -7.027 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.720 -6.524 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.115 -5.150 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.364 -6.222 -1.575 1.00 0.00 H new ATOM 973 N GLU A 59 -3.167 -9.426 -0.953 1.00 0.00 N ATOM 974 CA GLU A 59 -3.392 -10.857 -1.051 1.00 0.00 C ATOM 975 C GLU A 59 -4.064 -11.383 0.210 1.00 0.00 C ATOM 976 O GLU A 59 -3.434 -11.411 1.267 1.00 0.00 O ATOM 977 CB GLU A 59 -2.076 -11.595 -1.330 1.00 0.00 C ATOM 978 CG GLU A 59 -1.415 -11.029 -2.591 1.00 0.00 C ATOM 979 CD GLU A 59 -0.399 -11.977 -3.222 1.00 0.00 C ATOM 980 OE1 GLU A 59 -0.306 -12.017 -4.447 1.00 0.00 O ATOM 981 OE2 GLU A 59 0.352 -12.736 -2.371 1.00 0.00 O ATOM 0 H GLU A 59 -2.389 -9.182 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.063 -11.044 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.403 -11.491 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.267 -12.661 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.188 -10.797 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.919 -10.091 -2.342 1.00 0.00 H new ATOM 989 N GLY A 60 -5.327 -11.808 0.100 1.00 0.00 N ATOM 990 CA GLY A 60 -6.079 -12.332 1.226 1.00 0.00 C ATOM 991 C GLY A 60 -7.225 -13.224 0.770 1.00 0.00 C ATOM 992 O GLY A 60 -7.679 -13.144 -0.372 1.00 0.00 O ATOM 0 H GLY A 60 -5.850 -11.795 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.413 -12.899 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.474 -11.505 1.817 1.00 0.00 H new ATOM 996 N TYR A 61 -7.691 -14.068 1.697 1.00 0.00 N ATOM 997 CA TYR A 61 -8.894 -14.868 1.572 1.00 0.00 C ATOM 998 C TYR A 61 -10.091 -13.971 1.249 1.00 0.00 C ATOM 999 O TYR A 61 -10.030 -12.762 1.459 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.112 -15.564 2.919 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.091 -16.630 3.263 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -8.284 -17.953 2.825 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -6.969 -16.314 4.052 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -7.348 -18.949 3.152 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.041 -17.313 4.391 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.225 -18.629 3.933 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.315 -19.597 4.243 1.00 0.00 O ATOM 0 H TYR A 61 -7.214 -14.211 2.587 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.793 -15.597 0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.106 -14.810 3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.103 -16.018 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.154 -18.204 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.821 -15.302 4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.492 -19.961 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.186 -17.070 5.004 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.598 -19.210 4.788 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.198 -14.556 0.782 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.404 -13.788 0.494 1.00 0.00 C ATOM 1019 C GLU A 62 -13.068 -13.324 1.788 1.00 0.00 C ATOM 1020 O GLU A 62 -13.472 -12.168 1.889 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.395 -14.596 -0.335 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.773 -15.130 -1.629 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.819 -15.793 -2.517 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -13.920 -17.018 -2.522 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.586 -14.949 -3.265 1.00 0.00 O ATOM 0 H GLU A 62 -11.280 -15.556 0.597 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.105 -12.916 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.765 -15.432 0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.255 -13.972 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.299 -14.312 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.990 -15.849 -1.388 1.00 0.00 H new ATOM 1033 N GLU A 63 -13.168 -14.225 2.773 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.685 -13.944 4.100 1.00 0.00 C ATOM 1035 C GLU A 63 -13.058 -12.672 4.683 1.00 0.00 C ATOM 1036 O GLU A 63 -13.767 -11.842 5.244 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.402 -15.159 4.991 1.00 0.00 C ATOM 1038 CG GLU A 63 -14.257 -16.369 4.588 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.959 -17.577 5.470 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.760 -17.900 6.346 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -12.792 -18.231 5.210 1.00 0.00 O ATOM 0 H GLU A 63 -12.880 -15.197 2.656 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.759 -13.767 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.346 -15.421 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.602 -14.902 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.314 -16.112 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.065 -16.621 3.545 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.736 -12.518 4.521 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.963 -11.380 4.998 1.00 0.00 C ATOM 1051 C ALA A 64 -10.756 -10.309 3.922 1.00 0.00 C ATOM 1052 O ALA A 64 -10.117 -9.298 4.212 1.00 0.00 O ATOM 1053 CB ALA A 64 -9.608 -11.889 5.500 1.00 0.00 C ATOM 0 H ALA A 64 -11.163 -13.210 4.037 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.523 -10.904 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.015 -11.049 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.764 -12.599 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.079 -12.382 4.684 1.00 0.00 H new ATOM 1059 N LEU A 65 -11.279 -10.489 2.698 1.00 0.00 N ATOM 1060 CA LEU A 65 -11.107 -9.477 1.663 1.00 0.00 C ATOM 1061 C LEU A 65 -11.909 -8.232 2.031 1.00 0.00 C ATOM 1062 O LEU A 65 -11.333 -7.163 2.210 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.481 -10.008 0.281 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.205 -8.962 -0.800 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.711 -8.624 -0.929 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.691 -9.518 -2.127 1.00 0.00 C ATOM 0 H LEU A 65 -11.812 -11.310 2.412 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.052 -9.209 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.913 -10.914 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.536 -10.282 0.266 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.726 -8.045 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.573 -7.877 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.344 -8.230 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.155 -9.525 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.505 -8.790 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.157 -10.441 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.760 -9.723 -2.066 1.00 0.00 H new ATOM 1078 N SER A 66 -13.231 -8.394 2.153 1.00 0.00 N ATOM 1079 CA SER A 66 -14.173 -7.366 2.584 1.00 0.00 C ATOM 1080 C SER A 66 -13.628 -6.527 3.741 1.00 0.00 C ATOM 1081 O SER A 66 -13.679 -5.304 3.674 1.00 0.00 O ATOM 1082 CB SER A 66 -15.499 -8.033 2.964 1.00 0.00 C ATOM 1083 OG SER A 66 -15.303 -9.035 3.943 1.00 0.00 O ATOM 0 H SER A 66 -13.688 -9.282 1.945 1.00 0.00 H new ATOM 0 HA SER A 66 -14.332 -6.675 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.192 -7.282 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.956 -8.471 2.077 1.00 0.00 H new ATOM 0 HG SER A 66 -16.164 -9.444 4.169 1.00 0.00 H new ATOM 1089 N LYS A 67 -13.090 -7.183 4.775 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.524 -6.556 5.965 1.00 0.00 C ATOM 1091 C LYS A 67 -11.464 -5.502 5.619 1.00 0.00 C ATOM 1092 O LYS A 67 -11.455 -4.429 6.220 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.973 -7.641 6.906 1.00 0.00 C ATOM 1094 CG LYS A 67 -13.059 -8.241 7.813 1.00 0.00 C ATOM 1095 CD LYS A 67 -14.180 -8.921 7.017 1.00 0.00 C ATOM 1096 CE LYS A 67 -15.103 -9.762 7.904 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.841 -8.915 8.822 1.00 0.00 N ATOM 0 H LYS A 67 -13.037 -8.201 4.803 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.319 -6.017 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.520 -8.435 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.183 -7.214 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.604 -8.967 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.485 -7.453 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.769 -8.161 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.741 -9.557 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.798 -10.326 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.515 -10.489 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.498 -9.497 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.176 -8.434 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.378 -8.205 8.284 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.593 -5.781 4.640 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.656 -4.795 4.107 1.00 0.00 C ATOM 1112 C LEU A 68 -10.408 -3.781 3.245 1.00 0.00 C ATOM 1113 O LEU A 68 -10.260 -2.575 3.428 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.540 -5.501 3.319 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.713 -4.560 2.424 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.066 -3.404 3.189 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.604 -5.354 1.734 1.00 0.00 C ATOM 0 H LEU A 68 -10.522 -6.698 4.198 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.186 -4.252 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.871 -5.998 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.984 -6.279 2.698 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.411 -4.132 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.499 -2.782 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.841 -2.804 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.396 -3.802 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.019 -4.687 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.955 -5.802 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.046 -6.140 1.122 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.175 -4.263 2.264 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.762 -3.401 1.251 1.00 0.00 C ATOM 1131 C LEU A 69 -12.565 -2.254 1.873 1.00 0.00 C ATOM 1132 O LEU A 69 -12.329 -1.092 1.549 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.629 -4.246 0.302 1.00 0.00 C ATOM 1134 CG LEU A 69 -11.927 -4.628 -1.014 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -11.763 -3.435 -1.965 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.564 -5.285 -0.779 1.00 0.00 C ATOM 0 H LEU A 69 -11.401 -5.252 2.155 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.957 -2.938 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.932 -5.157 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.539 -3.693 0.069 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.587 -5.355 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.262 -3.762 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.744 -3.031 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.166 -2.663 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.110 -5.535 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.915 -4.595 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.695 -6.194 -0.191 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.495 -2.593 2.774 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.386 -1.662 3.453 1.00 0.00 C ATOM 1150 C GLU A 70 -13.605 -0.548 4.157 1.00 0.00 C ATOM 1151 O GLU A 70 -13.960 0.618 4.008 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.338 -2.425 4.388 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.658 -2.990 5.643 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.555 -3.997 6.358 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.775 -5.089 5.841 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.057 -3.603 7.563 1.00 0.00 O ATOM 0 H GLU A 70 -13.648 -3.561 3.056 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.005 -1.158 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.144 -1.758 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.795 -3.245 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.719 -3.470 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.410 -2.175 6.323 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.525 -0.905 4.870 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.548 0.015 5.451 1.00 0.00 C ATOM 1166 C ARG A 71 -11.218 1.137 4.466 1.00 0.00 C ATOM 1167 O ARG A 71 -11.318 2.309 4.822 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.324 -0.779 5.955 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.949 -0.220 5.571 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.680 1.108 6.284 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.499 2.250 5.376 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.526 2.406 4.464 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.615 1.452 4.242 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.486 3.527 3.735 1.00 0.00 N ATOM 0 H ARG A 71 -12.304 -1.882 5.062 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.964 0.516 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.378 -0.838 7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.397 -1.798 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.174 -0.941 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.900 -0.074 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.510 1.321 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.788 1.003 6.901 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.184 3.002 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.649 0.581 4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.886 1.596 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.190 4.252 3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.752 3.657 3.039 1.00 0.00 H new ATOM 1188 N ILE A 72 -10.815 0.781 3.243 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.268 1.744 2.292 1.00 0.00 C ATOM 1190 C ILE A 72 -11.315 2.792 1.917 1.00 0.00 C ATOM 1191 O ILE A 72 -11.144 3.966 2.231 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.644 1.049 1.071 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.551 0.046 1.486 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -8.978 2.097 0.170 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.390 -1.021 0.404 1.00 0.00 C ATOM 0 H ILE A 72 -10.859 -0.175 2.890 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.450 2.277 2.777 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.446 0.523 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.606 0.567 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.815 -0.422 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.536 1.604 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.725 2.817 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.199 2.616 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.616 -1.728 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.334 -1.551 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.106 -0.547 -0.535 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.392 2.371 1.246 1.00 0.00 N ATOM 1208 CA LYS A 73 -13.462 3.259 0.815 1.00 0.00 C ATOM 1209 C LYS A 73 -14.072 4.059 1.970 1.00 0.00 C ATOM 1210 O LYS A 73 -14.333 5.250 1.817 1.00 0.00 O ATOM 1211 CB LYS A 73 -14.504 2.438 0.048 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.010 1.181 0.774 1.00 0.00 C ATOM 1213 CD LYS A 73 -15.555 0.168 -0.238 1.00 0.00 C ATOM 1214 CE LYS A 73 -14.461 -0.615 -0.986 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.074 -1.367 -2.065 1.00 0.00 N ATOM 0 H LYS A 73 -12.541 1.396 0.988 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.046 4.015 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.358 3.079 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.075 2.138 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.199 0.732 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.791 1.452 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.203 -0.538 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.174 0.693 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.712 0.070 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.946 -1.289 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.796 -2.367 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.109 -1.289 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.757 -0.985 -2.979 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.277 3.413 3.125 1.00 0.00 N ATOM 1229 CA GLN A 74 -14.798 4.052 4.332 1.00 0.00 C ATOM 1230 C GLN A 74 -13.831 5.108 4.880 1.00 0.00 C ATOM 1231 O GLN A 74 -14.275 6.144 5.370 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.104 2.984 5.389 1.00 0.00 C ATOM 1233 CG GLN A 74 -15.832 3.555 6.612 1.00 0.00 C ATOM 1234 CD GLN A 74 -16.098 2.470 7.653 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -15.577 2.531 8.764 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -16.909 1.472 7.299 1.00 0.00 N ATOM 0 H GLN A 74 -14.082 2.419 3.245 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.720 4.573 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.714 2.200 4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.172 2.519 5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.233 4.350 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.776 4.003 6.300 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.322 1.457 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.116 0.724 7.961 1.00 0.00 H new ATOM 1245 N GLY A 75 -12.520 4.843 4.804 1.00 0.00 N ATOM 1246 CA GLY A 75 -11.454 5.716 5.273 1.00 0.00 C ATOM 1247 C GLY A 75 -10.634 6.228 4.086 1.00 0.00 C ATOM 1248 O GLY A 75 -9.538 5.715 3.859 1.00 0.00 O ATOM 0 H GLY A 75 -12.167 3.977 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.877 6.557 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.808 5.175 5.965 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.150 7.209 3.321 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.533 7.709 2.095 1.00 0.00 C ATOM 1254 C PRO A 76 -9.254 8.514 2.377 1.00 0.00 C ATOM 1255 O PRO A 76 -8.987 8.859 3.528 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.612 8.584 1.439 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.436 9.078 2.622 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.426 7.868 3.546 1.00 0.00 C ATOM 0 HA PRO A 76 -10.215 6.892 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.174 9.412 0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.220 8.013 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.989 9.954 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.447 9.356 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.532 8.171 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.257 7.199 3.323 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.458 8.821 1.338 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.239 9.611 1.460 1.00 0.00 C ATOM 1268 C PRO A 77 -7.552 11.084 1.709 1.00 0.00 C ATOM 1269 O PRO A 77 -8.688 11.527 1.541 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.518 9.452 0.117 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.666 9.238 -0.862 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.662 8.419 -0.047 1.00 0.00 C ATOM 0 HA PRO A 77 -6.635 9.273 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.932 10.336 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.831 8.606 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.096 10.183 -1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.341 8.705 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.686 8.616 -0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.489 7.351 -0.175 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.510 11.855 2.045 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.577 13.304 2.173 1.00 0.00 C ATOM 1282 C ALA A 78 -6.340 13.996 0.822 1.00 0.00 C ATOM 1283 O ALA A 78 -5.847 15.122 0.791 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.562 13.759 3.226 1.00 0.00 C ATOM 0 H ALA A 78 -5.583 11.476 2.238 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.577 13.591 2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.605 14.843 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.798 13.294 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.559 13.464 2.917 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.696 13.333 -0.287 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.628 13.870 -1.636 1.00 0.00 C ATOM 1292 C ALA A 79 -7.970 13.672 -2.335 1.00 0.00 C ATOM 1293 O ALA A 79 -8.823 12.917 -1.865 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.528 13.167 -2.422 1.00 0.00 C ATOM 0 H ALA A 79 -7.050 12.377 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.401 14.935 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.484 13.576 -3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.570 13.322 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.742 12.099 -2.472 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.129 14.331 -3.486 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.273 14.161 -4.365 1.00 0.00 C ATOM 1302 C GLU A 80 -9.174 12.818 -5.095 1.00 0.00 C ATOM 1303 O GLU A 80 -8.691 12.738 -6.224 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.426 15.377 -5.299 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.167 15.773 -6.090 1.00 0.00 C ATOM 1306 CD GLU A 80 -8.427 16.993 -6.968 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.779 18.022 -6.781 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.386 16.848 -7.926 1.00 0.00 O ATOM 0 H GLU A 80 -7.450 15.008 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.193 14.125 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.228 15.169 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.742 16.233 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.352 15.987 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.847 14.937 -6.711 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.633 11.751 -4.428 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.670 10.407 -4.980 1.00 0.00 C ATOM 1318 C VAL A 81 -10.664 10.337 -6.138 1.00 0.00 C ATOM 1319 O VAL A 81 -11.872 10.233 -5.943 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.929 9.377 -3.864 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.236 9.561 -3.077 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.855 7.949 -4.421 1.00 0.00 C ATOM 0 H VAL A 81 -9.993 11.807 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.699 10.150 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.133 9.556 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.316 8.783 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.236 10.539 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.084 9.492 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.040 7.235 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.607 7.823 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.865 7.773 -4.841 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.123 10.424 -7.355 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.856 10.409 -8.607 1.00 0.00 C ATOM 1334 C GLU A 82 -11.838 9.230 -8.646 1.00 0.00 C ATOM 1335 O GLU A 82 -13.033 9.449 -8.822 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.823 10.385 -9.739 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.442 10.525 -11.133 1.00 0.00 C ATOM 1338 CD GLU A 82 -9.364 10.480 -12.214 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -9.379 9.578 -13.048 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -8.427 11.470 -12.168 1.00 0.00 O ATOM 0 H GLU A 82 -9.116 10.510 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.476 11.298 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.108 11.193 -9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.264 9.451 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.162 9.723 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.990 11.465 -11.199 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.333 8.003 -8.439 1.00 0.00 N ATOM 1349 CA LYS A 83 -12.127 6.781 -8.278 1.00 0.00 C ATOM 1350 C LYS A 83 -11.225 5.572 -8.011 1.00 0.00 C ATOM 1351 O LYS A 83 -10.231 5.375 -8.703 1.00 0.00 O ATOM 1352 CB LYS A 83 -13.022 6.500 -9.503 1.00 0.00 C ATOM 1353 CG LYS A 83 -12.232 6.404 -10.817 1.00 0.00 C ATOM 1354 CD LYS A 83 -13.130 6.181 -12.038 1.00 0.00 C ATOM 1355 CE LYS A 83 -13.942 7.430 -12.399 1.00 0.00 C ATOM 1356 NZ LYS A 83 -14.689 7.188 -13.617 1.00 0.00 N ATOM 0 H LYS A 83 -10.329 7.832 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.776 6.944 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.564 5.568 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.767 7.291 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.658 7.320 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.515 5.586 -10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.515 5.891 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.810 5.353 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.623 7.681 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.277 8.283 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.239 8.036 -13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.030 6.969 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.335 6.385 -13.475 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.583 4.724 -7.042 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.923 3.436 -6.866 1.00 0.00 C ATOM 1371 C VAL A 84 -11.573 2.403 -7.786 1.00 0.00 C ATOM 1372 O VAL A 84 -12.543 1.741 -7.422 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.824 3.039 -5.383 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -12.154 3.078 -4.626 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -10.170 1.659 -5.232 1.00 0.00 C ATOM 0 H VAL A 84 -12.327 4.911 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.880 3.501 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.196 3.802 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.991 2.784 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.561 4.089 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.858 2.389 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.110 1.398 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.768 0.914 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.167 1.683 -5.657 1.00 0.00 H new ATOM 1385 N ASP A 85 -11.025 2.286 -9.000 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.499 1.366 -10.017 1.00 0.00 C ATOM 1387 C ASP A 85 -10.746 0.051 -9.834 1.00 0.00 C ATOM 1388 O ASP A 85 -9.782 -0.222 -10.549 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.275 1.990 -11.400 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.818 1.099 -12.511 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -13.032 0.927 -12.602 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.894 0.540 -13.343 1.00 0.00 O ATOM 0 H ASP A 85 -10.225 2.843 -9.300 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.567 1.168 -9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.762 2.964 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.209 2.159 -11.556 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.162 -0.741 -8.837 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.436 -1.939 -8.452 1.00 0.00 C ATOM 1400 C TYR A 86 -10.703 -3.105 -9.402 1.00 0.00 C ATOM 1401 O TYR A 86 -11.584 -3.044 -10.259 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.725 -2.325 -6.990 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.962 -3.177 -6.762 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.243 -2.597 -6.795 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.829 -4.560 -6.521 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.382 -3.385 -6.555 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.967 -5.346 -6.278 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.244 -4.758 -6.286 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.345 -5.524 -6.035 1.00 0.00 O ATOM 0 H TYR A 86 -12.002 -0.565 -8.286 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.374 -1.706 -8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.861 -2.861 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.824 -1.410 -6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.352 -1.543 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.850 -5.016 -6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.364 -2.935 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.861 -6.403 -6.085 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.069 -6.450 -5.871 1.00 0.00 H new ATOM 1419 N SER A 87 -9.926 -4.175 -9.214 1.00 0.00 N ATOM 1420 CA SER A 87 -10.018 -5.414 -9.959 1.00 0.00 C ATOM 1421 C SER A 87 -9.735 -6.590 -9.025 1.00 0.00 C ATOM 1422 O SER A 87 -8.696 -6.637 -8.370 1.00 0.00 O ATOM 1423 CB SER A 87 -9.026 -5.400 -11.127 1.00 0.00 C ATOM 1424 OG SER A 87 -9.219 -4.258 -11.936 1.00 0.00 O ATOM 0 H SER A 87 -9.189 -4.193 -8.509 1.00 0.00 H new ATOM 0 HA SER A 87 -11.023 -5.520 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.006 -5.411 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.151 -6.301 -11.727 1.00 0.00 H new ATOM 0 HG SER A 87 -8.575 -4.268 -12.675 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.664 -7.549 -8.992 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.474 -8.858 -8.386 1.00 0.00 C ATOM 1432 C PHE A 88 -9.672 -9.716 -9.373 1.00 0.00 C ATOM 1433 O PHE A 88 -10.025 -9.783 -10.549 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.857 -9.450 -8.066 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.954 -10.962 -8.135 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.640 -11.748 -7.013 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.331 -11.586 -9.339 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.694 -13.152 -7.097 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.378 -12.988 -9.426 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.055 -13.771 -8.305 1.00 0.00 C ATOM 0 H PHE A 88 -11.592 -7.428 -9.398 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.917 -8.809 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.146 -9.130 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.583 -9.025 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.357 -11.274 -6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.585 -10.985 -10.200 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.458 -13.754 -6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.662 -13.463 -10.353 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.084 -14.849 -8.372 1.00 0.00 H new ATOM 1450 N SER A 89 -8.584 -10.344 -8.903 1.00 0.00 N ATOM 1451 CA SER A 89 -7.692 -11.160 -9.720 1.00 0.00 C ATOM 1452 C SER A 89 -7.341 -12.461 -8.987 1.00 0.00 C ATOM 1453 O SER A 89 -8.027 -12.834 -8.037 1.00 0.00 O ATOM 1454 CB SER A 89 -6.449 -10.338 -10.084 1.00 0.00 C ATOM 1455 OG SER A 89 -6.813 -9.081 -10.616 1.00 0.00 O ATOM 0 H SER A 89 -8.300 -10.294 -7.925 1.00 0.00 H new ATOM 0 HA SER A 89 -8.188 -11.446 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.830 -10.197 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.847 -10.884 -10.810 1.00 0.00 H new ATOM 0 HG SER A 89 -6.005 -8.574 -10.839 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.274 -13.148 -9.420 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.753 -14.358 -8.794 1.00 0.00 C ATOM 1463 C GLU A 90 -4.250 -14.207 -8.565 1.00 0.00 C ATOM 1464 O GLU A 90 -3.545 -13.690 -9.431 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.106 -15.608 -9.615 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.429 -15.719 -10.990 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.889 -14.645 -11.974 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -6.949 -14.796 -12.577 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -5.071 -13.564 -12.114 1.00 0.00 O ATOM 0 H GLU A 90 -5.738 -12.863 -10.240 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.227 -14.495 -7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.844 -16.490 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.186 -15.631 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.349 -15.648 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.636 -16.702 -11.412 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.773 -14.604 -7.376 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.413 -14.347 -6.936 1.00 0.00 C ATOM 1479 C TYR A 91 -1.370 -14.926 -7.891 1.00 0.00 C ATOM 1480 O TYR A 91 -1.499 -16.060 -8.349 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.218 -14.842 -5.501 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.024 -16.337 -5.334 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.098 -17.224 -5.539 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.757 -16.844 -4.989 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -2.904 -18.609 -5.398 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.567 -18.228 -4.838 1.00 0.00 C ATOM 1487 CZ TYR A 91 -1.642 -19.111 -5.039 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.466 -20.455 -4.886 1.00 0.00 O ATOM 0 H TYR A 91 -4.333 -15.116 -6.694 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.258 -13.268 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.352 -14.334 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.085 -14.540 -4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.072 -16.840 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.071 -16.167 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.727 -19.288 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.405 -18.613 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.536 -20.637 -4.638 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.337 -14.128 -8.183 1.00 0.00 N ATOM 1499 CA LYS A 92 0.790 -14.551 -8.996 1.00 0.00 C ATOM 1500 C LYS A 92 1.747 -15.386 -8.144 1.00 0.00 C ATOM 1501 O LYS A 92 2.190 -16.448 -8.574 1.00 0.00 O ATOM 1502 CB LYS A 92 1.484 -13.318 -9.592 1.00 0.00 C ATOM 1503 CG LYS A 92 2.747 -13.656 -10.399 1.00 0.00 C ATOM 1504 CD LYS A 92 2.460 -14.593 -11.580 1.00 0.00 C ATOM 1505 CE LYS A 92 3.731 -14.814 -12.406 1.00 0.00 C ATOM 1506 NZ LYS A 92 3.450 -15.719 -13.504 1.00 0.00 N ATOM 0 H LYS A 92 -0.267 -13.165 -7.855 1.00 0.00 H new ATOM 0 HA LYS A 92 0.447 -15.173 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.781 -12.791 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.750 -12.635 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.193 -12.734 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.481 -14.121 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.087 -15.549 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.679 -14.167 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.096 -13.862 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.519 -15.226 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.315 -15.867 -14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.122 -16.631 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.712 -15.309 -14.111 1.00 0.00 H new ATOM 1519 N GLY A 93 2.072 -14.896 -6.942 1.00 0.00 N ATOM 1520 CA GLY A 93 3.015 -15.535 -6.047 1.00 0.00 C ATOM 1521 C GLY A 93 2.938 -14.922 -4.650 1.00 0.00 C ATOM 1522 O GLY A 93 2.079 -14.086 -4.364 1.00 0.00 O ATOM 0 H GLY A 93 1.677 -14.033 -6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.805 -16.603 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.026 -15.429 -6.440 1.00 0.00 H new ATOM 1526 N GLU A 94 3.853 -15.363 -3.783 1.00 0.00 N ATOM 1527 CA GLU A 94 3.946 -14.939 -2.398 1.00 0.00 C ATOM 1528 C GLU A 94 4.803 -13.677 -2.286 1.00 0.00 C ATOM 1529 O GLU A 94 6.027 -13.741 -2.204 1.00 0.00 O ATOM 1530 CB GLU A 94 4.433 -16.085 -1.499 1.00 0.00 C ATOM 1531 CG GLU A 94 5.676 -16.833 -2.004 1.00 0.00 C ATOM 1532 CD GLU A 94 6.235 -17.756 -0.927 1.00 0.00 C ATOM 1533 OE1 GLU A 94 7.290 -17.464 -0.366 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.502 -18.872 -0.654 1.00 0.00 O ATOM 0 H GLU A 94 4.567 -16.045 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 94 2.951 -14.678 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.649 -15.682 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.621 -16.802 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.420 -17.415 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.439 -16.115 -2.305 1.00 0.00 H new ATOM 1542 N PHE A 95 4.140 -12.518 -2.248 1.00 0.00 N ATOM 1543 CA PHE A 95 4.764 -11.257 -1.882 1.00 0.00 C ATOM 1544 C PHE A 95 5.342 -11.386 -0.475 1.00 0.00 C ATOM 1545 O PHE A 95 4.669 -11.902 0.414 1.00 0.00 O ATOM 1546 CB PHE A 95 3.716 -10.144 -1.912 1.00 0.00 C ATOM 1547 CG PHE A 95 3.396 -9.623 -3.299 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.559 -10.360 -4.154 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.903 -8.380 -3.721 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.180 -9.835 -5.400 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.520 -7.849 -4.965 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.654 -8.574 -5.802 1.00 0.00 C ATOM 0 H PHE A 95 3.149 -12.435 -2.473 1.00 0.00 H new ATOM 0 HA PHE A 95 5.560 -11.015 -2.586 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.798 -10.514 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.067 -9.315 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.206 -11.335 -3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.587 -7.833 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.526 -10.399 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.891 -6.884 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.353 -8.162 -6.754 1.00 0.00 H new ATOM 1562 N GLU A 96 6.580 -10.924 -0.274 1.00 0.00 N ATOM 1563 CA GLU A 96 7.248 -10.942 1.015 1.00 0.00 C ATOM 1564 C GLU A 96 6.710 -9.823 1.913 1.00 0.00 C ATOM 1565 O GLU A 96 7.397 -8.838 2.172 1.00 0.00 O ATOM 1566 CB GLU A 96 8.777 -10.921 0.840 1.00 0.00 C ATOM 1567 CG GLU A 96 9.314 -9.797 -0.062 1.00 0.00 C ATOM 1568 CD GLU A 96 10.836 -9.736 -0.002 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.383 -8.830 0.623 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.499 -10.724 -0.668 1.00 0.00 O ATOM 0 H GLU A 96 7.149 -10.522 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 96 7.023 -11.877 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.239 -10.829 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.093 -11.879 0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.992 -9.964 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.894 -8.841 0.252 1.00 0.00 H new ATOM 1578 N ASP A 97 5.465 -9.999 2.376 1.00 0.00 N ATOM 1579 CA ASP A 97 4.694 -9.049 3.171 1.00 0.00 C ATOM 1580 C ASP A 97 4.277 -7.832 2.336 1.00 0.00 C ATOM 1581 O ASP A 97 4.804 -7.594 1.251 1.00 0.00 O ATOM 1582 CB ASP A 97 5.444 -8.660 4.459 1.00 0.00 C ATOM 1583 CG ASP A 97 4.589 -7.848 5.430 1.00 0.00 C ATOM 1584 OD1 ASP A 97 5.038 -6.808 5.905 1.00 0.00 O ATOM 1585 OD2 ASP A 97 3.344 -8.338 5.691 1.00 0.00 O ATOM 0 H ASP A 97 4.945 -10.857 2.193 1.00 0.00 H new ATOM 0 HA ASP A 97 3.772 -9.539 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.789 -9.565 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.331 -8.083 4.196 1.00 0.00 H new ATOM 1591 N PHE A 98 3.306 -7.066 2.845 1.00 0.00 N ATOM 1592 CA PHE A 98 2.838 -5.846 2.214 1.00 0.00 C ATOM 1593 C PHE A 98 3.779 -4.707 2.596 1.00 0.00 C ATOM 1594 O PHE A 98 3.779 -4.279 3.748 1.00 0.00 O ATOM 1595 CB PHE A 98 1.390 -5.568 2.636 1.00 0.00 C ATOM 1596 CG PHE A 98 0.698 -4.473 1.846 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.085 -3.129 2.005 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.395 -4.785 1.016 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.358 -2.103 1.386 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.122 -3.756 0.395 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.742 -2.416 0.575 1.00 0.00 C ATOM 0 H PHE A 98 2.823 -7.286 3.716 1.00 0.00 H new ATOM 0 HA PHE A 98 2.844 -5.944 1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.814 -6.488 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.379 -5.298 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.948 -2.887 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.675 -5.816 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.645 -1.072 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.975 -3.996 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.297 -1.627 0.089 1.00 0.00 H new ATOM 1611 N GLU A 99 4.566 -4.212 1.633 1.00 0.00 N ATOM 1612 CA GLU A 99 5.455 -3.069 1.831 1.00 0.00 C ATOM 1613 C GLU A 99 4.935 -1.881 1.015 1.00 0.00 C ATOM 1614 O GLU A 99 3.910 -1.992 0.351 1.00 0.00 O ATOM 1615 CB GLU A 99 6.877 -3.500 1.450 1.00 0.00 C ATOM 1616 CG GLU A 99 7.948 -2.461 1.814 1.00 0.00 C ATOM 1617 CD GLU A 99 9.350 -3.046 1.672 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.075 -2.667 0.754 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.708 -3.980 2.599 1.00 0.00 O ATOM 0 H GLU A 99 4.601 -4.598 0.690 1.00 0.00 H new ATOM 0 HA GLU A 99 5.478 -2.743 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.110 -4.441 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.916 -3.690 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.847 -1.589 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.795 -2.119 2.838 1.00 0.00 H new ATOM 1627 N THR A 100 5.602 -0.726 1.091 1.00 0.00 N ATOM 1628 CA THR A 100 5.178 0.492 0.414 1.00 0.00 C ATOM 1629 C THR A 100 6.307 1.008 -0.483 1.00 0.00 C ATOM 1630 O THR A 100 7.464 0.987 -0.065 1.00 0.00 O ATOM 1631 CB THR A 100 4.728 1.523 1.470 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.788 2.353 1.897 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.140 0.844 2.717 1.00 0.00 C ATOM 0 H THR A 100 6.460 -0.614 1.631 1.00 0.00 H new ATOM 0 HA THR A 100 4.326 0.297 -0.238 1.00 0.00 H new ATOM 0 HB THR A 100 3.967 2.126 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.456 2.990 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.835 1.605 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.274 0.247 2.432 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.893 0.198 3.169 1.00 0.00 H new ATOM 1641 N TYR A 101 5.995 1.476 -1.701 1.00 0.00 N ATOM 1642 CA TYR A 101 6.972 2.227 -2.492 1.00 0.00 C ATOM 1643 C TYR A 101 7.208 3.612 -1.872 1.00 0.00 C ATOM 1644 O TYR A 101 6.342 4.064 -1.090 1.00 0.00 O ATOM 1645 CB TYR A 101 6.529 2.345 -3.959 1.00 0.00 C ATOM 1646 CG TYR A 101 6.920 1.172 -4.842 1.00 0.00 C ATOM 1647 CD1 TYR A 101 6.417 -0.114 -4.575 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.773 1.367 -5.944 1.00 0.00 C ATOM 1649 CE1 TYR A 101 6.791 -1.204 -5.379 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.145 0.279 -6.752 1.00 0.00 C ATOM 1651 CZ TYR A 101 7.659 -1.008 -6.467 1.00 0.00 C ATOM 1652 OH TYR A 101 8.024 -2.062 -7.253 1.00 0.00 O ATOM 1653 OXT TYR A 101 8.255 4.208 -2.204 1.00 0.00 O ATOM 0 H TYR A 101 5.088 1.349 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 101 7.914 1.679 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.445 2.457 -3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.955 3.256 -4.380 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.740 -0.265 -3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.143 2.356 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.412 -2.192 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.805 0.432 -7.593 1.00 0.00 H new ATOM 0 HH TYR A 101 8.627 -1.750 -7.960 1.00 0.00 H new TER 1663 TYR A 101