USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 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 177:sc= 0 (180deg=-0.0139) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -122:sc= 0.115 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.0398 (180deg=-0.841) USER MOD Single : A 16 MET CE :methyl -127:sc= -0.0307 (180deg=-1.48) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.588 K(o=-0.59,f=-3.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.39 K(o=-3.4,f=-6!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0962) USER MOD Single : A 45 TYR OH : rot 149:sc= 0.695 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0359 K(o=-0.036,f=-2) USER MOD Single : A 53 SER OG : rot -168:sc= 1.52 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -55:sc= 0.575 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00911) USER MOD Single : A 74 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) 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+ -110:sc= -0.0565 (180deg=-1.09) 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 -14.841 -57.305 0.396 1.00 0.00 N ATOM 2 CA GLY A -1 -15.155 -55.866 0.341 1.00 0.00 C ATOM 3 C GLY A -1 -14.038 -55.014 0.940 1.00 0.00 C ATOM 4 O GLY A -1 -12.966 -55.531 1.251 1.00 0.00 O ATOM 0 H1 GLY A -1 -14.859 -57.701 -0.565 1.00 0.00 H new ATOM 0 H2 GLY A -1 -13.895 -57.438 0.808 1.00 0.00 H new ATOM 0 H3 GLY A -1 -15.547 -57.792 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -15.321 -55.570 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -16.084 -55.677 0.879 1.00 0.00 H new ATOM 10 N SER A 0 -14.296 -53.712 1.104 1.00 0.00 N ATOM 11 CA SER A 0 -13.363 -52.765 1.701 1.00 0.00 C ATOM 12 C SER A 0 -14.140 -51.565 2.246 1.00 0.00 C ATOM 13 O SER A 0 -15.242 -51.277 1.782 1.00 0.00 O ATOM 14 CB SER A 0 -12.312 -52.332 0.671 1.00 0.00 C ATOM 15 OG SER A 0 -12.925 -51.728 -0.450 1.00 0.00 O ATOM 0 H SER A 0 -15.177 -53.284 0.818 1.00 0.00 H new ATOM 0 HA SER A 0 -12.835 -53.240 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 0 -11.614 -51.632 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 0 -11.732 -53.198 0.351 1.00 0.00 H new ATOM 0 HG SER A 0 -12.237 -51.458 -1.093 1.00 0.00 H new ATOM 21 N MET A 1 -13.561 -50.884 3.241 1.00 0.00 N ATOM 22 CA MET A 1 -14.172 -49.742 3.912 1.00 0.00 C ATOM 23 C MET A 1 -13.090 -48.892 4.588 1.00 0.00 C ATOM 24 O MET A 1 -13.242 -48.473 5.733 1.00 0.00 O ATOM 25 CB MET A 1 -15.262 -50.229 4.886 1.00 0.00 C ATOM 26 CG MET A 1 -14.758 -51.264 5.904 1.00 0.00 C ATOM 27 SD MET A 1 -16.005 -51.836 7.092 1.00 0.00 S ATOM 28 CE MET A 1 -17.010 -52.900 6.025 1.00 0.00 C ATOM 0 H MET A 1 -12.638 -51.119 3.606 1.00 0.00 H new ATOM 0 HA MET A 1 -14.666 -49.097 3.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.668 -49.371 5.423 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.081 -50.664 4.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.371 -52.127 5.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.922 -50.833 6.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.793 -53.374 6.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.464 -52.300 5.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.378 -53.668 5.578 1.00 0.00 H new ATOM 38 N LYS A 2 -11.993 -48.645 3.860 1.00 0.00 N ATOM 39 CA LYS A 2 -10.820 -47.925 4.344 1.00 0.00 C ATOM 40 C LYS A 2 -10.541 -46.681 3.492 1.00 0.00 C ATOM 41 O LYS A 2 -9.385 -46.310 3.299 1.00 0.00 O ATOM 42 CB LYS A 2 -9.619 -48.887 4.392 1.00 0.00 C ATOM 43 CG LYS A 2 -9.326 -49.545 3.037 1.00 0.00 C ATOM 44 CD LYS A 2 -7.987 -50.291 3.085 1.00 0.00 C ATOM 45 CE LYS A 2 -7.693 -51.034 1.774 1.00 0.00 C ATOM 46 NZ LYS A 2 -7.554 -50.102 0.670 1.00 0.00 N ATOM 0 H LYS A 2 -11.900 -48.951 2.892 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.007 -47.562 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.736 -48.341 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.811 -49.663 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.127 -50.238 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.299 -48.786 2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.184 -49.582 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.999 -51.003 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.779 -51.618 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.498 -51.738 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.207 -50.608 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.478 -49.673 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.877 -49.356 0.929 1.00 0.00 H new ATOM 59 N LYS A 3 -11.598 -46.026 2.993 1.00 0.00 N ATOM 60 CA LYS A 3 -11.483 -44.762 2.279 1.00 0.00 C ATOM 61 C LYS A 3 -11.466 -43.625 3.300 1.00 0.00 C ATOM 62 O LYS A 3 -12.302 -43.597 4.203 1.00 0.00 O ATOM 63 CB LYS A 3 -12.595 -44.630 1.224 1.00 0.00 C ATOM 64 CG LYS A 3 -14.020 -44.492 1.782 1.00 0.00 C ATOM 65 CD LYS A 3 -14.466 -43.024 1.859 1.00 0.00 C ATOM 66 CE LYS A 3 -15.857 -42.927 2.493 1.00 0.00 C ATOM 67 NZ LYS A 3 -16.283 -41.542 2.538 1.00 0.00 N ATOM 0 H LYS A 3 -12.556 -46.365 3.077 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.548 -44.717 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.381 -43.761 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.561 -45.504 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.712 -45.049 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.065 -44.938 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.750 -42.449 2.446 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.482 -42.588 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.570 -43.517 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.837 -43.343 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.228 -41.483 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.608 -40.990 3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.319 -41.158 1.572 1.00 0.00 H new ATOM 80 N TRP A 4 -10.482 -42.724 3.186 1.00 0.00 N ATOM 81 CA TRP A 4 -10.232 -41.666 4.155 1.00 0.00 C ATOM 82 C TRP A 4 -9.963 -40.358 3.415 1.00 0.00 C ATOM 83 O TRP A 4 -8.819 -39.919 3.309 1.00 0.00 O ATOM 84 CB TRP A 4 -9.072 -42.084 5.070 1.00 0.00 C ATOM 85 CG TRP A 4 -9.253 -43.398 5.774 1.00 0.00 C ATOM 86 CD1 TRP A 4 -8.449 -44.476 5.635 1.00 0.00 C ATOM 87 CD2 TRP A 4 -10.310 -43.813 6.691 1.00 0.00 C ATOM 88 NE1 TRP A 4 -8.929 -45.526 6.387 1.00 0.00 N ATOM 89 CE2 TRP A 4 -10.084 -45.174 7.055 1.00 0.00 C ATOM 90 CE3 TRP A 4 -11.446 -43.185 7.250 1.00 0.00 C ATOM 91 CZ2 TRP A 4 -10.938 -45.873 7.920 1.00 0.00 C ATOM 92 CZ3 TRP A 4 -12.313 -43.879 8.114 1.00 0.00 C ATOM 93 CH2 TRP A 4 -12.062 -45.221 8.450 1.00 0.00 C ATOM 0 H TRP A 4 -9.830 -42.715 2.402 1.00 0.00 H new ATOM 0 HA TRP A 4 -11.103 -41.503 4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.160 -42.132 4.475 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.923 -41.306 5.819 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.560 -44.509 5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.488 -46.444 6.443 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -11.653 -42.153 7.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -10.733 -46.902 8.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -13.178 -43.377 8.522 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -12.732 -45.748 9.113 1.00 0.00 H new ATOM 104 N SER A 5 -11.035 -39.747 2.894 1.00 0.00 N ATOM 105 CA SER A 5 -11.007 -38.489 2.160 1.00 0.00 C ATOM 106 C SER A 5 -11.944 -37.482 2.830 1.00 0.00 C ATOM 107 O SER A 5 -12.908 -37.873 3.488 1.00 0.00 O ATOM 108 CB SER A 5 -11.408 -38.739 0.701 1.00 0.00 C ATOM 109 OG SER A 5 -12.690 -39.329 0.622 1.00 0.00 O ATOM 0 H SER A 5 -11.975 -40.134 2.979 1.00 0.00 H new ATOM 0 HA SER A 5 -9.999 -38.073 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.403 -37.797 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.674 -39.390 0.225 1.00 0.00 H new ATOM 0 HG SER A 5 -12.925 -39.477 -0.318 1.00 0.00 H new ATOM 115 N ASP A 6 -11.654 -36.185 2.665 1.00 0.00 N ATOM 116 CA ASP A 6 -12.451 -35.099 3.212 1.00 0.00 C ATOM 117 C ASP A 6 -12.140 -33.799 2.466 1.00 0.00 C ATOM 118 O ASP A 6 -13.021 -33.235 1.822 1.00 0.00 O ATOM 119 CB ASP A 6 -12.203 -34.966 4.723 1.00 0.00 C ATOM 120 CG ASP A 6 -13.000 -33.812 5.326 1.00 0.00 C ATOM 121 OD1 ASP A 6 -12.404 -32.899 5.894 1.00 0.00 O ATOM 122 OD2 ASP A 6 -14.354 -33.883 5.186 1.00 0.00 O ATOM 0 H ASP A 6 -10.843 -35.864 2.137 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.510 -35.318 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.477 -35.897 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.140 -34.808 4.905 1.00 0.00 H new ATOM 128 N THR A 7 -10.889 -33.333 2.560 1.00 0.00 N ATOM 129 CA THR A 7 -10.396 -32.124 1.912 1.00 0.00 C ATOM 130 C THR A 7 -8.961 -32.353 1.430 1.00 0.00 C ATOM 131 O THR A 7 -8.345 -33.367 1.757 1.00 0.00 O ATOM 132 CB THR A 7 -10.468 -30.932 2.884 1.00 0.00 C ATOM 133 OG1 THR A 7 -9.821 -31.257 4.098 1.00 0.00 O ATOM 134 CG2 THR A 7 -11.911 -30.507 3.172 1.00 0.00 C ATOM 0 H THR A 7 -10.172 -33.807 3.109 1.00 0.00 H new ATOM 0 HA THR A 7 -11.022 -31.892 1.050 1.00 0.00 H new ATOM 0 HB THR A 7 -9.963 -30.094 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.870 -30.493 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.911 -29.663 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.397 -30.214 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.454 -31.340 3.618 1.00 0.00 H new ATOM 142 N GLU A 8 -8.440 -31.403 0.642 1.00 0.00 N ATOM 143 CA GLU A 8 -7.083 -31.409 0.109 1.00 0.00 C ATOM 144 C GLU A 8 -6.493 -30.001 0.228 1.00 0.00 C ATOM 145 O GLU A 8 -7.227 -29.036 0.439 1.00 0.00 O ATOM 146 CB GLU A 8 -7.093 -31.864 -1.359 1.00 0.00 C ATOM 147 CG GLU A 8 -7.698 -33.262 -1.540 1.00 0.00 C ATOM 148 CD GLU A 8 -7.606 -33.720 -2.992 1.00 0.00 C ATOM 149 OE1 GLU A 8 -8.628 -33.788 -3.671 1.00 0.00 O ATOM 150 OE2 GLU A 8 -6.357 -34.032 -3.442 1.00 0.00 O ATOM 0 H GLU A 8 -8.975 -30.584 0.352 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.469 -32.107 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.660 -31.147 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.073 -31.861 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.177 -33.972 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.741 -33.253 -1.224 1.00 0.00 H new ATOM 158 N VAL A 9 -5.166 -29.895 0.077 1.00 0.00 N ATOM 159 CA VAL A 9 -4.420 -28.642 0.086 1.00 0.00 C ATOM 160 C VAL A 9 -3.758 -28.456 -1.282 1.00 0.00 C ATOM 161 O VAL A 9 -3.078 -29.359 -1.767 1.00 0.00 O ATOM 162 CB VAL A 9 -3.417 -28.625 1.257 1.00 0.00 C ATOM 163 CG1 VAL A 9 -2.397 -29.774 1.224 1.00 0.00 C ATOM 164 CG2 VAL A 9 -2.673 -27.286 1.319 1.00 0.00 C ATOM 0 H VAL A 9 -4.568 -30.710 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.086 -27.795 0.249 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.021 -28.764 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.728 -29.691 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.922 -30.728 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.816 -29.719 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.971 -27.298 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.128 -27.129 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.390 -26.477 1.460 1.00 0.00 H new ATOM 174 N PHE A 10 -4.006 -27.307 -1.922 1.00 0.00 N ATOM 175 CA PHE A 10 -3.556 -27.007 -3.273 1.00 0.00 C ATOM 176 C PHE A 10 -3.086 -25.550 -3.317 1.00 0.00 C ATOM 177 O PHE A 10 -1.962 -25.263 -2.907 1.00 0.00 O ATOM 178 CB PHE A 10 -4.652 -27.392 -4.292 1.00 0.00 C ATOM 179 CG PHE A 10 -6.103 -27.187 -3.869 1.00 0.00 C ATOM 180 CD1 PHE A 10 -6.728 -28.141 -3.040 1.00 0.00 C ATOM 181 CD2 PHE A 10 -6.869 -26.126 -4.392 1.00 0.00 C ATOM 182 CE1 PHE A 10 -8.071 -27.979 -2.657 1.00 0.00 C ATOM 183 CE2 PHE A 10 -8.212 -25.962 -4.007 1.00 0.00 C ATOM 184 CZ PHE A 10 -8.810 -26.882 -3.129 1.00 0.00 C ATOM 0 H PHE A 10 -4.538 -26.547 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.694 -27.608 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.482 -26.818 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.520 -28.443 -4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.172 -29.001 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.423 -25.435 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.535 -28.699 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.784 -25.128 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 10 -9.835 -26.746 -2.818 1.00 0.00 H new ATOM 194 N GLU A 11 -3.940 -24.634 -3.784 1.00 0.00 N ATOM 195 CA GLU A 11 -3.716 -23.197 -3.821 1.00 0.00 C ATOM 196 C GLU A 11 -4.867 -22.521 -3.078 1.00 0.00 C ATOM 197 O GLU A 11 -6.022 -22.913 -3.246 1.00 0.00 O ATOM 198 CB GLU A 11 -3.577 -22.675 -5.263 1.00 0.00 C ATOM 199 CG GLU A 11 -4.648 -23.152 -6.257 1.00 0.00 C ATOM 200 CD GLU A 11 -4.381 -24.532 -6.861 1.00 0.00 C ATOM 201 OE1 GLU A 11 -3.287 -25.072 -6.720 1.00 0.00 O ATOM 202 OE2 GLU A 11 -5.423 -25.083 -7.548 1.00 0.00 O ATOM 0 H GLU A 11 -4.850 -24.894 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.772 -22.959 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.593 -21.585 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.599 -22.971 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.613 -23.171 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.726 -22.424 -7.065 1.00 0.00 H new ATOM 210 N MET A 12 -4.545 -21.532 -2.237 1.00 0.00 N ATOM 211 CA MET A 12 -5.512 -20.799 -1.431 1.00 0.00 C ATOM 212 C MET A 12 -5.141 -19.316 -1.404 1.00 0.00 C ATOM 213 O MET A 12 -3.962 -18.973 -1.456 1.00 0.00 O ATOM 214 CB MET A 12 -5.578 -21.362 -0.003 1.00 0.00 C ATOM 215 CG MET A 12 -5.854 -22.872 0.025 1.00 0.00 C ATOM 216 SD MET A 12 -6.090 -23.588 1.675 1.00 0.00 S ATOM 217 CE MET A 12 -7.806 -23.102 1.994 1.00 0.00 C ATOM 0 H MET A 12 -3.585 -21.217 -2.099 1.00 0.00 H new ATOM 0 HA MET A 12 -6.498 -20.914 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.636 -21.159 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.360 -20.843 0.552 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.745 -23.073 -0.571 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.024 -23.385 -0.460 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.111 -23.466 2.975 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.887 -22.015 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.454 -23.532 1.230 1.00 0.00 H new ATOM 227 N LEU A 13 -6.176 -18.472 -1.319 1.00 0.00 N ATOM 228 CA LEU A 13 -6.161 -17.013 -1.293 1.00 0.00 C ATOM 229 C LEU A 13 -5.567 -16.374 -2.555 1.00 0.00 C ATOM 230 O LEU A 13 -4.660 -16.915 -3.184 1.00 0.00 O ATOM 231 CB LEU A 13 -5.670 -16.466 0.060 1.00 0.00 C ATOM 232 CG LEU A 13 -4.180 -16.127 0.232 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.827 -14.774 -0.393 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.882 -16.037 1.733 1.00 0.00 C ATOM 0 H LEU A 13 -7.129 -18.830 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.195 -16.674 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.240 -15.562 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.931 -17.197 0.825 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.595 -16.903 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.765 -14.573 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.051 -14.796 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.413 -13.989 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.829 -15.797 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.498 -15.257 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.106 -16.993 2.206 1.00 0.00 H new ATOM 246 N LYS A 14 -6.139 -15.231 -2.952 1.00 0.00 N ATOM 247 CA LYS A 14 -5.925 -14.589 -4.246 1.00 0.00 C ATOM 248 C LYS A 14 -5.490 -13.133 -4.066 1.00 0.00 C ATOM 249 O LYS A 14 -5.483 -12.623 -2.948 1.00 0.00 O ATOM 250 CB LYS A 14 -7.213 -14.720 -5.073 1.00 0.00 C ATOM 251 CG LYS A 14 -8.390 -13.946 -4.473 1.00 0.00 C ATOM 252 CD LYS A 14 -8.555 -12.557 -5.094 1.00 0.00 C ATOM 253 CE LYS A 14 -9.149 -11.556 -4.103 1.00 0.00 C ATOM 254 NZ LYS A 14 -8.198 -11.232 -3.056 1.00 0.00 N ATOM 0 H LYS A 14 -6.786 -14.713 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.115 -15.082 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.027 -14.360 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.481 -15.773 -5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.307 -14.517 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.244 -13.845 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.586 -12.196 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.199 -12.626 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.439 -10.647 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.055 -11.971 -3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.298 -10.231 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.381 -11.828 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.232 -11.405 -3.399 1.00 0.00 H new ATOM 267 N ARG A 15 -5.131 -12.468 -5.173 1.00 0.00 N ATOM 268 CA ARG A 15 -4.726 -11.066 -5.164 1.00 0.00 C ATOM 269 C ARG A 15 -5.871 -10.155 -5.611 1.00 0.00 C ATOM 270 O ARG A 15 -6.433 -10.320 -6.695 1.00 0.00 O ATOM 271 CB ARG A 15 -3.438 -10.821 -5.971 1.00 0.00 C ATOM 272 CG ARG A 15 -3.618 -10.812 -7.492 1.00 0.00 C ATOM 273 CD ARG A 15 -2.277 -10.626 -8.212 1.00 0.00 C ATOM 274 NE ARG A 15 -2.345 -11.178 -9.569 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.332 -11.234 -10.447 1.00 0.00 C ATOM 276 NH1 ARG A 15 -0.168 -10.622 -10.187 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.492 -11.921 -11.586 1.00 0.00 N ATOM 0 H ARG A 15 -5.115 -12.894 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.489 -10.807 -4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.012 -9.865 -5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.712 -11.591 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.078 -11.747 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.299 -10.009 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.024 -9.567 -8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.484 -11.120 -7.651 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.244 -11.553 -9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.046 -10.107 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.596 -10.671 -10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.376 -12.393 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.730 -11.972 -12.262 1.00 0.00 H new ATOM 291 N MET A 16 -6.169 -9.149 -4.790 1.00 0.00 N ATOM 292 CA MET A 16 -6.783 -7.920 -5.256 1.00 0.00 C ATOM 293 C MET A 16 -5.772 -7.187 -6.135 1.00 0.00 C ATOM 294 O MET A 16 -4.565 -7.408 -6.039 1.00 0.00 O ATOM 295 CB MET A 16 -7.209 -7.084 -4.052 1.00 0.00 C ATOM 296 CG MET A 16 -7.990 -5.814 -4.406 1.00 0.00 C ATOM 297 SD MET A 16 -8.438 -4.834 -2.958 1.00 0.00 S ATOM 298 CE MET A 16 -6.825 -4.090 -2.633 1.00 0.00 C ATOM 0 H MET A 16 -5.990 -9.169 -3.786 1.00 0.00 H new ATOM 0 HA MET A 16 -7.676 -8.120 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.822 -7.701 -3.395 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.320 -6.803 -3.487 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.391 -5.202 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.896 -6.090 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.544 -4.270 -1.595 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.080 -4.534 -3.293 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.876 -3.016 -2.814 1.00 0.00 H new ATOM 308 N TYR A 17 -6.288 -6.306 -6.986 1.00 0.00 N ATOM 309 CA TYR A 17 -5.501 -5.344 -7.736 1.00 0.00 C ATOM 310 C TYR A 17 -6.328 -4.070 -7.859 1.00 0.00 C ATOM 311 O TYR A 17 -7.187 -3.972 -8.732 1.00 0.00 O ATOM 312 CB TYR A 17 -5.073 -5.923 -9.095 1.00 0.00 C ATOM 313 CG TYR A 17 -4.600 -4.890 -10.104 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.795 -3.808 -9.694 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.128 -4.906 -11.410 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.599 -2.713 -10.552 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.923 -3.813 -12.270 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.172 -2.708 -11.835 1.00 0.00 C ATOM 319 OH TYR A 17 -3.998 -1.629 -12.651 1.00 0.00 O ATOM 0 H TYR A 17 -7.288 -6.243 -7.175 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.570 -5.110 -7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.272 -6.644 -8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.913 -6.470 -9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.329 -3.821 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.692 -5.761 -11.752 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.006 -1.872 -10.224 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.343 -3.823 -13.265 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.457 -1.785 -13.503 1.00 0.00 H new ATOM 329 N ALA A 18 -6.065 -3.104 -6.970 1.00 0.00 N ATOM 330 CA ALA A 18 -6.767 -1.836 -6.923 1.00 0.00 C ATOM 331 C ALA A 18 -5.841 -0.687 -7.298 1.00 0.00 C ATOM 332 O ALA A 18 -4.872 -0.396 -6.598 1.00 0.00 O ATOM 333 CB ALA A 18 -7.396 -1.623 -5.554 1.00 0.00 C ATOM 0 H ALA A 18 -5.343 -3.193 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.571 -1.860 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.918 -0.666 -5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.104 -2.426 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.617 -1.624 -4.792 1.00 0.00 H new ATOM 339 N ARG A 19 -6.175 -0.033 -8.411 1.00 0.00 N ATOM 340 CA ARG A 19 -5.472 1.114 -8.948 1.00 0.00 C ATOM 341 C ARG A 19 -6.163 2.379 -8.444 1.00 0.00 C ATOM 342 O ARG A 19 -7.278 2.676 -8.873 1.00 0.00 O ATOM 343 CB ARG A 19 -5.495 1.023 -10.478 1.00 0.00 C ATOM 344 CG ARG A 19 -4.633 2.091 -11.149 1.00 0.00 C ATOM 345 CD ARG A 19 -3.141 1.863 -10.904 1.00 0.00 C ATOM 346 NE ARG A 19 -2.368 2.854 -11.656 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.299 2.651 -12.444 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.770 1.432 -12.617 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.759 3.704 -13.071 1.00 0.00 N ATOM 0 H ARG A 19 -6.976 -0.305 -8.980 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.432 1.139 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.146 0.037 -10.784 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.523 1.120 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.828 2.092 -12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.916 3.074 -10.772 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.919 1.944 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.860 0.856 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.681 3.821 -11.571 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.180 0.627 -12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.042 1.310 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.160 4.633 -12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.053 3.577 -13.675 1.00 0.00 H new ATOM 363 N VAL A 20 -5.522 3.101 -7.517 1.00 0.00 N ATOM 364 CA VAL A 20 -6.132 4.241 -6.845 1.00 0.00 C ATOM 365 C VAL A 20 -5.775 5.517 -7.608 1.00 0.00 C ATOM 366 O VAL A 20 -4.629 5.963 -7.569 1.00 0.00 O ATOM 367 CB VAL A 20 -5.690 4.294 -5.372 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.547 5.304 -4.597 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.824 2.920 -4.704 1.00 0.00 C ATOM 0 H VAL A 20 -4.567 2.907 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.217 4.141 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.644 4.599 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.224 5.332 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.432 6.294 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.594 5.005 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.505 2.988 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.864 2.596 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.199 2.198 -5.229 1.00 0.00 H new ATOM 379 N TYR A 21 -6.761 6.092 -8.308 1.00 0.00 N ATOM 380 CA TYR A 21 -6.608 7.321 -9.078 1.00 0.00 C ATOM 381 C TYR A 21 -7.043 8.524 -8.246 1.00 0.00 C ATOM 382 O TYR A 21 -7.970 8.423 -7.444 1.00 0.00 O ATOM 383 CB TYR A 21 -7.440 7.268 -10.364 1.00 0.00 C ATOM 384 CG TYR A 21 -7.020 6.198 -11.352 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.065 6.495 -12.341 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.601 4.917 -11.305 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.708 5.523 -13.289 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.253 3.950 -12.263 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.325 4.260 -13.270 1.00 0.00 C ATOM 390 OH TYR A 21 -6.015 3.340 -14.228 1.00 0.00 O ATOM 0 H TYR A 21 -7.703 5.704 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.555 7.421 -9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.484 7.106 -10.097 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.384 8.239 -10.856 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.606 7.472 -12.371 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.315 4.677 -10.531 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.958 5.746 -14.034 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.700 2.967 -12.225 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.527 2.519 -14.071 1.00 0.00 H new ATOM 400 N GLY A 22 -6.390 9.667 -8.487 1.00 0.00 N ATOM 401 CA GLY A 22 -6.715 10.939 -7.869 1.00 0.00 C ATOM 402 C GLY A 22 -5.454 11.727 -7.550 1.00 0.00 C ATOM 403 O GLY A 22 -4.374 11.407 -8.044 1.00 0.00 O ATOM 0 H GLY A 22 -5.604 9.725 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.352 11.520 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.283 10.769 -6.954 1.00 0.00 H new ATOM 407 N LEU A 23 -5.593 12.715 -6.657 1.00 0.00 N ATOM 408 CA LEU A 23 -4.464 13.419 -6.061 1.00 0.00 C ATOM 409 C LEU A 23 -3.885 12.616 -4.880 1.00 0.00 C ATOM 410 O LEU A 23 -3.195 13.164 -4.024 1.00 0.00 O ATOM 411 CB LEU A 23 -4.918 14.831 -5.666 1.00 0.00 C ATOM 412 CG LEU A 23 -3.775 15.850 -5.496 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.228 16.315 -6.852 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.292 17.067 -4.720 1.00 0.00 C ATOM 0 H LEU A 23 -6.500 13.046 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.651 13.517 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.607 15.202 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.475 14.771 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.967 15.363 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.423 17.033 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.845 15.457 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.027 16.786 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.486 17.790 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.112 17.528 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.646 16.750 -3.739 1.00 0.00 H new ATOM 426 N VAL A 24 -4.167 11.306 -4.833 1.00 0.00 N ATOM 427 CA VAL A 24 -3.726 10.390 -3.787 1.00 0.00 C ATOM 428 C VAL A 24 -2.204 10.209 -3.759 1.00 0.00 C ATOM 429 O VAL A 24 -1.664 9.701 -2.776 1.00 0.00 O ATOM 430 CB VAL A 24 -4.458 9.046 -3.930 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.965 9.234 -3.718 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.203 8.401 -5.297 1.00 0.00 C ATOM 0 H VAL A 24 -4.728 10.846 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.986 10.833 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.064 8.378 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.470 8.274 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.145 9.632 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.353 9.930 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.738 7.453 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.555 9.067 -6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.135 8.223 -5.422 1.00 0.00 H new ATOM 442 N GLN A 25 -1.513 10.631 -4.823 1.00 0.00 N ATOM 443 CA GLN A 25 -0.065 10.660 -4.886 1.00 0.00 C ATOM 444 C GLN A 25 0.475 11.670 -3.868 1.00 0.00 C ATOM 445 O GLN A 25 0.202 12.865 -3.969 1.00 0.00 O ATOM 446 CB GLN A 25 0.382 10.993 -6.316 1.00 0.00 C ATOM 447 CG GLN A 25 1.219 9.857 -6.909 1.00 0.00 C ATOM 448 CD GLN A 25 0.456 8.547 -7.122 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.745 8.449 -6.884 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.179 7.529 -7.583 1.00 0.00 N ATOM 0 H GLN A 25 -1.961 10.966 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 25 0.341 9.681 -4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.493 11.170 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.964 11.915 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.626 10.185 -7.866 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.066 9.666 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.174 7.653 -7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.738 6.625 -7.752 1.00 0.00 H new ATOM 459 N GLY A 26 1.243 11.175 -2.892 1.00 0.00 N ATOM 460 CA GLY A 26 1.948 11.991 -1.917 1.00 0.00 C ATOM 461 C GLY A 26 1.016 12.688 -0.924 1.00 0.00 C ATOM 462 O GLY A 26 1.177 13.879 -0.672 1.00 0.00 O ATOM 0 H GLY A 26 1.390 10.174 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.649 11.363 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.537 12.743 -2.441 1.00 0.00 H new ATOM 466 N VAL A 27 0.081 11.936 -0.327 1.00 0.00 N ATOM 467 CA VAL A 27 -0.691 12.365 0.838 1.00 0.00 C ATOM 468 C VAL A 27 -0.740 11.219 1.854 1.00 0.00 C ATOM 469 O VAL A 27 -0.017 10.232 1.714 1.00 0.00 O ATOM 470 CB VAL A 27 -2.095 12.866 0.434 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.026 14.011 -0.586 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.994 11.747 -0.103 1.00 0.00 C ATOM 0 H VAL A 27 -0.161 10.999 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.200 13.217 1.308 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.543 13.243 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.036 14.332 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.477 14.849 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.516 13.667 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.967 12.159 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.533 11.302 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.122 10.983 0.664 1.00 0.00 H new ATOM 482 N GLY A 28 -1.606 11.347 2.867 1.00 0.00 N ATOM 483 CA GLY A 28 -1.878 10.313 3.854 1.00 0.00 C ATOM 484 C GLY A 28 -2.598 9.122 3.217 1.00 0.00 C ATOM 485 O GLY A 28 -3.813 8.984 3.343 1.00 0.00 O ATOM 0 H GLY A 28 -2.147 12.198 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.943 9.979 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.489 10.724 4.658 1.00 0.00 H new ATOM 489 N PHE A 29 -1.828 8.265 2.536 1.00 0.00 N ATOM 490 CA PHE A 29 -2.284 7.036 1.904 1.00 0.00 C ATOM 491 C PHE A 29 -1.078 6.106 1.717 1.00 0.00 C ATOM 492 O PHE A 29 0.012 6.425 2.191 1.00 0.00 O ATOM 493 CB PHE A 29 -2.977 7.370 0.571 1.00 0.00 C ATOM 494 CG PHE A 29 -3.738 6.215 -0.063 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.674 5.484 0.697 1.00 0.00 C ATOM 496 CD2 PHE A 29 -3.354 5.740 -1.330 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.198 4.277 0.203 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.852 4.516 -1.807 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.765 3.779 -1.034 1.00 0.00 C ATOM 0 H PHE A 29 -0.828 8.422 2.409 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.016 6.523 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.670 8.196 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.224 7.721 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.989 5.853 1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.674 6.318 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.934 3.733 0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.533 4.141 -2.768 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.133 2.829 -1.393 1.00 0.00 H new ATOM 509 N ARG A 30 -1.275 4.962 1.043 1.00 0.00 N ATOM 510 CA ARG A 30 -0.266 3.963 0.714 1.00 0.00 C ATOM 511 C ARG A 30 0.111 3.185 1.972 1.00 0.00 C ATOM 512 O ARG A 30 -0.320 2.049 2.150 1.00 0.00 O ATOM 513 CB ARG A 30 0.948 4.592 0.004 1.00 0.00 C ATOM 514 CG ARG A 30 1.888 3.518 -0.558 1.00 0.00 C ATOM 515 CD ARG A 30 3.228 4.129 -0.977 1.00 0.00 C ATOM 516 NE ARG A 30 4.024 4.544 0.186 1.00 0.00 N ATOM 517 CZ ARG A 30 5.288 5.002 0.134 1.00 0.00 C ATOM 518 NH1 ARG A 30 5.963 5.035 -1.021 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.880 5.431 1.256 1.00 0.00 N ATOM 0 H ARG A 30 -2.198 4.702 0.697 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.682 3.254 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.604 5.236 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.493 5.224 0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.055 2.746 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.421 3.033 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.791 3.403 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.050 4.990 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 30 3.584 4.480 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.520 4.710 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.921 5.385 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.373 5.409 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.838 5.780 1.226 1.00 0.00 H new ATOM 533 N LYS A 31 0.867 3.829 2.866 1.00 0.00 N ATOM 534 CA LYS A 31 1.197 3.312 4.181 1.00 0.00 C ATOM 535 C LYS A 31 -0.079 2.993 4.963 1.00 0.00 C ATOM 536 O LYS A 31 -0.118 2.008 5.688 1.00 0.00 O ATOM 537 CB LYS A 31 2.036 4.352 4.922 1.00 0.00 C ATOM 538 CG LYS A 31 2.668 3.775 6.194 1.00 0.00 C ATOM 539 CD LYS A 31 3.520 4.838 6.891 1.00 0.00 C ATOM 540 CE LYS A 31 4.088 4.289 8.202 1.00 0.00 C ATOM 541 NZ LYS A 31 4.927 5.287 8.837 1.00 0.00 N ATOM 0 H LYS A 31 1.273 4.747 2.683 1.00 0.00 H new ATOM 0 HA LYS A 31 1.768 2.389 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.821 4.722 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.410 5.205 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.888 3.424 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.284 2.912 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.334 5.148 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.917 5.724 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.274 4.008 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.667 3.386 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.308 4.905 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.712 5.535 8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.363 6.137 9.039 1.00 0.00 H new ATOM 554 N PHE A 32 -1.124 3.813 4.806 1.00 0.00 N ATOM 555 CA PHE A 32 -2.448 3.581 5.385 1.00 0.00 C ATOM 556 C PHE A 32 -2.944 2.151 5.116 1.00 0.00 C ATOM 557 O PHE A 32 -3.386 1.457 6.031 1.00 0.00 O ATOM 558 CB PHE A 32 -3.426 4.617 4.811 1.00 0.00 C ATOM 559 CG PHE A 32 -4.807 4.737 5.444 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.186 4.000 6.586 1.00 0.00 C ATOM 561 CD2 PHE A 32 -5.704 5.683 4.912 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.453 4.181 7.164 1.00 0.00 C ATOM 563 CE2 PHE A 32 -6.952 5.897 5.518 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.337 5.136 6.634 1.00 0.00 C ATOM 0 H PHE A 32 -1.070 4.674 4.261 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.385 3.692 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.947 5.594 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.564 4.393 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.496 3.291 7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.430 6.247 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.748 3.586 8.016 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.619 6.650 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.308 5.284 7.083 1.00 0.00 H new ATOM 574 N VAL A 33 -2.847 1.697 3.860 1.00 0.00 N ATOM 575 CA VAL A 33 -3.206 0.331 3.489 1.00 0.00 C ATOM 576 C VAL A 33 -2.361 -0.674 4.272 1.00 0.00 C ATOM 577 O VAL A 33 -2.869 -1.713 4.695 1.00 0.00 O ATOM 578 CB VAL A 33 -3.075 0.121 1.969 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.498 -1.301 1.577 1.00 0.00 C ATOM 580 CG2 VAL A 33 -3.935 1.126 1.192 1.00 0.00 C ATOM 0 H VAL A 33 -2.519 2.266 3.080 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.251 0.163 3.750 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.027 0.275 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.397 -1.426 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.861 -2.024 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.536 -1.464 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.821 0.952 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.981 1.001 1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.615 2.140 1.431 1.00 0.00 H new ATOM 590 N GLN A 34 -1.085 -0.343 4.489 1.00 0.00 N ATOM 591 CA GLN A 34 -0.165 -1.181 5.235 1.00 0.00 C ATOM 592 C GLN A 34 -0.577 -1.265 6.698 1.00 0.00 C ATOM 593 O GLN A 34 -0.670 -2.378 7.184 1.00 0.00 O ATOM 594 CB GLN A 34 1.300 -0.770 5.031 1.00 0.00 C ATOM 595 CG GLN A 34 1.898 -1.428 3.788 1.00 0.00 C ATOM 596 CD GLN A 34 1.112 -1.061 2.539 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.404 -0.075 1.875 1.00 0.00 O ATOM 598 NE2 GLN A 34 0.086 -1.851 2.236 1.00 0.00 N ATOM 0 H GLN A 34 -0.666 0.522 4.146 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.228 -2.192 4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.365 0.314 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.883 -1.050 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.936 -1.116 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.902 -2.511 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.122 -2.663 2.817 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.493 -1.645 1.422 1.00 0.00 H new ATOM 607 N ILE A 35 -0.857 -0.155 7.395 1.00 0.00 N ATOM 608 CA ILE A 35 -1.280 -0.189 8.798 1.00 0.00 C ATOM 609 C ILE A 35 -2.318 -1.282 9.041 1.00 0.00 C ATOM 610 O ILE A 35 -2.126 -2.126 9.911 1.00 0.00 O ATOM 611 CB ILE A 35 -1.846 1.178 9.240 1.00 0.00 C ATOM 612 CG1 ILE A 35 -0.854 2.347 9.100 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.373 1.105 10.684 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.461 2.150 9.856 1.00 0.00 C ATOM 0 H ILE A 35 -0.797 0.785 7.003 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.396 -0.414 9.395 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.665 1.390 8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.633 2.496 8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.332 3.259 9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.768 2.078 10.977 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.165 0.359 10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.560 0.826 11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.102 3.019 9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.255 2.033 10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.965 1.258 9.483 1.00 0.00 H new ATOM 626 N HIS A 36 -3.400 -1.278 8.256 1.00 0.00 N ATOM 627 CA HIS A 36 -4.471 -2.247 8.405 1.00 0.00 C ATOM 628 C HIS A 36 -3.969 -3.644 8.039 1.00 0.00 C ATOM 629 O HIS A 36 -4.119 -4.570 8.830 1.00 0.00 O ATOM 630 CB HIS A 36 -5.692 -1.813 7.590 1.00 0.00 C ATOM 631 CG HIS A 36 -6.506 -0.751 8.291 1.00 0.00 C ATOM 632 ND1 HIS A 36 -7.867 -0.937 8.538 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.123 0.453 8.832 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.251 0.153 9.206 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.243 1.015 9.410 1.00 0.00 N ATOM 0 H HIS A 36 -3.550 -0.604 7.506 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.791 -2.291 9.446 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.363 -1.435 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.323 -2.681 7.396 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.131 0.879 8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.262 0.323 9.545 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.295 1.910 9.897 1.00 0.00 H new ATOM 643 N ALA A 37 -3.351 -3.795 6.863 1.00 0.00 N ATOM 644 CA ALA A 37 -2.836 -5.079 6.402 1.00 0.00 C ATOM 645 C ALA A 37 -1.917 -5.770 7.408 1.00 0.00 C ATOM 646 O ALA A 37 -2.023 -6.969 7.632 1.00 0.00 O ATOM 647 CB ALA A 37 -2.060 -4.869 5.105 1.00 0.00 C ATOM 0 H ALA A 37 -3.196 -3.029 6.208 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.702 -5.726 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.672 -5.825 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.722 -4.447 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.231 -4.184 5.284 1.00 0.00 H new ATOM 653 N ILE A 38 -1.002 -5.002 7.992 1.00 0.00 N ATOM 654 CA ILE A 38 -0.034 -5.431 8.984 1.00 0.00 C ATOM 655 C ILE A 38 -0.779 -5.789 10.271 1.00 0.00 C ATOM 656 O ILE A 38 -0.523 -6.845 10.847 1.00 0.00 O ATOM 657 CB ILE A 38 1.040 -4.329 9.139 1.00 0.00 C ATOM 658 CG1 ILE A 38 2.202 -4.552 8.148 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.602 -4.208 10.560 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.789 -4.584 6.668 1.00 0.00 C ATOM 0 H ILE A 38 -0.915 -4.010 7.770 1.00 0.00 H new ATOM 0 HA ILE A 38 0.501 -6.332 8.684 1.00 0.00 H new ATOM 0 HB ILE A 38 0.528 -3.393 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.938 -3.760 8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.695 -5.493 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.349 -3.415 10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.794 -3.971 11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.063 -5.152 10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.671 -4.745 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.078 -5.394 6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.325 -3.635 6.399 1.00 0.00 H new ATOM 672 N ARG A 39 -1.712 -4.932 10.705 1.00 0.00 N ATOM 673 CA ARG A 39 -2.460 -5.123 11.934 1.00 0.00 C ATOM 674 C ARG A 39 -3.233 -6.442 11.906 1.00 0.00 C ATOM 675 O ARG A 39 -3.298 -7.155 12.905 1.00 0.00 O ATOM 676 CB ARG A 39 -3.380 -3.907 12.113 1.00 0.00 C ATOM 677 CG ARG A 39 -4.106 -3.881 13.457 1.00 0.00 C ATOM 678 CD ARG A 39 -5.513 -4.478 13.363 1.00 0.00 C ATOM 679 NE ARG A 39 -6.166 -4.550 14.677 1.00 0.00 N ATOM 680 CZ ARG A 39 -6.793 -3.536 15.299 1.00 0.00 C ATOM 681 NH1 ARG A 39 -6.852 -2.318 14.744 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.366 -3.750 16.491 1.00 0.00 N ATOM 0 H ARG A 39 -1.964 -4.082 10.201 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.787 -5.193 12.789 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.789 -2.997 12.011 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.118 -3.899 11.311 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.525 -4.437 14.193 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.172 -2.853 13.813 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.120 -3.873 12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.455 -5.477 12.931 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.142 -5.448 15.160 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.417 -2.149 13.837 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.331 -1.559 15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.324 -4.675 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.844 -2.988 16.971 1.00 0.00 H new ATOM 696 N LEU A 40 -3.837 -6.730 10.749 1.00 0.00 N ATOM 697 CA LEU A 40 -4.796 -7.803 10.553 1.00 0.00 C ATOM 698 C LEU A 40 -4.116 -9.094 10.089 1.00 0.00 C ATOM 699 O LEU A 40 -4.319 -10.146 10.691 1.00 0.00 O ATOM 700 CB LEU A 40 -5.861 -7.331 9.563 1.00 0.00 C ATOM 701 CG LEU A 40 -6.636 -6.105 10.084 1.00 0.00 C ATOM 702 CD1 LEU A 40 -7.408 -5.488 8.921 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.609 -6.446 11.221 1.00 0.00 C ATOM 0 H LEU A 40 -3.660 -6.198 9.897 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.272 -8.041 11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.387 -7.083 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.560 -8.145 9.368 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.909 -5.404 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.963 -4.618 9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.709 -5.182 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.104 -6.222 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.123 -5.541 11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.341 -7.173 10.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.055 -6.867 12.060 1.00 0.00 H new ATOM 715 N GLY A 41 -3.316 -9.001 9.021 1.00 0.00 N ATOM 716 CA GLY A 41 -2.502 -10.087 8.483 1.00 0.00 C ATOM 717 C GLY A 41 -2.755 -10.333 6.992 1.00 0.00 C ATOM 718 O GLY A 41 -3.249 -11.396 6.622 1.00 0.00 O ATOM 0 H GLY A 41 -3.217 -8.135 8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.448 -9.855 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.711 -11.001 9.038 1.00 0.00 H new ATOM 722 N ILE A 42 -2.387 -9.366 6.139 1.00 0.00 N ATOM 723 CA ILE A 42 -2.466 -9.427 4.682 1.00 0.00 C ATOM 724 C ILE A 42 -1.091 -9.089 4.098 1.00 0.00 C ATOM 725 O ILE A 42 -0.354 -8.282 4.665 1.00 0.00 O ATOM 726 CB ILE A 42 -3.550 -8.452 4.180 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.964 -8.837 4.647 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.545 -8.288 2.656 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.510 -10.148 4.071 1.00 0.00 C ATOM 0 H ILE A 42 -2.008 -8.478 6.468 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.745 -10.429 4.356 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.287 -7.495 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.962 -8.910 5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.648 -8.031 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.329 -7.590 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.577 -7.902 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.725 -9.255 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.511 -10.328 4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.552 -10.078 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.855 -10.971 4.357 1.00 0.00 H new ATOM 741 N LYS A 43 -0.761 -9.708 2.959 1.00 0.00 N ATOM 742 CA LYS A 43 0.477 -9.495 2.211 1.00 0.00 C ATOM 743 C LYS A 43 0.154 -8.720 0.930 1.00 0.00 C ATOM 744 O LYS A 43 -1.016 -8.490 0.640 1.00 0.00 O ATOM 745 CB LYS A 43 1.131 -10.846 1.899 1.00 0.00 C ATOM 746 CG LYS A 43 1.314 -11.681 3.173 1.00 0.00 C ATOM 747 CD LYS A 43 2.155 -12.934 2.900 1.00 0.00 C ATOM 748 CE LYS A 43 2.274 -13.827 4.142 1.00 0.00 C ATOM 749 NZ LYS A 43 3.010 -13.150 5.195 1.00 0.00 N ATOM 0 H LYS A 43 -1.373 -10.395 2.519 1.00 0.00 H new ATOM 0 HA LYS A 43 1.183 -8.912 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.515 -11.395 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.099 -10.684 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.797 -11.076 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.339 -11.972 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.705 -13.503 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.151 -12.638 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.280 -14.093 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.778 -14.757 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.196 -13.816 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.913 -12.798 4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.449 -12.350 5.552 1.00 0.00 H new ATOM 762 N GLY A 44 1.165 -8.314 0.155 1.00 0.00 N ATOM 763 CA GLY A 44 0.933 -7.589 -1.090 1.00 0.00 C ATOM 764 C GLY A 44 2.096 -6.680 -1.463 1.00 0.00 C ATOM 765 O GLY A 44 3.239 -6.958 -1.107 1.00 0.00 O ATOM 0 H GLY A 44 2.149 -8.477 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.762 -8.303 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.026 -6.992 -0.995 1.00 0.00 H new ATOM 769 N TYR A 45 1.803 -5.577 -2.167 1.00 0.00 N ATOM 770 CA TYR A 45 2.775 -4.519 -2.404 1.00 0.00 C ATOM 771 C TYR A 45 2.063 -3.253 -2.893 1.00 0.00 C ATOM 772 O TYR A 45 1.084 -3.340 -3.633 1.00 0.00 O ATOM 773 CB TYR A 45 3.866 -4.967 -3.384 1.00 0.00 C ATOM 774 CG TYR A 45 5.237 -4.360 -3.164 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.522 -3.062 -3.625 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.244 -5.109 -2.526 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.789 -2.500 -3.397 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.519 -4.553 -2.326 1.00 0.00 C ATOM 779 CZ TYR A 45 7.778 -3.230 -2.719 1.00 0.00 C ATOM 780 OH TYR A 45 8.983 -2.651 -2.445 1.00 0.00 O ATOM 0 H TYR A 45 0.888 -5.401 -2.583 1.00 0.00 H new ATOM 0 HA TYR A 45 3.273 -4.291 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.956 -6.052 -3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.541 -4.726 -4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.768 -2.498 -4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.036 -6.114 -2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.004 -1.500 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.300 -5.143 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 45 9.344 -3.025 -1.614 1.00 0.00 H new ATOM 790 N ALA A 46 2.529 -2.093 -2.418 1.00 0.00 N ATOM 791 CA ALA A 46 1.847 -0.808 -2.562 1.00 0.00 C ATOM 792 C ALA A 46 2.716 0.159 -3.351 1.00 0.00 C ATOM 793 O ALA A 46 3.431 0.970 -2.767 1.00 0.00 O ATOM 794 CB ALA A 46 1.551 -0.244 -1.168 1.00 0.00 C ATOM 0 H ALA A 46 3.412 -2.023 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 46 0.911 -0.946 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.042 0.715 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.914 -0.940 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.486 -0.106 -0.625 1.00 0.00 H new ATOM 800 N LYS A 47 2.674 0.054 -4.680 1.00 0.00 N ATOM 801 CA LYS A 47 3.674 0.671 -5.530 1.00 0.00 C ATOM 802 C LYS A 47 3.199 2.032 -6.023 1.00 0.00 C ATOM 803 O LYS A 47 2.360 2.120 -6.918 1.00 0.00 O ATOM 804 CB LYS A 47 4.092 -0.307 -6.633 1.00 0.00 C ATOM 805 CG LYS A 47 4.929 0.310 -7.765 1.00 0.00 C ATOM 806 CD LYS A 47 5.354 -0.736 -8.805 1.00 0.00 C ATOM 807 CE LYS A 47 6.400 -1.719 -8.263 1.00 0.00 C ATOM 808 NZ LYS A 47 6.836 -2.607 -9.323 1.00 0.00 N ATOM 0 H LYS A 47 1.951 -0.457 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 47 4.580 0.883 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.662 -1.119 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.194 -0.749 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.353 1.095 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.816 0.782 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.476 -1.291 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.758 -0.228 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.253 -1.172 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.977 -2.298 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.545 -3.271 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.020 -3.140 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.256 -2.048 -10.093 1.00 0.00 H new ATOM 821 N ASN A 48 3.751 3.096 -5.427 1.00 0.00 N ATOM 822 CA ASN A 48 3.480 4.455 -5.851 1.00 0.00 C ATOM 823 C ASN A 48 4.304 4.764 -7.096 1.00 0.00 C ATOM 824 O ASN A 48 5.521 4.603 -7.088 1.00 0.00 O ATOM 825 CB ASN A 48 3.801 5.442 -4.723 1.00 0.00 C ATOM 826 CG ASN A 48 3.274 6.841 -5.027 1.00 0.00 C ATOM 827 OD1 ASN A 48 3.775 7.515 -5.923 1.00 0.00 O ATOM 828 ND2 ASN A 48 2.260 7.288 -4.284 1.00 0.00 N ATOM 0 H ASN A 48 4.396 3.028 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 48 2.422 4.558 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.364 5.084 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.880 5.485 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.876 8.218 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.869 6.700 -3.548 1.00 0.00 H new ATOM 835 N LEU A 49 3.626 5.216 -8.153 1.00 0.00 N ATOM 836 CA LEU A 49 4.216 5.728 -9.375 1.00 0.00 C ATOM 837 C LEU A 49 4.126 7.258 -9.291 1.00 0.00 C ATOM 838 O LEU A 49 3.064 7.795 -9.599 1.00 0.00 O ATOM 839 CB LEU A 49 3.401 5.176 -10.554 1.00 0.00 C ATOM 840 CG LEU A 49 3.374 3.637 -10.596 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.275 3.173 -11.557 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.721 3.041 -11.021 1.00 0.00 C ATOM 0 H LEU A 49 2.606 5.233 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 49 5.256 5.431 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.379 5.551 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.821 5.553 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 49 3.168 3.283 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.255 2.084 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.310 3.544 -11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.477 3.560 -12.556 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.650 1.953 -11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.980 3.400 -12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.493 3.345 -10.314 1.00 0.00 H new ATOM 854 N PRO A 50 5.164 7.969 -8.810 1.00 0.00 N ATOM 855 CA PRO A 50 5.037 9.326 -8.286 1.00 0.00 C ATOM 856 C PRO A 50 4.917 10.354 -9.412 1.00 0.00 C ATOM 857 O PRO A 50 5.867 11.063 -9.735 1.00 0.00 O ATOM 858 CB PRO A 50 6.276 9.530 -7.411 1.00 0.00 C ATOM 859 CG PRO A 50 7.329 8.692 -8.132 1.00 0.00 C ATOM 860 CD PRO A 50 6.518 7.481 -8.597 1.00 0.00 C ATOM 0 HA PRO A 50 4.126 9.464 -7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.563 10.580 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.113 9.186 -6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.773 9.230 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.145 8.405 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.932 7.062 -9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.535 6.688 -7.849 1.00 0.00 H new ATOM 868 N ASP A 51 3.714 10.409 -9.990 1.00 0.00 N ATOM 869 CA ASP A 51 3.311 11.182 -11.153 1.00 0.00 C ATOM 870 C ASP A 51 1.875 10.799 -11.524 1.00 0.00 C ATOM 871 O ASP A 51 1.065 11.676 -11.819 1.00 0.00 O ATOM 872 CB ASP A 51 4.262 10.971 -12.345 1.00 0.00 C ATOM 873 CG ASP A 51 4.384 9.513 -12.789 1.00 0.00 C ATOM 874 OD1 ASP A 51 3.688 9.104 -13.715 1.00 0.00 O ATOM 875 OD2 ASP A 51 5.291 8.749 -12.115 1.00 0.00 O ATOM 0 H ASP A 51 2.935 9.865 -9.619 1.00 0.00 H new ATOM 0 HA ASP A 51 3.360 12.242 -10.903 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.912 11.569 -13.187 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.251 11.344 -12.079 1.00 0.00 H new ATOM 881 N GLY A 52 1.566 9.493 -11.508 1.00 0.00 N ATOM 882 CA GLY A 52 0.284 8.941 -11.909 1.00 0.00 C ATOM 883 C GLY A 52 -0.539 8.506 -10.699 1.00 0.00 C ATOM 884 O GLY A 52 -0.903 9.335 -9.866 1.00 0.00 O ATOM 0 H GLY A 52 2.229 8.779 -11.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.271 9.685 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.444 8.088 -12.568 1.00 0.00 H new ATOM 888 N SER A 53 -0.861 7.208 -10.642 1.00 0.00 N ATOM 889 CA SER A 53 -1.823 6.614 -9.726 1.00 0.00 C ATOM 890 C SER A 53 -1.183 5.415 -9.023 1.00 0.00 C ATOM 891 O SER A 53 -0.654 4.521 -9.682 1.00 0.00 O ATOM 892 CB SER A 53 -3.073 6.203 -10.517 1.00 0.00 C ATOM 893 OG SER A 53 -2.733 5.647 -11.772 1.00 0.00 O ATOM 0 H SER A 53 -0.436 6.519 -11.263 1.00 0.00 H new ATOM 0 HA SER A 53 -2.119 7.332 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.648 5.478 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.714 7.072 -10.665 1.00 0.00 H new ATOM 0 HG SER A 53 -3.538 5.572 -12.326 1.00 0.00 H new ATOM 899 N VAL A 54 -1.215 5.415 -7.685 1.00 0.00 N ATOM 900 CA VAL A 54 -0.597 4.383 -6.861 1.00 0.00 C ATOM 901 C VAL A 54 -1.387 3.077 -6.971 1.00 0.00 C ATOM 902 O VAL A 54 -2.586 3.043 -6.691 1.00 0.00 O ATOM 903 CB VAL A 54 -0.406 4.870 -5.408 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.642 5.521 -4.781 1.00 0.00 C ATOM 905 CG2 VAL A 54 0.049 3.734 -4.479 1.00 0.00 C ATOM 0 H VAL A 54 -1.678 6.144 -7.142 1.00 0.00 H new ATOM 0 HA VAL A 54 0.406 4.175 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 54 0.365 5.635 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.412 5.831 -3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.932 6.392 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.463 4.804 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.172 4.119 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.700 2.943 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.999 3.333 -4.832 1.00 0.00 H new ATOM 915 N GLU A 55 -0.703 2.008 -7.402 1.00 0.00 N ATOM 916 CA GLU A 55 -1.286 0.686 -7.563 1.00 0.00 C ATOM 917 C GLU A 55 -1.068 -0.130 -6.290 1.00 0.00 C ATOM 918 O GLU A 55 -0.007 -0.044 -5.674 1.00 0.00 O ATOM 919 CB GLU A 55 -0.722 0.007 -8.824 1.00 0.00 C ATOM 920 CG GLU A 55 0.693 -0.574 -8.689 1.00 0.00 C ATOM 921 CD GLU A 55 0.691 -2.015 -8.174 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.136 -2.271 -7.056 1.00 0.00 O ATOM 923 OE2 GLU A 55 0.191 -2.949 -9.032 1.00 0.00 O ATOM 0 H GLU A 55 0.286 2.047 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.363 0.764 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.399 -0.796 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.721 0.734 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.190 -0.539 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.275 0.050 -8.010 1.00 0.00 H new ATOM 931 N VAL A 56 -2.084 -0.903 -5.892 1.00 0.00 N ATOM 932 CA VAL A 56 -2.054 -1.747 -4.705 1.00 0.00 C ATOM 933 C VAL A 56 -2.440 -3.167 -5.109 1.00 0.00 C ATOM 934 O VAL A 56 -3.431 -3.340 -5.817 1.00 0.00 O ATOM 935 CB VAL A 56 -3.038 -1.195 -3.662 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.043 -2.072 -2.406 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.653 0.233 -3.249 1.00 0.00 C ATOM 0 H VAL A 56 -2.966 -0.957 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.056 -1.756 -4.267 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.028 -1.193 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.746 -1.664 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.343 -3.086 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.043 -2.091 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.364 0.602 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.651 0.230 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.670 0.882 -4.125 1.00 0.00 H new ATOM 947 N VAL A 57 -1.689 -4.173 -4.640 1.00 0.00 N ATOM 948 CA VAL A 57 -1.980 -5.583 -4.883 1.00 0.00 C ATOM 949 C VAL A 57 -2.003 -6.370 -3.566 1.00 0.00 C ATOM 950 O VAL A 57 -1.087 -7.138 -3.282 1.00 0.00 O ATOM 951 CB VAL A 57 -1.018 -6.169 -5.939 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.404 -5.681 -7.339 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.458 -5.822 -5.695 1.00 0.00 C ATOM 0 H VAL A 57 -0.853 -4.023 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.981 -5.674 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.119 -7.251 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.717 -6.102 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.421 -6.000 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.349 -4.593 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.071 -6.269 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.584 -4.739 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.768 -6.211 -4.725 1.00 0.00 H new ATOM 963 N ALA A 58 -3.071 -6.194 -2.773 1.00 0.00 N ATOM 964 CA ALA A 58 -3.268 -6.884 -1.499 1.00 0.00 C ATOM 965 C ALA A 58 -3.697 -8.337 -1.710 1.00 0.00 C ATOM 966 O ALA A 58 -4.355 -8.629 -2.704 1.00 0.00 O ATOM 967 CB ALA A 58 -4.347 -6.168 -0.689 1.00 0.00 C ATOM 0 H ALA A 58 -3.832 -5.556 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.318 -6.874 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.492 -6.684 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.038 -5.140 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.282 -6.168 -1.249 1.00 0.00 H new ATOM 973 N GLU A 59 -3.343 -9.237 -0.783 1.00 0.00 N ATOM 974 CA GLU A 59 -3.543 -10.671 -0.946 1.00 0.00 C ATOM 975 C GLU A 59 -4.491 -11.215 0.121 1.00 0.00 C ATOM 976 O GLU A 59 -4.053 -11.516 1.230 1.00 0.00 O ATOM 977 CB GLU A 59 -2.191 -11.389 -0.913 1.00 0.00 C ATOM 978 CG GLU A 59 -1.310 -10.931 -2.079 1.00 0.00 C ATOM 979 CD GLU A 59 -0.155 -11.896 -2.312 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.844 -11.833 -1.600 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.327 -12.775 -3.340 1.00 0.00 O ATOM 0 H GLU A 59 -2.908 -8.983 0.104 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.008 -10.856 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.688 -11.185 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.344 -12.467 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.912 -10.855 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.919 -9.935 -1.872 1.00 0.00 H new ATOM 989 N GLY A 60 -5.779 -11.349 -0.218 1.00 0.00 N ATOM 990 CA GLY A 60 -6.821 -11.786 0.702 1.00 0.00 C ATOM 991 C GLY A 60 -7.597 -12.990 0.174 1.00 0.00 C ATOM 992 O GLY A 60 -7.399 -13.434 -0.955 1.00 0.00 O ATOM 0 H GLY A 60 -6.126 -11.152 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.371 -12.040 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.512 -10.962 0.882 1.00 0.00 H new ATOM 996 N TYR A 61 -8.493 -13.516 1.016 1.00 0.00 N ATOM 997 CA TYR A 61 -9.388 -14.608 0.692 1.00 0.00 C ATOM 998 C TYR A 61 -10.685 -14.025 0.112 1.00 0.00 C ATOM 999 O TYR A 61 -10.729 -13.696 -1.071 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.619 -15.443 1.959 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.477 -16.353 2.367 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.471 -15.873 3.227 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.517 -17.720 2.036 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.530 -16.759 3.776 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.571 -18.605 2.581 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.580 -18.127 3.454 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.668 -18.992 3.982 1.00 0.00 O ATOM 0 H TYR A 61 -8.611 -13.175 1.970 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.964 -15.270 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.831 -14.764 2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.510 -16.053 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.423 -14.821 3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.276 -18.090 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.768 -16.390 4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.606 -19.654 2.328 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.849 -19.898 3.655 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.732 -13.907 0.941 1.00 0.00 N ATOM 1018 CA GLU A 62 -13.073 -13.490 0.550 1.00 0.00 C ATOM 1019 C GLU A 62 -13.739 -12.827 1.758 1.00 0.00 C ATOM 1020 O GLU A 62 -13.865 -11.604 1.810 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.891 -14.714 0.117 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.467 -15.383 -1.198 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.532 -14.462 -2.413 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -12.747 -14.647 -3.339 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.486 -13.487 -2.391 1.00 0.00 O ATOM 0 H GLU A 62 -11.658 -14.108 1.938 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.021 -12.790 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.840 -15.458 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.935 -14.414 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.448 -15.756 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.106 -16.248 -1.376 1.00 0.00 H new ATOM 1033 N GLU A 63 -14.138 -13.641 2.746 1.00 0.00 N ATOM 1034 CA GLU A 63 -14.594 -13.194 4.048 1.00 0.00 C ATOM 1035 C GLU A 63 -13.588 -12.200 4.622 1.00 0.00 C ATOM 1036 O GLU A 63 -13.965 -11.136 5.108 1.00 0.00 O ATOM 1037 CB GLU A 63 -14.719 -14.421 4.962 1.00 0.00 C ATOM 1038 CG GLU A 63 -15.851 -15.360 4.529 1.00 0.00 C ATOM 1039 CD GLU A 63 -15.906 -16.595 5.422 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -15.485 -17.669 4.997 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -16.429 -16.409 6.667 1.00 0.00 O ATOM 0 H GLU A 63 -14.148 -14.656 2.647 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.562 -12.699 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.776 -14.968 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.896 -14.091 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.804 -14.832 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.702 -15.662 3.492 1.00 0.00 H new ATOM 1049 N ALA A 64 -12.297 -12.544 4.523 1.00 0.00 N ATOM 1050 CA ALA A 64 -11.215 -11.688 4.962 1.00 0.00 C ATOM 1051 C ALA A 64 -10.952 -10.554 3.976 1.00 0.00 C ATOM 1052 O ALA A 64 -10.551 -9.473 4.407 1.00 0.00 O ATOM 1053 CB ALA A 64 -9.951 -12.518 5.204 1.00 0.00 C ATOM 0 H ALA A 64 -11.984 -13.433 4.132 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.513 -11.225 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.144 -11.864 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.148 -13.266 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.660 -13.016 4.279 1.00 0.00 H new ATOM 1059 N LEU A 65 -11.177 -10.776 2.671 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.957 -9.727 1.677 1.00 0.00 C ATOM 1061 C LEU A 65 -11.735 -8.474 2.075 1.00 0.00 C ATOM 1062 O LEU A 65 -11.141 -7.411 2.246 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.351 -10.179 0.269 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.176 -9.057 -0.762 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.750 -8.490 -0.813 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.560 -9.617 -2.125 1.00 0.00 C ATOM 0 H LEU A 65 -11.507 -11.662 2.289 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.891 -9.503 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.743 -11.036 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.389 -10.511 0.272 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.817 -8.225 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.699 -7.701 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.486 -8.081 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.051 -9.285 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.446 -8.841 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.912 -10.459 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.597 -9.952 -2.102 1.00 0.00 H new ATOM 1078 N SER A 66 -13.055 -8.631 2.243 1.00 0.00 N ATOM 1079 CA SER A 66 -13.979 -7.570 2.625 1.00 0.00 C ATOM 1080 C SER A 66 -13.478 -6.744 3.813 1.00 0.00 C ATOM 1081 O SER A 66 -13.695 -5.536 3.842 1.00 0.00 O ATOM 1082 CB SER A 66 -15.362 -8.165 2.912 1.00 0.00 C ATOM 1083 OG SER A 66 -15.354 -8.970 4.072 1.00 0.00 O ATOM 0 H SER A 66 -13.517 -9.531 2.111 1.00 0.00 H new ATOM 0 HA SER A 66 -14.049 -6.879 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.087 -7.360 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.686 -8.760 2.058 1.00 0.00 H new ATOM 0 HG SER A 66 -14.665 -9.661 3.986 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.809 -7.390 4.778 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.348 -6.775 6.011 1.00 0.00 C ATOM 1091 C LYS A 67 -11.295 -5.690 5.738 1.00 0.00 C ATOM 1092 O LYS A 67 -11.303 -4.652 6.398 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.907 -7.899 6.969 1.00 0.00 C ATOM 1094 CG LYS A 67 -10.412 -7.957 7.295 1.00 0.00 C ATOM 1095 CD LYS A 67 -10.108 -9.365 7.805 1.00 0.00 C ATOM 1096 CE LYS A 67 -8.732 -9.441 8.464 1.00 0.00 C ATOM 1097 NZ LYS A 67 -8.426 -10.813 8.821 1.00 0.00 N ATOM 0 H LYS A 67 -12.572 -8.380 4.712 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.150 -6.228 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.458 -7.790 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.201 -8.855 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.817 -7.733 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.155 -7.212 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.872 -9.666 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.154 -10.071 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.972 -9.056 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.711 -8.812 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.488 -10.854 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.143 -11.167 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.427 -11.403 7.965 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.428 -5.906 4.739 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.514 -4.890 4.228 1.00 0.00 C ATOM 1112 C LEU A 68 -10.282 -3.948 3.306 1.00 0.00 C ATOM 1113 O LEU A 68 -10.174 -2.732 3.424 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.341 -5.562 3.498 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.556 -4.625 2.558 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.997 -3.372 3.243 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.383 -5.392 1.946 1.00 0.00 C ATOM 0 H LEU A 68 -10.345 -6.803 4.261 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.100 -4.307 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.655 -5.972 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.723 -6.402 2.918 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.270 -4.290 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.459 -2.767 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.818 -2.790 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.316 -3.667 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.825 -4.733 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.726 -5.746 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.761 -6.244 1.380 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.026 -4.508 2.352 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.658 -3.754 1.290 1.00 0.00 C ATOM 1131 C LEU A 69 -12.431 -2.549 1.849 1.00 0.00 C ATOM 1132 O LEU A 69 -12.193 -1.412 1.444 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.573 -4.740 0.542 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.804 -4.484 -0.946 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -13.525 -3.162 -1.200 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.515 -4.558 -1.766 1.00 0.00 C ATOM 0 H LEU A 69 -11.204 -5.511 2.302 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.920 -3.333 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.154 -5.740 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.543 -4.745 1.039 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.453 -5.292 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.666 -3.025 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.496 -3.176 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.928 -2.340 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.740 -4.368 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.810 -3.809 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.075 -5.550 -1.663 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.315 -2.813 2.821 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.211 -1.840 3.430 1.00 0.00 C ATOM 1150 C GLU A 70 -13.470 -0.691 4.128 1.00 0.00 C ATOM 1151 O GLU A 70 -13.948 0.439 4.085 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.184 -2.564 4.375 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.527 -3.025 5.683 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.461 -3.907 6.507 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.892 -3.494 7.581 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -15.756 -5.130 5.979 1.00 0.00 O ATOM 0 H GLU A 70 -13.424 -3.748 3.214 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.780 -1.362 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.016 -1.899 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.602 -3.430 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.614 -3.575 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.237 -2.154 6.271 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.315 -0.974 4.753 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.417 0.021 5.346 1.00 0.00 C ATOM 1166 C ARG A 71 -11.208 1.194 4.395 1.00 0.00 C ATOM 1167 O ARG A 71 -11.314 2.348 4.802 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.104 -0.652 5.790 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.793 -0.002 5.327 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.593 1.376 5.970 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.486 2.476 4.999 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.496 2.676 4.114 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.477 1.817 4.003 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.539 3.745 3.309 1.00 0.00 N ATOM 0 H ARG A 71 -11.974 -1.929 4.861 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.873 0.440 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.096 -0.691 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.115 -1.682 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.954 -0.649 5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.799 0.099 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.427 1.577 6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.690 1.354 6.580 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.244 3.159 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.441 0.989 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.736 1.990 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.319 4.399 3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.792 3.905 2.634 1.00 0.00 H new ATOM 1188 N ILE A 72 -10.900 0.890 3.135 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.540 1.901 2.152 1.00 0.00 C ATOM 1190 C ILE A 72 -11.760 2.741 1.772 1.00 0.00 C ATOM 1191 O ILE A 72 -11.717 3.960 1.928 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.793 1.292 0.949 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.669 0.337 1.404 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.161 2.432 0.139 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -7.993 -0.401 0.246 1.00 0.00 C ATOM 0 H ILE A 72 -10.894 -0.063 2.771 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.825 2.590 2.603 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.508 0.726 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.917 0.907 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.082 -0.394 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.628 2.018 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.943 3.106 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.463 2.983 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.213 -1.055 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.733 -0.998 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.550 0.323 -0.438 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.844 2.108 1.299 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.064 2.825 0.938 1.00 0.00 C ATOM 1209 C LYS A 73 -14.535 3.702 2.101 1.00 0.00 C ATOM 1210 O LYS A 73 -14.711 4.908 1.935 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.187 1.856 0.539 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.043 1.275 -0.877 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.034 0.127 -0.973 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.710 0.538 -1.631 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.873 0.632 -3.070 1.00 0.00 N ATOM 0 H LYS A 73 -12.895 1.099 1.159 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.830 3.455 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.215 1.035 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.143 2.375 0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.017 0.920 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.740 2.071 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.832 -0.255 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.477 -0.690 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.379 1.497 -1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.935 -0.191 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.966 0.894 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.184 -0.287 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.586 1.356 -3.292 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.711 3.091 3.282 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.138 3.763 4.502 1.00 0.00 C ATOM 1230 C GLN A 74 -13.906 4.193 5.313 1.00 0.00 C ATOM 1231 O GLN A 74 -13.826 3.977 6.520 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.102 2.839 5.273 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.211 3.610 6.005 1.00 0.00 C ATOM 1234 CD GLN A 74 -16.682 4.555 7.081 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -16.610 5.763 6.869 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -16.317 4.007 8.242 1.00 0.00 N ATOM 0 H GLN A 74 -14.555 2.091 3.410 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.688 4.677 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.556 2.133 4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.535 2.253 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.785 4.184 5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.898 2.898 6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -16.393 2.999 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.962 4.596 8.995 1.00 0.00 H new ATOM 1245 N GLY A 75 -12.941 4.820 4.633 1.00 0.00 N ATOM 1246 CA GLY A 75 -11.774 5.431 5.242 1.00 0.00 C ATOM 1247 C GLY A 75 -10.879 5.959 4.126 1.00 0.00 C ATOM 1248 O GLY A 75 -9.794 5.417 3.916 1.00 0.00 O ATOM 0 H GLY A 75 -12.958 4.915 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.072 6.242 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.236 4.703 5.849 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.335 6.980 3.380 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.652 7.477 2.195 1.00 0.00 C ATOM 1254 C PRO A 76 -9.369 8.230 2.566 1.00 0.00 C ATOM 1255 O PRO A 76 -9.204 8.650 3.711 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.666 8.397 1.504 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.512 8.914 2.665 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.584 7.698 3.585 1.00 0.00 C ATOM 0 HA PRO A 76 -10.334 6.666 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.174 9.210 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.269 7.856 0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.048 9.769 3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.501 9.234 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.697 8.000 4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.442 7.071 3.340 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.452 8.407 1.603 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.198 9.119 1.796 1.00 0.00 C ATOM 1268 C PRO A 77 -7.413 10.629 1.903 1.00 0.00 C ATOM 1269 O PRO A 77 -8.497 11.136 1.615 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.369 8.783 0.558 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.421 8.580 -0.525 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.548 7.899 0.244 1.00 0.00 C ATOM 0 HA PRO A 77 -6.709 8.823 2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.681 9.589 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.768 7.886 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.741 9.525 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.051 7.959 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.519 8.131 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.439 6.815 0.222 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.351 11.350 2.284 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.355 12.799 2.420 1.00 0.00 C ATOM 1282 C ALA A 78 -6.118 13.480 1.065 1.00 0.00 C ATOM 1283 O ALA A 78 -5.284 14.379 0.959 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.303 13.200 3.458 1.00 0.00 C ATOM 0 H ALA A 78 -5.450 10.927 2.509 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.333 13.135 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.296 14.284 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.543 12.739 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.320 12.863 3.129 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.848 13.051 0.028 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.783 13.603 -1.314 1.00 0.00 C ATOM 1292 C ALA A 79 -8.139 13.476 -2.001 1.00 0.00 C ATOM 1293 O ALA A 79 -9.006 12.726 -1.551 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.741 12.844 -2.127 1.00 0.00 C ATOM 0 H ALA A 79 -7.518 12.286 0.111 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.509 14.656 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.693 13.258 -3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.766 12.939 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.018 11.791 -2.181 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.284 14.174 -3.133 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.388 13.977 -4.056 1.00 0.00 C ATOM 1302 C GLU A 80 -9.157 12.648 -4.781 1.00 0.00 C ATOM 1303 O GLU A 80 -8.523 12.613 -5.835 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.483 15.179 -5.013 1.00 0.00 C ATOM 1305 CG GLU A 80 -10.820 15.246 -5.765 1.00 0.00 C ATOM 1306 CD GLU A 80 -11.035 14.081 -6.727 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -11.839 13.199 -6.434 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.293 14.101 -7.869 1.00 0.00 O ATOM 0 H GLU A 80 -7.628 14.896 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.345 13.922 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.346 16.099 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.669 15.126 -5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.635 15.264 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.868 16.181 -6.323 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.672 11.558 -4.200 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.642 10.224 -4.774 1.00 0.00 C ATOM 1318 C VAL A 81 -10.635 10.132 -5.934 1.00 0.00 C ATOM 1319 O VAL A 81 -11.785 9.738 -5.757 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.827 9.175 -3.661 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.144 9.262 -2.870 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.642 7.754 -4.211 1.00 0.00 C ATOM 0 H VAL A 81 -10.133 11.590 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.670 10.006 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.045 9.414 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.167 8.477 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.213 10.236 -2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.986 9.135 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.778 7.032 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.378 7.568 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.639 7.652 -4.625 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.163 10.516 -7.128 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.894 10.473 -8.387 1.00 0.00 C ATOM 1334 C GLU A 82 -11.703 9.182 -8.517 1.00 0.00 C ATOM 1335 O GLU A 82 -12.927 9.241 -8.608 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.896 10.646 -9.540 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.594 10.674 -10.906 1.00 0.00 C ATOM 1338 CD GLU A 82 -9.582 10.853 -12.034 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -9.344 11.981 -12.457 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -9.001 9.711 -12.499 1.00 0.00 O ATOM 0 H GLU A 82 -9.217 10.881 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.617 11.288 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.337 11.571 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.173 9.830 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.149 9.747 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.319 11.487 -10.931 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.024 8.027 -8.504 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.683 6.726 -8.518 1.00 0.00 C ATOM 1350 C LYS A 83 -10.690 5.621 -8.170 1.00 0.00 C ATOM 1351 O LYS A 83 -9.557 5.650 -8.632 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.331 6.451 -9.890 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.303 6.380 -11.027 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.982 6.327 -12.397 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.911 6.212 -13.488 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.532 6.197 -14.796 1.00 0.00 N ATOM 0 H LYS A 83 -10.006 7.974 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.471 6.738 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.882 5.512 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.055 7.236 -10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.646 7.248 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.676 5.498 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.661 5.476 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.582 7.223 -12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.217 7.049 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.329 5.302 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.798 6.119 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.177 5.384 -14.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.068 7.077 -14.936 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.109 4.628 -7.383 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.354 3.394 -7.216 1.00 0.00 C ATOM 1371 C VAL A 84 -11.015 2.304 -8.062 1.00 0.00 C ATOM 1372 O VAL A 84 -12.013 1.708 -7.661 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.163 3.051 -5.731 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.434 3.142 -4.882 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.492 1.680 -5.593 1.00 0.00 C ATOM 0 H VAL A 84 -11.977 4.660 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.334 3.503 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.511 3.824 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.201 2.883 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.826 4.158 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.181 2.450 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.360 1.444 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.119 0.920 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.519 1.700 -6.085 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.467 2.074 -9.261 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.028 1.165 -10.248 1.00 0.00 C ATOM 1387 C ASP A 85 -10.463 -0.226 -9.981 1.00 0.00 C ATOM 1388 O ASP A 85 -9.472 -0.619 -10.596 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.676 1.678 -11.652 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.183 0.753 -12.756 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -10.387 0.310 -13.582 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -12.519 0.483 -12.750 1.00 0.00 O ATOM 0 H ASP A 85 -9.607 2.526 -9.571 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.115 1.113 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.103 2.671 -11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.594 1.781 -11.737 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.063 -0.952 -9.028 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.495 -2.211 -8.577 1.00 0.00 C ATOM 1400 C TYR A 86 -10.739 -3.345 -9.569 1.00 0.00 C ATOM 1401 O TYR A 86 -11.683 -3.305 -10.358 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.952 -2.579 -7.157 1.00 0.00 C ATOM 1403 CG TYR A 86 -12.216 -3.420 -7.082 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.475 -2.818 -7.260 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -12.130 -4.815 -6.899 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.645 -3.595 -7.204 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.300 -5.591 -6.842 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.558 -4.981 -6.983 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.691 -5.738 -6.906 1.00 0.00 O ATOM 0 H TYR A 86 -11.932 -0.686 -8.564 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.416 -2.063 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.145 -3.119 -6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.113 -1.659 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.543 -1.755 -7.440 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.164 -5.288 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.610 -3.128 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.232 -6.658 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.449 -6.675 -6.751 1.00 0.00 H new ATOM 1419 N SER A 87 -9.876 -4.361 -9.497 1.00 0.00 N ATOM 1420 CA SER A 87 -9.937 -5.557 -10.312 1.00 0.00 C ATOM 1421 C SER A 87 -9.542 -6.758 -9.453 1.00 0.00 C ATOM 1422 O SER A 87 -8.379 -6.920 -9.095 1.00 0.00 O ATOM 1423 CB SER A 87 -9.016 -5.408 -11.526 1.00 0.00 C ATOM 1424 OG SER A 87 -9.388 -4.279 -12.290 1.00 0.00 O ATOM 0 H SER A 87 -9.092 -4.365 -8.845 1.00 0.00 H new ATOM 0 HA SER A 87 -10.950 -5.711 -10.684 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.982 -5.307 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.068 -6.305 -12.142 1.00 0.00 H new ATOM 0 HG SER A 87 -8.790 -4.195 -13.062 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.525 -7.604 -9.130 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.310 -8.892 -8.489 1.00 0.00 C ATOM 1432 C PHE A 88 -9.621 -9.822 -9.492 1.00 0.00 C ATOM 1433 O PHE A 88 -10.101 -9.966 -10.615 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.678 -9.422 -8.044 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.698 -10.823 -7.461 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.630 -11.949 -8.306 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -11.926 -11.003 -6.085 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.710 -13.244 -7.766 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.057 -12.297 -5.554 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.923 -13.418 -6.389 1.00 0.00 C ATOM 0 H PHE A 88 -11.508 -7.403 -9.313 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.667 -8.818 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.086 -8.736 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.350 -9.399 -8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.516 -11.816 -9.372 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.001 -10.144 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.608 -14.105 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.261 -12.430 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.984 -14.413 -5.973 1.00 0.00 H new ATOM 1450 N SER A 89 -8.495 -10.434 -9.096 1.00 0.00 N ATOM 1451 CA SER A 89 -7.696 -11.310 -9.949 1.00 0.00 C ATOM 1452 C SER A 89 -7.298 -12.578 -9.188 1.00 0.00 C ATOM 1453 O SER A 89 -7.736 -12.781 -8.059 1.00 0.00 O ATOM 1454 CB SER A 89 -6.464 -10.545 -10.452 1.00 0.00 C ATOM 1455 OG SER A 89 -6.840 -9.300 -11.006 1.00 0.00 O ATOM 0 H SER A 89 -8.112 -10.329 -8.156 1.00 0.00 H new ATOM 0 HA SER A 89 -8.286 -11.619 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.767 -10.387 -9.629 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.942 -11.139 -11.202 1.00 0.00 H new ATOM 0 HG SER A 89 -6.041 -8.827 -11.319 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.450 -13.418 -9.799 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.802 -14.549 -9.141 1.00 0.00 C ATOM 1463 C GLU A 90 -4.326 -14.216 -8.941 1.00 0.00 C ATOM 1464 O GLU A 90 -3.717 -13.575 -9.797 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.008 -15.862 -9.913 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.185 -16.006 -11.200 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.632 -15.031 -12.285 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -5.066 -13.944 -12.398 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.671 -15.444 -13.063 1.00 0.00 O ATOM 0 H GLU A 90 -6.194 -13.324 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.263 -14.713 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.765 -16.694 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.064 -15.953 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.132 -15.839 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.273 -17.026 -11.573 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.760 -14.623 -7.803 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.391 -14.331 -7.434 1.00 0.00 C ATOM 1479 C TYR A 91 -1.358 -15.022 -8.328 1.00 0.00 C ATOM 1480 O TYR A 91 -1.497 -16.195 -8.667 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.195 -14.610 -5.939 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.126 -16.050 -5.446 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -2.802 -17.108 -6.093 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.463 -16.305 -4.231 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -2.765 -18.408 -5.562 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.441 -17.601 -3.691 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.095 -18.653 -4.351 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.081 -19.911 -3.820 1.00 0.00 O ATOM 0 H TYR A 91 -4.258 -15.175 -7.105 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.209 -13.270 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.273 -14.116 -5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.011 -14.121 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.351 -16.916 -7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.968 -15.499 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.251 -19.219 -6.084 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.919 -17.789 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.574 -19.907 -2.982 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.312 -14.274 -8.704 1.00 0.00 N ATOM 1499 CA LYS A 92 0.866 -14.809 -9.372 1.00 0.00 C ATOM 1500 C LYS A 92 1.622 -15.696 -8.383 1.00 0.00 C ATOM 1501 O LYS A 92 1.902 -16.859 -8.665 1.00 0.00 O ATOM 1502 CB LYS A 92 1.747 -13.644 -9.854 1.00 0.00 C ATOM 1503 CG LYS A 92 3.060 -14.083 -10.524 1.00 0.00 C ATOM 1504 CD LYS A 92 2.919 -14.919 -11.808 1.00 0.00 C ATOM 1505 CE LYS A 92 2.373 -14.146 -13.019 1.00 0.00 C ATOM 1506 NZ LYS A 92 0.923 -14.087 -13.017 1.00 0.00 N ATOM 0 H LYS A 92 -0.267 -13.267 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 92 0.583 -15.405 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.177 -13.039 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.982 -13.005 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.641 -13.191 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.638 -14.659 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.895 -15.331 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.260 -15.763 -11.605 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.777 -13.134 -13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.715 -14.622 -13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.550 -14.679 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.563 -14.436 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.615 -13.103 -13.157 1.00 0.00 H new ATOM 1519 N GLY A 93 1.942 -15.122 -7.219 1.00 0.00 N ATOM 1520 CA GLY A 93 2.624 -15.773 -6.121 1.00 0.00 C ATOM 1521 C GLY A 93 2.429 -14.939 -4.856 1.00 0.00 C ATOM 1522 O GLY A 93 1.720 -13.932 -4.871 1.00 0.00 O ATOM 0 H GLY A 93 1.718 -14.147 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.229 -16.778 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.686 -15.877 -6.345 1.00 0.00 H new ATOM 1526 N GLU A 94 3.067 -15.360 -3.761 1.00 0.00 N ATOM 1527 CA GLU A 94 3.001 -14.699 -2.473 1.00 0.00 C ATOM 1528 C GLU A 94 4.088 -13.629 -2.398 1.00 0.00 C ATOM 1529 O GLU A 94 5.277 -13.921 -2.496 1.00 0.00 O ATOM 1530 CB GLU A 94 3.067 -15.723 -1.328 1.00 0.00 C ATOM 1531 CG GLU A 94 4.353 -16.561 -1.278 1.00 0.00 C ATOM 1532 CD GLU A 94 4.332 -17.618 -0.176 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.352 -17.726 0.560 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.450 -18.392 -0.088 1.00 0.00 O ATOM 0 H GLU A 94 3.657 -16.192 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 94 2.042 -14.194 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.959 -15.194 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.215 -16.398 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.499 -17.050 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.206 -15.900 -1.124 1.00 0.00 H new ATOM 1542 N PHE A 95 3.663 -12.376 -2.226 1.00 0.00 N ATOM 1543 CA PHE A 95 4.545 -11.280 -1.871 1.00 0.00 C ATOM 1544 C PHE A 95 5.010 -11.477 -0.430 1.00 0.00 C ATOM 1545 O PHE A 95 4.201 -11.797 0.439 1.00 0.00 O ATOM 1546 CB PHE A 95 3.799 -9.950 -1.996 1.00 0.00 C ATOM 1547 CG PHE A 95 3.581 -9.460 -3.414 1.00 0.00 C ATOM 1548 CD1 PHE A 95 4.626 -8.806 -4.094 1.00 0.00 C ATOM 1549 CD2 PHE A 95 2.320 -9.578 -4.026 1.00 0.00 C ATOM 1550 CE1 PHE A 95 4.414 -8.284 -5.382 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.107 -9.057 -5.314 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.156 -8.414 -5.993 1.00 0.00 C ATOM 0 H PHE A 95 2.687 -12.099 -2.332 1.00 0.00 H new ATOM 0 HA PHE A 95 5.404 -11.264 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.828 -10.050 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.353 -9.189 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.593 -8.705 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.513 -10.071 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.218 -7.783 -5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.138 -9.151 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.995 -8.020 -6.985 1.00 0.00 H new ATOM 1562 N GLU A 96 6.308 -11.285 -0.174 1.00 0.00 N ATOM 1563 CA GLU A 96 6.882 -11.358 1.157 1.00 0.00 C ATOM 1564 C GLU A 96 6.444 -10.145 1.983 1.00 0.00 C ATOM 1565 O GLU A 96 7.082 -9.096 1.943 1.00 0.00 O ATOM 1566 CB GLU A 96 8.408 -11.554 1.095 1.00 0.00 C ATOM 1567 CG GLU A 96 9.176 -10.591 0.173 1.00 0.00 C ATOM 1568 CD GLU A 96 10.679 -10.831 0.271 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.389 -10.010 0.848 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.138 -11.978 -0.308 1.00 0.00 O ATOM 0 H GLU A 96 6.991 -11.072 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 96 6.500 -12.239 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.808 -11.455 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.610 -12.575 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.848 -10.727 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.949 -9.560 0.446 1.00 0.00 H new ATOM 1578 N ASP A 97 5.333 -10.294 2.717 1.00 0.00 N ATOM 1579 CA ASP A 97 4.689 -9.221 3.464 1.00 0.00 C ATOM 1580 C ASP A 97 4.096 -8.198 2.490 1.00 0.00 C ATOM 1581 O ASP A 97 3.867 -8.518 1.323 1.00 0.00 O ATOM 1582 CB ASP A 97 5.654 -8.630 4.510 1.00 0.00 C ATOM 1583 CG ASP A 97 4.913 -8.031 5.704 1.00 0.00 C ATOM 1584 OD1 ASP A 97 4.750 -6.814 5.765 1.00 0.00 O ATOM 1585 OD2 ASP A 97 4.463 -8.919 6.634 1.00 0.00 O ATOM 0 H ASP A 97 4.851 -11.188 2.806 1.00 0.00 H new ATOM 0 HA ASP A 97 3.850 -9.609 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.331 -9.410 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.268 -7.860 4.042 1.00 0.00 H new ATOM 1591 N PHE A 98 3.817 -6.988 2.980 1.00 0.00 N ATOM 1592 CA PHE A 98 3.171 -5.923 2.232 1.00 0.00 C ATOM 1593 C PHE A 98 4.040 -4.669 2.302 1.00 0.00 C ATOM 1594 O PHE A 98 3.889 -3.865 3.219 1.00 0.00 O ATOM 1595 CB PHE A 98 1.761 -5.713 2.801 1.00 0.00 C ATOM 1596 CG PHE A 98 0.719 -5.180 1.833 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.055 -4.310 0.778 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.624 -5.535 2.038 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.049 -3.817 -0.071 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.634 -4.979 1.242 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.295 -4.149 0.164 1.00 0.00 C ATOM 0 H PHE A 98 4.044 -6.721 3.938 1.00 0.00 H new ATOM 0 HA PHE A 98 3.063 -6.178 1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.406 -6.665 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.831 -5.024 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.084 -4.022 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.880 -6.241 2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.310 -3.182 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.671 -5.189 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.068 -3.765 -0.486 1.00 0.00 H new ATOM 1611 N GLU A 99 4.964 -4.511 1.345 1.00 0.00 N ATOM 1612 CA GLU A 99 5.920 -3.410 1.345 1.00 0.00 C ATOM 1613 C GLU A 99 5.564 -2.420 0.237 1.00 0.00 C ATOM 1614 O GLU A 99 4.823 -2.753 -0.679 1.00 0.00 O ATOM 1615 CB GLU A 99 7.339 -3.973 1.218 1.00 0.00 C ATOM 1616 CG GLU A 99 8.392 -2.861 1.140 1.00 0.00 C ATOM 1617 CD GLU A 99 9.799 -3.443 1.060 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.313 -3.616 -0.044 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.394 -3.741 2.249 1.00 0.00 O ATOM 0 H GLU A 99 5.065 -5.145 0.553 1.00 0.00 H new ATOM 0 HA GLU A 99 5.876 -2.858 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.552 -4.615 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.403 -4.597 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.203 -2.237 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.311 -2.217 2.015 1.00 0.00 H new ATOM 1627 N THR A 100 6.053 -1.183 0.349 1.00 0.00 N ATOM 1628 CA THR A 100 5.588 -0.066 -0.454 1.00 0.00 C ATOM 1629 C THR A 100 6.704 0.454 -1.369 1.00 0.00 C ATOM 1630 O THR A 100 7.869 0.465 -0.970 1.00 0.00 O ATOM 1631 CB THR A 100 5.019 1.013 0.487 1.00 0.00 C ATOM 1632 OG1 THR A 100 6.007 1.936 0.895 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.402 0.392 1.748 1.00 0.00 C ATOM 0 H THR A 100 6.790 -0.933 1.008 1.00 0.00 H new ATOM 0 HA THR A 100 4.788 -0.384 -1.123 1.00 0.00 H new ATOM 0 HB THR A 100 4.252 1.532 -0.088 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.605 2.604 1.489 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.011 1.182 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.592 -0.279 1.464 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.165 -0.169 2.288 1.00 0.00 H new ATOM 1641 N TYR A 101 6.344 0.889 -2.583 1.00 0.00 N ATOM 1642 CA TYR A 101 7.232 1.631 -3.478 1.00 0.00 C ATOM 1643 C TYR A 101 6.930 3.118 -3.310 1.00 0.00 C ATOM 1644 O TYR A 101 7.895 3.897 -3.166 1.00 0.00 O ATOM 1645 CB TYR A 101 7.018 1.210 -4.940 1.00 0.00 C ATOM 1646 CG TYR A 101 8.247 1.204 -5.819 1.00 0.00 C ATOM 1647 CD1 TYR A 101 9.043 0.046 -5.888 1.00 0.00 C ATOM 1648 CD2 TYR A 101 8.470 2.260 -6.721 1.00 0.00 C ATOM 1649 CE1 TYR A 101 10.135 -0.006 -6.771 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.567 2.214 -7.599 1.00 0.00 C ATOM 1651 CZ TYR A 101 10.408 1.087 -7.614 1.00 0.00 C ATOM 1652 OH TYR A 101 11.483 1.044 -8.453 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.723 3.451 -3.311 1.00 0.00 O ATOM 0 H TYR A 101 5.415 0.732 -2.974 1.00 0.00 H new ATOM 0 HA TYR A 101 8.271 1.419 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.586 0.209 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.282 1.879 -5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.815 -0.804 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.799 3.106 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.764 -0.884 -6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.764 3.044 -8.262 1.00 0.00 H new ATOM 0 HH TYR A 101 11.530 1.877 -8.968 1.00 0.00 H new TER 1663 TYR A 101