USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot -91:sc= -1.38 USER MOD Set 1.2: A 48 THR OG1 : rot -136:sc= 0.508 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0486 USER MOD Single : A 5 SER OG : rot 11:sc= 0.045 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.49!) USER MOD Single : A 18 HIS : no HD1:sc= -2.63! K(o=-2.6!,f=-2) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.8) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.297 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.59! C(o=-1.6!,f=-5.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.709 K(o=-0.71,f=-5.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.118 (180deg=-0.663) USER MOD Single : A 60 GLN : amide:sc= -0.975 K(o=-0.97,f=-1.5!) USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= 0.029 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.812 (180deg=0.402) USER MOD Single : A 71 SER OG : rot -130:sc= -1 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.957 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.064) USER MOD Single : A 80 TYR OH : rot -130:sc= -1.02 USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= -0.401 (180deg=-1.93!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.47!) USER MOD Single : A 94 GLN : amide:sc= 0.784 K(o=0.78,f=-2.6!) USER MOD Single : A 98 LYS NZ :NH3+ -157:sc= -0.0535 (180deg=-0.326) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 17:sc= 1.22 USER MOD Single : A 107 SER OG : rot 35:sc= 0.529 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.973 28.150 -23.405 1.00 0.00 N ATOM 2 CA GLY A 1 -9.983 26.871 -22.719 1.00 0.00 C ATOM 3 C GLY A 1 -11.290 26.125 -22.901 1.00 0.00 C ATOM 4 O GLY A 1 -12.328 26.544 -22.390 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.058 28.620 -23.250 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.116 27.999 -24.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.738 28.749 -23.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.163 26.257 -23.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.805 27.031 -21.656 1.00 0.00 H new ATOM 8 N SER A 2 -11.240 25.017 -23.634 1.00 0.00 N ATOM 9 CA SER A 2 -12.431 24.214 -23.888 1.00 0.00 C ATOM 10 C SER A 2 -12.622 23.166 -22.796 1.00 0.00 C ATOM 11 O SER A 2 -13.720 22.998 -22.266 1.00 0.00 O ATOM 12 CB SER A 2 -12.330 23.532 -25.253 1.00 0.00 C ATOM 13 OG SER A 2 -12.183 24.486 -26.291 1.00 0.00 O ATOM 0 H SER A 2 -10.388 24.655 -24.062 1.00 0.00 H new ATOM 0 HA SER A 2 -13.295 24.879 -23.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.480 22.849 -25.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.223 22.932 -25.430 1.00 0.00 H new ATOM 0 HG SER A 2 -12.119 24.024 -27.153 1.00 0.00 H new ATOM 19 N SER A 3 -11.543 22.463 -22.464 1.00 0.00 N ATOM 20 CA SER A 3 -11.592 21.428 -21.438 1.00 0.00 C ATOM 21 C SER A 3 -10.186 21.060 -20.971 1.00 0.00 C ATOM 22 O SER A 3 -9.201 21.341 -21.652 1.00 0.00 O ATOM 23 CB SER A 3 -12.307 20.185 -21.970 1.00 0.00 C ATOM 24 OG SER A 3 -12.425 19.194 -20.964 1.00 0.00 O ATOM 0 H SER A 3 -10.625 22.591 -22.890 1.00 0.00 H new ATOM 0 HA SER A 3 -12.148 21.821 -20.587 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.298 20.459 -22.333 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.757 19.781 -22.820 1.00 0.00 H new ATOM 0 HG SER A 3 -12.887 18.411 -21.329 1.00 0.00 H new ATOM 30 N GLY A 4 -10.103 20.428 -19.804 1.00 0.00 N ATOM 31 CA GLY A 4 -8.816 20.030 -19.266 1.00 0.00 C ATOM 32 C GLY A 4 -8.947 19.105 -18.072 1.00 0.00 C ATOM 33 O GLY A 4 -9.226 17.917 -18.228 1.00 0.00 O ATOM 0 H GLY A 4 -10.904 20.185 -19.222 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.238 19.533 -20.045 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.257 20.919 -18.973 1.00 0.00 H new ATOM 37 N SER A 5 -8.743 19.651 -16.877 1.00 0.00 N ATOM 38 CA SER A 5 -8.835 18.865 -15.653 1.00 0.00 C ATOM 39 C SER A 5 -9.460 19.683 -14.527 1.00 0.00 C ATOM 40 O SER A 5 -8.879 20.663 -14.061 1.00 0.00 O ATOM 41 CB SER A 5 -7.449 18.374 -15.232 1.00 0.00 C ATOM 42 OG SER A 5 -7.047 17.256 -16.005 1.00 0.00 O ATOM 0 H SER A 5 -8.513 20.634 -16.731 1.00 0.00 H new ATOM 0 HA SER A 5 -9.474 18.004 -15.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.724 19.180 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.461 18.105 -14.176 1.00 0.00 H new ATOM 0 HG SER A 5 -7.664 17.140 -16.757 1.00 0.00 H new ATOM 48 N SER A 6 -10.649 19.274 -14.096 1.00 0.00 N ATOM 49 CA SER A 6 -11.356 19.971 -13.028 1.00 0.00 C ATOM 50 C SER A 6 -11.612 19.039 -11.847 1.00 0.00 C ATOM 51 O SER A 6 -11.548 17.817 -11.981 1.00 0.00 O ATOM 52 CB SER A 6 -12.682 20.531 -13.546 1.00 0.00 C ATOM 53 OG SER A 6 -13.235 21.462 -12.632 1.00 0.00 O ATOM 0 H SER A 6 -11.143 18.464 -14.470 1.00 0.00 H new ATOM 0 HA SER A 6 -10.729 20.796 -12.689 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.524 21.014 -14.511 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.386 19.715 -13.709 1.00 0.00 H new ATOM 0 HG SER A 6 -14.081 21.806 -12.987 1.00 0.00 H new ATOM 59 N GLY A 7 -11.903 19.625 -10.690 1.00 0.00 N ATOM 60 CA GLY A 7 -12.164 18.834 -9.502 1.00 0.00 C ATOM 61 C GLY A 7 -11.306 17.586 -9.437 1.00 0.00 C ATOM 62 O GLY A 7 -11.780 16.482 -9.709 1.00 0.00 O ATOM 0 H GLY A 7 -11.963 20.634 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.982 19.443 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.216 18.549 -9.482 1.00 0.00 H new ATOM 66 N LEU A 8 -10.039 17.760 -9.076 1.00 0.00 N ATOM 67 CA LEU A 8 -9.111 16.639 -8.977 1.00 0.00 C ATOM 68 C LEU A 8 -9.092 16.071 -7.561 1.00 0.00 C ATOM 69 O LEU A 8 -8.997 14.859 -7.369 1.00 0.00 O ATOM 70 CB LEU A 8 -7.703 17.080 -9.381 1.00 0.00 C ATOM 71 CG LEU A 8 -6.808 15.997 -9.985 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.696 14.809 -9.041 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.345 15.555 -11.338 1.00 0.00 C ATOM 0 H LEU A 8 -9.631 18.666 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.450 15.858 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.791 17.894 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.204 17.486 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.812 16.415 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.055 14.049 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.266 15.136 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.687 14.390 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.696 14.784 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.352 15.155 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.373 16.409 -12.015 1.00 0.00 H new ATOM 85 N ALA A 9 -9.185 16.955 -6.573 1.00 0.00 N ATOM 86 CA ALA A 9 -9.183 16.542 -5.175 1.00 0.00 C ATOM 87 C ALA A 9 -10.439 15.746 -4.836 1.00 0.00 C ATOM 88 O ALA A 9 -10.357 14.613 -4.364 1.00 0.00 O ATOM 89 CB ALA A 9 -9.064 17.756 -4.266 1.00 0.00 C ATOM 0 H ALA A 9 -9.263 17.962 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.320 15.896 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.064 17.433 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.135 18.283 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.908 18.424 -4.438 1.00 0.00 H new ATOM 95 N GLU A 10 -11.599 16.348 -5.081 1.00 0.00 N ATOM 96 CA GLU A 10 -12.872 15.694 -4.799 1.00 0.00 C ATOM 97 C GLU A 10 -12.804 14.205 -5.129 1.00 0.00 C ATOM 98 O GLU A 10 -13.249 13.364 -4.348 1.00 0.00 O ATOM 99 CB GLU A 10 -13.997 16.353 -5.599 1.00 0.00 C ATOM 100 CG GLU A 10 -13.706 16.460 -7.086 1.00 0.00 C ATOM 101 CD GLU A 10 -14.841 17.103 -7.858 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.040 18.327 -7.711 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.532 16.382 -8.609 1.00 0.00 O ATOM 0 H GLU A 10 -11.684 17.286 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.080 15.804 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.915 15.782 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.178 17.351 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.796 17.042 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.516 15.465 -7.488 1.00 0.00 H new ATOM 110 N LEU A 11 -12.243 13.888 -6.291 1.00 0.00 N ATOM 111 CA LEU A 11 -12.116 12.502 -6.726 1.00 0.00 C ATOM 112 C LEU A 11 -11.124 11.744 -5.849 1.00 0.00 C ATOM 113 O LEU A 11 -11.326 10.571 -5.535 1.00 0.00 O ATOM 114 CB LEU A 11 -11.670 12.444 -8.188 1.00 0.00 C ATOM 115 CG LEU A 11 -12.788 12.428 -9.230 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.885 11.457 -8.823 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.357 13.826 -9.424 1.00 0.00 C ATOM 0 H LEU A 11 -11.869 14.572 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.092 12.027 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.029 13.303 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.059 11.552 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.368 12.093 -10.178 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.672 11.460 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.469 10.453 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.302 11.761 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.152 13.795 -10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.760 14.189 -8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.567 14.496 -9.763 1.00 0.00 H new ATOM 129 N PHE A 12 -10.052 12.424 -5.455 1.00 0.00 N ATOM 130 CA PHE A 12 -9.029 11.816 -4.612 1.00 0.00 C ATOM 131 C PHE A 12 -9.632 11.301 -3.309 1.00 0.00 C ATOM 132 O PHE A 12 -9.167 10.310 -2.747 1.00 0.00 O ATOM 133 CB PHE A 12 -7.920 12.827 -4.310 1.00 0.00 C ATOM 134 CG PHE A 12 -6.864 12.299 -3.382 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.808 11.547 -3.869 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.928 12.554 -2.021 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.834 11.060 -3.018 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.958 12.070 -1.165 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.910 11.321 -1.664 1.00 0.00 C ATOM 0 H PHE A 12 -9.869 13.396 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.604 10.971 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.451 13.130 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.364 13.721 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.745 11.339 -4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.746 13.138 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.015 10.476 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.019 12.277 -0.107 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.151 10.940 -0.996 1.00 0.00 H new ATOM 149 N GLU A 13 -10.670 11.983 -2.834 1.00 0.00 N ATOM 150 CA GLU A 13 -11.336 11.595 -1.597 1.00 0.00 C ATOM 151 C GLU A 13 -12.225 10.374 -1.816 1.00 0.00 C ATOM 152 O GLU A 13 -12.152 9.396 -1.072 1.00 0.00 O ATOM 153 CB GLU A 13 -12.172 12.757 -1.055 1.00 0.00 C ATOM 154 CG GLU A 13 -11.361 14.010 -0.773 1.00 0.00 C ATOM 155 CD GLU A 13 -10.504 13.883 0.472 1.00 0.00 C ATOM 156 OE1 GLU A 13 -9.370 13.373 0.363 1.00 0.00 O ATOM 157 OE2 GLU A 13 -10.969 14.294 1.556 1.00 0.00 O ATOM 0 H GLU A 13 -11.067 12.806 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.568 11.337 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.956 12.996 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.667 12.440 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.722 14.225 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.037 14.858 -0.659 1.00 0.00 H new ATOM 164 N LYS A 14 -13.065 10.438 -2.844 1.00 0.00 N ATOM 165 CA LYS A 14 -13.968 9.339 -3.164 1.00 0.00 C ATOM 166 C LYS A 14 -13.191 8.049 -3.407 1.00 0.00 C ATOM 167 O LYS A 14 -13.463 7.024 -2.783 1.00 0.00 O ATOM 168 CB LYS A 14 -14.805 9.683 -4.399 1.00 0.00 C ATOM 169 CG LYS A 14 -15.983 10.594 -4.101 1.00 0.00 C ATOM 170 CD LYS A 14 -16.623 11.114 -5.377 1.00 0.00 C ATOM 171 CE LYS A 14 -15.987 12.420 -5.827 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.455 13.575 -5.012 1.00 0.00 N ATOM 0 H LYS A 14 -13.139 11.240 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.632 9.188 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.165 10.162 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.174 8.760 -4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.725 10.051 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.649 11.434 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.523 10.368 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.690 11.265 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.902 12.340 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.224 12.596 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.590 14.402 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.357 13.334 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.746 13.797 -4.285 1.00 0.00 H new ATOM 186 N ALA A 15 -12.223 8.109 -4.314 1.00 0.00 N ATOM 187 CA ALA A 15 -11.404 6.946 -4.636 1.00 0.00 C ATOM 188 C ALA A 15 -10.862 6.290 -3.371 1.00 0.00 C ATOM 189 O ALA A 15 -10.940 5.072 -3.210 1.00 0.00 O ATOM 190 CB ALA A 15 -10.261 7.344 -5.558 1.00 0.00 C ATOM 0 H ALA A 15 -11.986 8.950 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.034 6.220 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.658 6.466 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.666 7.760 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.639 8.091 -5.065 1.00 0.00 H new ATOM 196 N ALA A 16 -10.312 7.104 -2.476 1.00 0.00 N ATOM 197 CA ALA A 16 -9.759 6.602 -1.225 1.00 0.00 C ATOM 198 C ALA A 16 -10.717 5.623 -0.554 1.00 0.00 C ATOM 199 O ALA A 16 -10.315 4.542 -0.126 1.00 0.00 O ATOM 200 CB ALA A 16 -9.439 7.757 -0.288 1.00 0.00 C ATOM 0 H ALA A 16 -10.238 8.114 -2.595 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.837 6.068 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.027 7.367 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.711 8.417 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.350 8.316 -0.075 1.00 0.00 H new ATOM 206 N ALA A 17 -11.985 6.011 -0.466 1.00 0.00 N ATOM 207 CA ALA A 17 -13.000 5.166 0.152 1.00 0.00 C ATOM 208 C ALA A 17 -13.173 3.862 -0.620 1.00 0.00 C ATOM 209 O ALA A 17 -13.584 2.847 -0.057 1.00 0.00 O ATOM 210 CB ALA A 17 -14.324 5.911 0.238 1.00 0.00 C ATOM 0 H ALA A 17 -12.334 6.904 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.668 4.919 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.073 5.269 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.196 6.812 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.652 6.187 -0.764 1.00 0.00 H new ATOM 216 N HIS A 18 -12.858 3.897 -1.910 1.00 0.00 N ATOM 217 CA HIS A 18 -12.979 2.717 -2.759 1.00 0.00 C ATOM 218 C HIS A 18 -11.809 1.764 -2.534 1.00 0.00 C ATOM 219 O HIS A 18 -11.954 0.547 -2.659 1.00 0.00 O ATOM 220 CB HIS A 18 -13.043 3.126 -4.231 1.00 0.00 C ATOM 221 CG HIS A 18 -13.840 2.184 -5.080 1.00 0.00 C ATOM 222 ND1 HIS A 18 -15.060 1.672 -4.694 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.585 1.663 -6.303 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.521 0.875 -5.642 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.644 0.853 -6.630 1.00 0.00 N ATOM 0 H HIS A 18 -12.517 4.729 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.902 2.201 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.477 4.123 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.029 3.189 -4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.711 1.850 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.455 0.334 -5.614 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.738 0.321 -7.495 1.00 0.00 H new ATOM 234 N LEU A 19 -10.651 2.324 -2.203 1.00 0.00 N ATOM 235 CA LEU A 19 -9.456 1.524 -1.961 1.00 0.00 C ATOM 236 C LEU A 19 -9.768 0.339 -1.052 1.00 0.00 C ATOM 237 O LEU A 19 -9.428 -0.801 -1.365 1.00 0.00 O ATOM 238 CB LEU A 19 -8.359 2.387 -1.335 1.00 0.00 C ATOM 239 CG LEU A 19 -6.920 1.979 -1.654 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.936 2.852 -0.891 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.697 0.510 -1.327 1.00 0.00 C ATOM 0 H LEU A 19 -10.514 3.329 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.106 1.140 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.504 3.417 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.488 2.374 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.750 2.123 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.917 2.547 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.079 3.895 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.106 2.741 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.668 0.237 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.886 0.340 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.377 -0.102 -1.919 1.00 0.00 H new ATOM 253 N GLN A 20 -10.419 0.619 0.073 1.00 0.00 N ATOM 254 CA GLN A 20 -10.778 -0.424 1.026 1.00 0.00 C ATOM 255 C GLN A 20 -11.628 -1.501 0.360 1.00 0.00 C ATOM 256 O GLN A 20 -11.667 -2.644 0.813 1.00 0.00 O ATOM 257 CB GLN A 20 -11.534 0.177 2.212 1.00 0.00 C ATOM 258 CG GLN A 20 -10.701 1.147 3.036 1.00 0.00 C ATOM 259 CD GLN A 20 -9.922 0.456 4.138 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.404 0.317 5.262 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.709 0.019 3.820 1.00 0.00 N ATOM 0 H GLN A 20 -10.708 1.558 0.346 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.858 -0.884 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.420 0.694 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.881 -0.630 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.007 1.672 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.356 1.900 3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.349 0.156 2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.137 -0.453 4.520 1.00 0.00 H new ATOM 270 N GLY A 21 -12.309 -1.128 -0.719 1.00 0.00 N ATOM 271 CA GLY A 21 -13.149 -2.073 -1.430 1.00 0.00 C ATOM 272 C GLY A 21 -12.405 -2.792 -2.538 1.00 0.00 C ATOM 273 O GLY A 21 -12.894 -3.782 -3.084 1.00 0.00 O ATOM 0 H GLY A 21 -12.294 -0.187 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.542 -2.806 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.005 -1.547 -1.853 1.00 0.00 H new ATOM 277 N LEU A 22 -11.220 -2.293 -2.873 1.00 0.00 N ATOM 278 CA LEU A 22 -10.407 -2.893 -3.925 1.00 0.00 C ATOM 279 C LEU A 22 -9.175 -3.575 -3.338 1.00 0.00 C ATOM 280 O LEU A 22 -8.237 -3.913 -4.062 1.00 0.00 O ATOM 281 CB LEU A 22 -9.982 -1.829 -4.938 1.00 0.00 C ATOM 282 CG LEU A 22 -11.088 -0.899 -5.438 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.505 0.203 -6.309 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.140 -1.686 -6.205 1.00 0.00 C ATOM 0 H LEU A 22 -10.801 -1.475 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.010 -3.647 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.198 -1.220 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.540 -2.331 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.566 -0.437 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.307 0.855 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.789 0.785 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.001 -0.240 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.919 -1.008 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.676 -2.176 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.580 -2.439 -5.551 1.00 0.00 H new ATOM 296 N ILE A 23 -9.184 -3.775 -2.025 1.00 0.00 N ATOM 297 CA ILE A 23 -8.069 -4.419 -1.343 1.00 0.00 C ATOM 298 C ILE A 23 -7.848 -5.834 -1.865 1.00 0.00 C ATOM 299 O ILE A 23 -6.716 -6.312 -1.930 1.00 0.00 O ATOM 300 CB ILE A 23 -8.297 -4.476 0.179 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.614 -3.081 0.722 1.00 0.00 C ATOM 302 CG2 ILE A 23 -7.075 -5.056 0.877 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.428 -2.142 0.708 1.00 0.00 C ATOM 0 H ILE A 23 -9.951 -3.500 -1.412 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.184 -3.816 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.149 -5.126 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.419 -2.645 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.982 -3.173 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.252 -5.090 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.890 -6.065 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.207 -4.429 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.727 -1.173 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.629 -2.556 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.073 -2.020 -0.315 1.00 0.00 H new ATOM 315 N GLN A 24 -8.937 -6.498 -2.239 1.00 0.00 N ATOM 316 CA GLN A 24 -8.862 -7.859 -2.757 1.00 0.00 C ATOM 317 C GLN A 24 -8.246 -7.876 -4.152 1.00 0.00 C ATOM 318 O GLN A 24 -7.709 -8.893 -4.592 1.00 0.00 O ATOM 319 CB GLN A 24 -10.255 -8.491 -2.793 1.00 0.00 C ATOM 320 CG GLN A 24 -11.032 -8.325 -1.498 1.00 0.00 C ATOM 321 CD GLN A 24 -12.471 -8.786 -1.618 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.843 -9.840 -1.101 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.291 -7.997 -2.302 1.00 0.00 N ATOM 0 H GLN A 24 -9.882 -6.116 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.225 -8.441 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.825 -8.047 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.157 -9.554 -3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.538 -8.890 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.014 -7.277 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.941 -7.132 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.271 -8.256 -2.415 1.00 0.00 H new ATOM 332 N VAL A 25 -8.328 -6.744 -4.844 1.00 0.00 N ATOM 333 CA VAL A 25 -7.778 -6.629 -6.189 1.00 0.00 C ATOM 334 C VAL A 25 -6.468 -5.848 -6.183 1.00 0.00 C ATOM 335 O VAL A 25 -5.728 -5.850 -7.166 1.00 0.00 O ATOM 336 CB VAL A 25 -8.770 -5.939 -7.144 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.008 -6.801 -7.342 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.146 -4.563 -6.617 1.00 0.00 C ATOM 0 H VAL A 25 -8.770 -5.894 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.591 -7.643 -6.542 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.287 -5.812 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.697 -6.297 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.718 -7.762 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.497 -6.962 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.847 -4.090 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.611 -4.664 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.250 -3.948 -6.533 1.00 0.00 H new ATOM 348 N ALA A 26 -6.190 -5.181 -5.068 1.00 0.00 N ATOM 349 CA ALA A 26 -4.968 -4.397 -4.932 1.00 0.00 C ATOM 350 C ALA A 26 -3.826 -5.250 -4.391 1.00 0.00 C ATOM 351 O ALA A 26 -3.851 -5.677 -3.237 1.00 0.00 O ATOM 352 CB ALA A 26 -5.209 -3.197 -4.027 1.00 0.00 C ATOM 0 H ALA A 26 -6.794 -5.168 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.682 -4.040 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.289 -2.621 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.989 -2.568 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.522 -3.542 -3.041 1.00 0.00 H new ATOM 358 N SER A 27 -2.826 -5.494 -5.232 1.00 0.00 N ATOM 359 CA SER A 27 -1.676 -6.300 -4.839 1.00 0.00 C ATOM 360 C SER A 27 -0.832 -5.571 -3.798 1.00 0.00 C ATOM 361 O SER A 27 -0.848 -4.342 -3.720 1.00 0.00 O ATOM 362 CB SER A 27 -0.820 -6.637 -6.062 1.00 0.00 C ATOM 363 OG SER A 27 -1.301 -7.798 -6.716 1.00 0.00 O ATOM 0 H SER A 27 -2.789 -5.145 -6.190 1.00 0.00 H new ATOM 0 HA SER A 27 -2.046 -7.225 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.825 -5.796 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.214 -6.791 -5.755 1.00 0.00 H new ATOM 0 HG SER A 27 -0.739 -7.991 -7.495 1.00 0.00 H new ATOM 369 N ARG A 28 -0.095 -6.337 -3.001 1.00 0.00 N ATOM 370 CA ARG A 28 0.755 -5.766 -1.964 1.00 0.00 C ATOM 371 C ARG A 28 1.430 -4.489 -2.456 1.00 0.00 C ATOM 372 O ARG A 28 1.601 -3.534 -1.699 1.00 0.00 O ATOM 373 CB ARG A 28 1.815 -6.779 -1.526 1.00 0.00 C ATOM 374 CG ARG A 28 2.518 -7.464 -2.687 1.00 0.00 C ATOM 375 CD ARG A 28 3.802 -8.144 -2.237 1.00 0.00 C ATOM 376 NE ARG A 28 3.572 -9.524 -1.818 1.00 0.00 N ATOM 377 CZ ARG A 28 3.159 -9.864 -0.603 1.00 0.00 C ATOM 378 NH1 ARG A 28 2.930 -8.929 0.309 1.00 0.00 N ATOM 379 NH2 ARG A 28 2.972 -11.142 -0.297 1.00 0.00 N ATOM 0 H ARG A 28 -0.069 -7.355 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 28 0.125 -5.518 -1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.558 -6.272 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.345 -7.536 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.851 -8.202 -3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.745 -6.730 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.525 -8.128 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.240 -7.583 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 28 3.738 -10.268 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.071 -7.946 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.613 -9.193 1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.146 -11.864 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.655 -11.402 0.637 1.00 0.00 H new ATOM 393 N GLU A 29 1.813 -4.481 -3.730 1.00 0.00 N ATOM 394 CA GLU A 29 2.470 -3.323 -4.322 1.00 0.00 C ATOM 395 C GLU A 29 1.488 -2.167 -4.490 1.00 0.00 C ATOM 396 O GLU A 29 1.766 -1.040 -4.081 1.00 0.00 O ATOM 397 CB GLU A 29 3.078 -3.691 -5.677 1.00 0.00 C ATOM 398 CG GLU A 29 4.087 -4.824 -5.604 1.00 0.00 C ATOM 399 CD GLU A 29 4.864 -4.999 -6.895 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.100 -3.987 -7.587 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.235 -6.148 -7.212 1.00 0.00 O ATOM 0 H GLU A 29 1.679 -5.263 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 29 3.266 -3.006 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.277 -3.973 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.563 -2.811 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.784 -4.632 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.568 -5.753 -5.368 1.00 0.00 H new ATOM 408 N GLN A 30 0.341 -2.456 -5.095 1.00 0.00 N ATOM 409 CA GLN A 30 -0.682 -1.441 -5.318 1.00 0.00 C ATOM 410 C GLN A 30 -0.993 -0.689 -4.028 1.00 0.00 C ATOM 411 O GLN A 30 -1.162 0.531 -4.033 1.00 0.00 O ATOM 412 CB GLN A 30 -1.956 -2.082 -5.870 1.00 0.00 C ATOM 413 CG GLN A 30 -1.778 -2.703 -7.246 1.00 0.00 C ATOM 414 CD GLN A 30 -2.063 -1.726 -8.369 1.00 0.00 C ATOM 415 OE1 GLN A 30 -1.784 -0.532 -8.254 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.623 -2.228 -9.463 1.00 0.00 N ATOM 0 H GLN A 30 0.096 -3.384 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.298 -0.729 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.297 -2.850 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.740 -1.327 -5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.758 -3.075 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.441 -3.563 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.837 -3.224 -9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.839 -1.618 -10.251 1.00 0.00 H new ATOM 425 N LEU A 31 -1.070 -1.425 -2.925 1.00 0.00 N ATOM 426 CA LEU A 31 -1.362 -0.828 -1.626 1.00 0.00 C ATOM 427 C LEU A 31 -0.388 0.304 -1.315 1.00 0.00 C ATOM 428 O LEU A 31 -0.792 1.384 -0.882 1.00 0.00 O ATOM 429 CB LEU A 31 -1.294 -1.891 -0.528 1.00 0.00 C ATOM 430 CG LEU A 31 -2.534 -2.772 -0.368 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.760 -1.920 -0.078 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.752 -3.616 -1.616 1.00 0.00 C ATOM 0 H LEU A 31 -0.934 -2.436 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.370 -0.415 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.438 -2.536 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.103 -1.392 0.422 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.374 -3.442 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.633 -2.564 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.604 -1.359 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.924 -1.226 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.638 -4.237 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.891 -2.963 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.883 -4.254 -1.780 1.00 0.00 H new ATOM 444 N LEU A 32 0.896 0.051 -1.541 1.00 0.00 N ATOM 445 CA LEU A 32 1.929 1.049 -1.288 1.00 0.00 C ATOM 446 C LEU A 32 1.831 2.200 -2.285 1.00 0.00 C ATOM 447 O LEU A 32 1.756 3.366 -1.897 1.00 0.00 O ATOM 448 CB LEU A 32 3.316 0.409 -1.366 1.00 0.00 C ATOM 449 CG LEU A 32 4.423 1.107 -0.576 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.539 0.512 0.819 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.750 1.005 -1.313 1.00 0.00 C ATOM 0 H LEU A 32 1.247 -0.837 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 32 1.776 1.447 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.240 -0.620 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.616 0.366 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 32 4.164 2.161 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.332 1.021 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.594 0.638 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.774 -0.550 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.526 1.507 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.015 -0.044 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.661 1.479 -2.291 1.00 0.00 H new ATOM 463 N TYR A 33 1.829 1.863 -3.570 1.00 0.00 N ATOM 464 CA TYR A 33 1.739 2.868 -4.623 1.00 0.00 C ATOM 465 C TYR A 33 0.811 4.006 -4.212 1.00 0.00 C ATOM 466 O TYR A 33 1.204 5.174 -4.208 1.00 0.00 O ATOM 467 CB TYR A 33 1.242 2.232 -5.922 1.00 0.00 C ATOM 468 CG TYR A 33 1.527 3.065 -7.152 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.832 3.297 -7.569 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.493 3.619 -7.895 1.00 0.00 C ATOM 471 CE1 TYR A 33 3.098 4.058 -8.691 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.749 4.380 -9.020 1.00 0.00 C ATOM 473 CZ TYR A 33 2.053 4.596 -9.413 1.00 0.00 C ATOM 474 OH TYR A 33 2.313 5.355 -10.532 1.00 0.00 O ATOM 0 H TYR A 33 1.889 0.902 -3.908 1.00 0.00 H new ATOM 0 HA TYR A 33 2.736 3.278 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.709 1.254 -6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.167 2.065 -5.847 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.652 2.875 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.529 3.452 -7.588 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.118 4.231 -9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.067 4.803 -9.588 1.00 0.00 H new ATOM 0 HH TYR A 33 1.501 5.834 -10.798 1.00 0.00 H new ATOM 484 N LEU A 34 -0.424 3.659 -3.866 1.00 0.00 N ATOM 485 CA LEU A 34 -1.410 4.650 -3.452 1.00 0.00 C ATOM 486 C LEU A 34 -0.951 5.385 -2.197 1.00 0.00 C ATOM 487 O LEU A 34 -1.246 6.566 -2.014 1.00 0.00 O ATOM 488 CB LEU A 34 -2.761 3.979 -3.198 1.00 0.00 C ATOM 489 CG LEU A 34 -3.307 3.116 -4.337 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.597 2.430 -3.915 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.531 3.958 -5.584 1.00 0.00 C ATOM 0 H LEU A 34 -0.766 2.698 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.517 5.377 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.673 3.357 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.493 4.755 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.570 2.347 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.971 1.820 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.405 1.794 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.341 3.183 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.919 3.328 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.248 4.749 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.586 4.401 -5.898 1.00 0.00 H new ATOM 503 N TYR A 35 -0.224 4.680 -1.338 1.00 0.00 N ATOM 504 CA TYR A 35 0.277 5.265 -0.100 1.00 0.00 C ATOM 505 C TYR A 35 1.360 6.299 -0.386 1.00 0.00 C ATOM 506 O TYR A 35 1.374 7.380 0.203 1.00 0.00 O ATOM 507 CB TYR A 35 0.828 4.173 0.818 1.00 0.00 C ATOM 508 CG TYR A 35 1.682 4.705 1.947 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.002 5.080 1.728 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.170 4.831 3.232 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.786 5.566 2.756 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.946 5.318 4.266 1.00 0.00 C ATOM 513 CZ TYR A 35 3.254 5.684 4.023 1.00 0.00 C ATOM 514 OH TYR A 35 4.031 6.167 5.051 1.00 0.00 O ATOM 0 H TYR A 35 0.032 3.702 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.554 5.764 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.005 3.609 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.419 3.475 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.422 4.990 0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.147 4.543 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.810 5.852 2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.531 5.412 5.259 1.00 0.00 H new ATOM 0 HH TYR A 35 3.504 6.188 5.877 1.00 0.00 H new ATOM 524 N ALA A 36 2.268 5.960 -1.295 1.00 0.00 N ATOM 525 CA ALA A 36 3.355 6.859 -1.663 1.00 0.00 C ATOM 526 C ALA A 36 2.822 8.236 -2.045 1.00 0.00 C ATOM 527 O ALA A 36 3.110 9.231 -1.379 1.00 0.00 O ATOM 528 CB ALA A 36 4.165 6.268 -2.807 1.00 0.00 C ATOM 0 H ALA A 36 2.272 5.068 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 36 4.005 6.977 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.973 6.950 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.585 5.310 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.518 6.119 -3.672 1.00 0.00 H new ATOM 534 N ARG A 37 2.046 8.287 -3.123 1.00 0.00 N ATOM 535 CA ARG A 37 1.475 9.542 -3.595 1.00 0.00 C ATOM 536 C ARG A 37 0.501 10.116 -2.570 1.00 0.00 C ATOM 537 O ARG A 37 0.503 11.318 -2.302 1.00 0.00 O ATOM 538 CB ARG A 37 0.760 9.332 -4.931 1.00 0.00 C ATOM 539 CG ARG A 37 1.706 9.106 -6.099 1.00 0.00 C ATOM 540 CD ARG A 37 0.962 8.621 -7.333 1.00 0.00 C ATOM 541 NE ARG A 37 -0.009 7.579 -7.012 1.00 0.00 N ATOM 542 CZ ARG A 37 0.328 6.356 -6.617 1.00 0.00 C ATOM 543 NH1 ARG A 37 1.606 6.024 -6.496 1.00 0.00 N ATOM 544 NH2 ARG A 37 -0.614 5.462 -6.343 1.00 0.00 N ATOM 0 H ARG A 37 1.799 7.473 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 37 2.290 10.252 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.091 8.475 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.138 10.202 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.229 10.034 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.464 8.374 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.450 9.462 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.678 8.238 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.001 7.802 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.333 6.708 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.862 5.085 -6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.598 5.713 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.354 4.523 -6.040 1.00 0.00 H new ATOM 558 N TYR A 38 -0.330 9.250 -2.001 1.00 0.00 N ATOM 559 CA TYR A 38 -1.311 9.671 -1.008 1.00 0.00 C ATOM 560 C TYR A 38 -0.644 10.453 0.119 1.00 0.00 C ATOM 561 O TYR A 38 -1.214 11.404 0.654 1.00 0.00 O ATOM 562 CB TYR A 38 -2.043 8.455 -0.436 1.00 0.00 C ATOM 563 CG TYR A 38 -2.914 8.779 0.757 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.351 9.119 1.981 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.299 8.743 0.660 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.142 9.414 3.074 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.098 9.039 1.748 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.515 9.373 2.952 1.00 0.00 C ATOM 569 OH TYR A 38 -5.308 9.667 4.038 1.00 0.00 O ATOM 0 H TYR A 38 -0.344 8.252 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.032 10.323 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.661 8.013 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.309 7.703 -0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.276 9.153 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.759 8.479 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.688 9.675 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.174 9.009 1.656 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.252 9.593 3.784 1.00 0.00 H new ATOM 579 N LYS A 39 0.570 10.046 0.476 1.00 0.00 N ATOM 580 CA LYS A 39 1.318 10.708 1.538 1.00 0.00 C ATOM 581 C LYS A 39 1.982 11.981 1.023 1.00 0.00 C ATOM 582 O LYS A 39 2.220 12.918 1.785 1.00 0.00 O ATOM 583 CB LYS A 39 2.378 9.763 2.108 1.00 0.00 C ATOM 584 CG LYS A 39 1.826 8.759 3.105 1.00 0.00 C ATOM 585 CD LYS A 39 1.589 9.395 4.464 1.00 0.00 C ATOM 586 CE LYS A 39 2.899 9.785 5.132 1.00 0.00 C ATOM 587 NZ LYS A 39 2.720 10.063 6.584 1.00 0.00 N ATOM 0 H LYS A 39 1.057 9.260 0.045 1.00 0.00 H new ATOM 0 HA LYS A 39 0.617 10.978 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.851 9.224 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.156 10.353 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.890 8.347 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.522 7.927 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.961 10.278 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.046 8.699 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.625 8.983 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.308 10.668 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.635 10.325 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.046 10.845 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.354 9.213 7.058 1.00 0.00 H new ATOM 601 N GLN A 40 2.275 12.009 -0.273 1.00 0.00 N ATOM 602 CA GLN A 40 2.909 13.169 -0.887 1.00 0.00 C ATOM 603 C GLN A 40 1.919 14.320 -1.028 1.00 0.00 C ATOM 604 O GLN A 40 2.303 15.489 -1.002 1.00 0.00 O ATOM 605 CB GLN A 40 3.478 12.799 -2.258 1.00 0.00 C ATOM 606 CG GLN A 40 4.062 13.981 -3.014 1.00 0.00 C ATOM 607 CD GLN A 40 5.291 14.556 -2.338 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.986 13.864 -1.594 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.566 15.830 -2.594 1.00 0.00 N ATOM 0 H GLN A 40 2.084 11.242 -0.918 1.00 0.00 H new ATOM 0 HA GLN A 40 3.723 13.492 -0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.252 12.043 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.689 12.348 -2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.321 13.668 -4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.304 14.759 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.963 16.367 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.381 16.272 -2.167 1.00 0.00 H new ATOM 618 N VAL A 41 0.643 13.981 -1.178 1.00 0.00 N ATOM 619 CA VAL A 41 -0.403 14.987 -1.323 1.00 0.00 C ATOM 620 C VAL A 41 -0.886 15.477 0.038 1.00 0.00 C ATOM 621 O VAL A 41 -1.335 16.615 0.177 1.00 0.00 O ATOM 622 CB VAL A 41 -1.605 14.437 -2.114 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.131 13.566 -3.268 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.536 13.660 -1.196 1.00 0.00 C ATOM 0 H VAL A 41 0.308 13.018 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 41 0.034 15.821 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.160 15.278 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.994 13.186 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.508 14.158 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.552 12.729 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.380 13.279 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.994 12.826 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.902 14.318 -0.408 1.00 0.00 H new ATOM 634 N LYS A 42 -0.789 14.611 1.041 1.00 0.00 N ATOM 635 CA LYS A 42 -1.214 14.955 2.393 1.00 0.00 C ATOM 636 C LYS A 42 -0.086 15.636 3.161 1.00 0.00 C ATOM 637 O LYS A 42 -0.311 16.605 3.886 1.00 0.00 O ATOM 638 CB LYS A 42 -1.670 13.701 3.141 1.00 0.00 C ATOM 639 CG LYS A 42 -2.944 13.089 2.583 1.00 0.00 C ATOM 640 CD LYS A 42 -4.157 13.951 2.889 1.00 0.00 C ATOM 641 CE LYS A 42 -5.415 13.393 2.242 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.650 13.893 2.907 1.00 0.00 N ATOM 0 H LYS A 42 -0.420 13.665 0.943 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.050 15.650 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.874 12.957 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.826 13.951 4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.847 12.965 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.087 12.095 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.298 14.012 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.983 14.966 2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.434 13.668 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.394 12.304 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.485 13.490 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.645 13.609 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.684 14.930 2.842 1.00 0.00 H new ATOM 656 N VAL A 43 1.130 15.124 2.996 1.00 0.00 N ATOM 657 CA VAL A 43 2.294 15.685 3.671 1.00 0.00 C ATOM 658 C VAL A 43 3.078 16.606 2.743 1.00 0.00 C ATOM 659 O VAL A 43 3.158 17.812 2.972 1.00 0.00 O ATOM 660 CB VAL A 43 3.231 14.576 4.188 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.443 15.181 4.879 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.482 13.641 5.126 1.00 0.00 C ATOM 0 H VAL A 43 1.334 14.321 2.400 1.00 0.00 H new ATOM 0 HA VAL A 43 1.921 16.261 4.518 1.00 0.00 H new ATOM 0 HB VAL A 43 3.582 13.994 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.093 14.383 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.990 15.806 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.115 15.789 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.158 12.864 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.101 14.207 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.650 13.181 4.593 1.00 0.00 H new ATOM 672 N GLY A 44 3.654 16.028 1.693 1.00 0.00 N ATOM 673 CA GLY A 44 4.424 16.812 0.745 1.00 0.00 C ATOM 674 C GLY A 44 5.874 16.376 0.675 1.00 0.00 C ATOM 675 O GLY A 44 6.178 15.188 0.777 1.00 0.00 O ATOM 0 H GLY A 44 3.601 15.031 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.974 16.726 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.377 17.864 1.026 1.00 0.00 H new ATOM 679 N ASN A 45 6.772 17.340 0.499 1.00 0.00 N ATOM 680 CA ASN A 45 8.199 17.049 0.413 1.00 0.00 C ATOM 681 C ASN A 45 8.644 16.164 1.573 1.00 0.00 C ATOM 682 O ASN A 45 8.570 16.562 2.736 1.00 0.00 O ATOM 683 CB ASN A 45 9.006 18.349 0.410 1.00 0.00 C ATOM 684 CG ASN A 45 10.494 18.104 0.250 1.00 0.00 C ATOM 685 OD1 ASN A 45 11.235 18.056 1.232 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.938 17.950 -0.992 1.00 0.00 N ATOM 0 H ASN A 45 6.537 18.329 0.413 1.00 0.00 H new ATOM 0 HA ASN A 45 8.380 16.514 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.656 18.989 -0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.827 18.887 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.930 17.784 -1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.287 17.998 -1.776 1.00 0.00 H new ATOM 693 N CYS A 46 9.107 14.962 1.248 1.00 0.00 N ATOM 694 CA CYS A 46 9.565 14.019 2.263 1.00 0.00 C ATOM 695 C CYS A 46 10.290 14.745 3.392 1.00 0.00 C ATOM 696 O CYS A 46 11.484 15.022 3.298 1.00 0.00 O ATOM 697 CB CYS A 46 10.488 12.973 1.637 1.00 0.00 C ATOM 698 SG CYS A 46 10.645 11.453 2.605 1.00 0.00 S ATOM 0 H CYS A 46 9.175 14.617 0.290 1.00 0.00 H new ATOM 0 HA CYS A 46 8.691 13.519 2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.114 12.722 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.478 13.410 1.504 1.00 0.00 H new ATOM 0 HG CYS A 46 11.655 11.558 3.417 1.00 0.00 H new ATOM 704 N ASN A 47 9.557 15.050 4.458 1.00 0.00 N ATOM 705 CA ASN A 47 10.130 15.746 5.605 1.00 0.00 C ATOM 706 C ASN A 47 10.277 14.803 6.795 1.00 0.00 C ATOM 707 O ASN A 47 10.263 15.234 7.949 1.00 0.00 O ATOM 708 CB ASN A 47 9.256 16.941 5.991 1.00 0.00 C ATOM 709 CG ASN A 47 7.807 16.550 6.211 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.038 16.414 5.260 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.428 16.368 7.471 1.00 0.00 N ATOM 0 H ASN A 47 8.566 14.827 4.552 1.00 0.00 H new ATOM 0 HA ASN A 47 11.120 16.105 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.649 17.396 6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.311 17.696 5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.465 16.105 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.100 16.492 8.229 1.00 0.00 H new ATOM 718 N THR A 48 10.419 13.513 6.507 1.00 0.00 N ATOM 719 CA THR A 48 10.568 12.508 7.553 1.00 0.00 C ATOM 720 C THR A 48 11.915 11.803 7.449 1.00 0.00 C ATOM 721 O THR A 48 12.515 11.712 6.378 1.00 0.00 O ATOM 722 CB THR A 48 9.444 11.457 7.486 1.00 0.00 C ATOM 723 OG1 THR A 48 9.121 11.171 6.121 1.00 0.00 O ATOM 724 CG2 THR A 48 8.202 11.945 8.215 1.00 0.00 C ATOM 0 H THR A 48 10.434 13.139 5.558 1.00 0.00 H new ATOM 0 HA THR A 48 10.508 13.032 8.507 1.00 0.00 H new ATOM 0 HB THR A 48 9.798 10.548 7.973 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.147 11.140 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.422 11.186 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.444 12.133 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.848 12.867 7.753 1.00 0.00 H new ATOM 732 N PRO A 49 12.405 11.291 8.588 1.00 0.00 N ATOM 733 CA PRO A 49 13.687 10.583 8.651 1.00 0.00 C ATOM 734 C PRO A 49 13.638 9.231 7.949 1.00 0.00 C ATOM 735 O PRO A 49 12.595 8.576 7.912 1.00 0.00 O ATOM 736 CB PRO A 49 13.917 10.398 10.153 1.00 0.00 C ATOM 737 CG PRO A 49 12.553 10.421 10.751 1.00 0.00 C ATOM 738 CD PRO A 49 11.745 11.363 9.902 1.00 0.00 C ATOM 0 HA PRO A 49 14.482 11.135 8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.425 9.457 10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.541 11.194 10.559 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.112 9.424 10.756 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.586 10.760 11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.701 11.056 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.758 12.377 10.303 1.00 0.00 H new ATOM 746 N LYS A 50 14.771 8.816 7.393 1.00 0.00 N ATOM 747 CA LYS A 50 14.858 7.539 6.694 1.00 0.00 C ATOM 748 C LYS A 50 14.784 6.374 7.676 1.00 0.00 C ATOM 749 O LYS A 50 15.376 6.402 8.755 1.00 0.00 O ATOM 750 CB LYS A 50 16.159 7.462 5.892 1.00 0.00 C ATOM 751 CG LYS A 50 16.290 6.194 5.066 1.00 0.00 C ATOM 752 CD LYS A 50 17.674 6.070 4.450 1.00 0.00 C ATOM 753 CE LYS A 50 17.726 6.695 3.065 1.00 0.00 C ATOM 754 NZ LYS A 50 19.113 6.736 2.526 1.00 0.00 N ATOM 0 H LYS A 50 15.642 9.346 7.413 1.00 0.00 H new ATOM 0 HA LYS A 50 14.012 7.469 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.219 8.325 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.003 7.528 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.092 5.327 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.538 6.193 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.406 6.554 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.952 5.018 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.089 6.127 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.323 7.707 3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.105 7.169 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.715 7.299 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.489 5.768 2.461 1.00 0.00 H new ATOM 768 N PRO A 51 14.041 5.325 7.294 1.00 0.00 N ATOM 769 CA PRO A 51 13.874 4.129 8.126 1.00 0.00 C ATOM 770 C PRO A 51 15.156 3.310 8.228 1.00 0.00 C ATOM 771 O PRO A 51 16.070 3.466 7.418 1.00 0.00 O ATOM 772 CB PRO A 51 12.789 3.336 7.394 1.00 0.00 C ATOM 773 CG PRO A 51 12.888 3.780 5.975 1.00 0.00 C ATOM 774 CD PRO A 51 13.308 5.223 6.022 1.00 0.00 C ATOM 0 HA PRO A 51 13.616 4.381 9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.954 2.262 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.801 3.543 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.615 3.180 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.932 3.668 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.939 5.485 5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.448 5.892 5.999 1.00 0.00 H new ATOM 782 N SER A 52 15.217 2.436 9.228 1.00 0.00 N ATOM 783 CA SER A 52 16.389 1.594 9.438 1.00 0.00 C ATOM 784 C SER A 52 16.550 0.595 8.297 1.00 0.00 C ATOM 785 O SER A 52 15.669 0.456 7.448 1.00 0.00 O ATOM 786 CB SER A 52 16.277 0.851 10.770 1.00 0.00 C ATOM 787 OG SER A 52 17.543 0.378 11.198 1.00 0.00 O ATOM 0 H SER A 52 14.468 2.293 9.906 1.00 0.00 H new ATOM 0 HA SER A 52 17.269 2.237 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.859 1.515 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.588 0.013 10.666 1.00 0.00 H new ATOM 0 HG SER A 52 17.445 -0.092 12.052 1.00 0.00 H new ATOM 793 N PHE A 53 17.683 -0.100 8.283 1.00 0.00 N ATOM 794 CA PHE A 53 17.962 -1.087 7.246 1.00 0.00 C ATOM 795 C PHE A 53 17.165 -2.365 7.484 1.00 0.00 C ATOM 796 O PHE A 53 16.698 -3.004 6.540 1.00 0.00 O ATOM 797 CB PHE A 53 19.458 -1.406 7.206 1.00 0.00 C ATOM 798 CG PHE A 53 19.831 -2.401 6.144 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.769 -2.058 4.803 1.00 0.00 C ATOM 800 CD2 PHE A 53 20.243 -3.678 6.487 1.00 0.00 C ATOM 801 CE1 PHE A 53 20.110 -2.972 3.824 1.00 0.00 C ATOM 802 CE2 PHE A 53 20.586 -4.597 5.512 1.00 0.00 C ATOM 803 CZ PHE A 53 20.520 -4.243 4.179 1.00 0.00 C ATOM 0 H PHE A 53 18.423 0.002 8.978 1.00 0.00 H new ATOM 0 HA PHE A 53 17.661 -0.665 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 53 20.014 -0.483 7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.765 -1.792 8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 53 19.451 -1.066 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.297 -3.960 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.056 -2.693 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.905 -5.590 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 53 20.788 -4.958 3.415 1.00 0.00 H new ATOM 813 N PHE A 54 17.012 -2.734 8.751 1.00 0.00 N ATOM 814 CA PHE A 54 16.273 -3.937 9.114 1.00 0.00 C ATOM 815 C PHE A 54 14.778 -3.752 8.867 1.00 0.00 C ATOM 816 O PHE A 54 14.101 -4.658 8.382 1.00 0.00 O ATOM 817 CB PHE A 54 16.519 -4.290 10.582 1.00 0.00 C ATOM 818 CG PHE A 54 17.974 -4.402 10.936 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.871 -4.986 10.055 1.00 0.00 C ATOM 820 CD2 PHE A 54 18.446 -3.925 12.148 1.00 0.00 C ATOM 821 CE1 PHE A 54 20.211 -5.091 10.379 1.00 0.00 C ATOM 822 CE2 PHE A 54 19.784 -4.028 12.477 1.00 0.00 C ATOM 823 CZ PHE A 54 20.668 -4.610 11.590 1.00 0.00 C ATOM 0 H PHE A 54 17.390 -2.217 9.544 1.00 0.00 H new ATOM 0 HA PHE A 54 16.629 -4.755 8.487 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.057 -3.530 11.212 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.025 -5.235 10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.519 -5.363 9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.759 -3.467 12.844 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.900 -5.549 9.685 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.138 -3.654 13.426 1.00 0.00 H new ATOM 0 HZ PHE A 54 21.715 -4.689 11.843 1.00 0.00 H new ATOM 833 N ASP A 55 14.271 -2.572 9.206 1.00 0.00 N ATOM 834 CA ASP A 55 12.857 -2.266 9.021 1.00 0.00 C ATOM 835 C ASP A 55 12.518 -2.136 7.539 1.00 0.00 C ATOM 836 O ASP A 55 12.428 -1.030 7.007 1.00 0.00 O ATOM 837 CB ASP A 55 12.493 -0.975 9.755 1.00 0.00 C ATOM 838 CG ASP A 55 11.052 -0.964 10.228 1.00 0.00 C ATOM 839 OD1 ASP A 55 10.533 -2.046 10.574 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.444 0.126 10.253 1.00 0.00 O ATOM 0 H ASP A 55 14.818 -1.812 9.610 1.00 0.00 H new ATOM 0 HA ASP A 55 12.275 -3.088 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.155 -0.849 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.662 -0.125 9.094 1.00 0.00 H new ATOM 845 N PHE A 56 12.332 -3.274 6.879 1.00 0.00 N ATOM 846 CA PHE A 56 12.005 -3.288 5.457 1.00 0.00 C ATOM 847 C PHE A 56 10.606 -2.729 5.216 1.00 0.00 C ATOM 848 O PHE A 56 10.431 -1.768 4.468 1.00 0.00 O ATOM 849 CB PHE A 56 12.100 -4.712 4.905 1.00 0.00 C ATOM 850 CG PHE A 56 13.023 -5.599 5.690 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.554 -6.319 6.777 1.00 0.00 C ATOM 852 CD2 PHE A 56 14.359 -5.714 5.341 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.400 -7.137 7.502 1.00 0.00 C ATOM 854 CE2 PHE A 56 15.210 -6.530 6.062 1.00 0.00 C ATOM 855 CZ PHE A 56 14.730 -7.242 7.144 1.00 0.00 C ATOM 0 H PHE A 56 12.402 -4.198 7.305 1.00 0.00 H new ATOM 0 HA PHE A 56 12.724 -2.655 4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.105 -5.156 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.442 -4.670 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.515 -6.240 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.740 -5.160 4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.022 -7.693 8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.249 -6.611 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.394 -7.880 7.709 1.00 0.00 H new ATOM 865 N GLU A 57 9.612 -3.340 5.854 1.00 0.00 N ATOM 866 CA GLU A 57 8.229 -2.905 5.707 1.00 0.00 C ATOM 867 C GLU A 57 8.145 -1.385 5.596 1.00 0.00 C ATOM 868 O GLU A 57 7.538 -0.852 4.669 1.00 0.00 O ATOM 869 CB GLU A 57 7.390 -3.387 6.893 1.00 0.00 C ATOM 870 CG GLU A 57 7.599 -4.854 7.229 1.00 0.00 C ATOM 871 CD GLU A 57 6.631 -5.354 8.284 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.473 -5.658 7.930 1.00 0.00 O ATOM 873 OE2 GLU A 57 7.031 -5.441 9.464 1.00 0.00 O ATOM 0 H GLU A 57 9.740 -4.137 6.477 1.00 0.00 H new ATOM 0 HA GLU A 57 7.834 -3.342 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.633 -2.784 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.336 -3.220 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.484 -5.450 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.621 -5.001 7.580 1.00 0.00 H new ATOM 880 N GLY A 58 8.761 -0.693 6.550 1.00 0.00 N ATOM 881 CA GLY A 58 8.745 0.758 6.542 1.00 0.00 C ATOM 882 C GLY A 58 9.680 1.343 5.502 1.00 0.00 C ATOM 883 O GLY A 58 9.466 2.455 5.018 1.00 0.00 O ATOM 0 H GLY A 58 9.271 -1.112 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.730 1.106 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.027 1.127 7.528 1.00 0.00 H new ATOM 887 N LYS A 59 10.722 0.593 5.157 1.00 0.00 N ATOM 888 CA LYS A 59 11.694 1.043 4.168 1.00 0.00 C ATOM 889 C LYS A 59 11.007 1.411 2.857 1.00 0.00 C ATOM 890 O LYS A 59 11.102 2.547 2.394 1.00 0.00 O ATOM 891 CB LYS A 59 12.740 -0.046 3.919 1.00 0.00 C ATOM 892 CG LYS A 59 13.940 0.433 3.122 1.00 0.00 C ATOM 893 CD LYS A 59 15.184 -0.378 3.444 1.00 0.00 C ATOM 894 CE LYS A 59 15.114 -1.770 2.836 1.00 0.00 C ATOM 895 NZ LYS A 59 14.937 -1.722 1.359 1.00 0.00 N ATOM 0 H LYS A 59 10.914 -0.329 5.548 1.00 0.00 H new ATOM 0 HA LYS A 59 12.189 1.932 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.083 -0.434 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.270 -0.875 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.723 0.360 2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.125 1.485 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.066 0.141 3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.298 -0.457 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.026 -2.317 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.286 -2.320 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.243 -2.625 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.935 -1.559 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.510 -0.948 0.966 1.00 0.00 H new ATOM 909 N GLN A 60 10.314 0.443 2.266 1.00 0.00 N ATOM 910 CA GLN A 60 9.610 0.668 1.009 1.00 0.00 C ATOM 911 C GLN A 60 8.719 1.902 1.096 1.00 0.00 C ATOM 912 O GLN A 60 8.753 2.769 0.222 1.00 0.00 O ATOM 913 CB GLN A 60 8.769 -0.558 0.645 1.00 0.00 C ATOM 914 CG GLN A 60 7.882 -1.045 1.778 1.00 0.00 C ATOM 915 CD GLN A 60 7.147 -2.326 1.435 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.162 -3.289 2.203 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.499 -2.345 0.276 1.00 0.00 N ATOM 0 H GLN A 60 10.225 -0.503 2.637 1.00 0.00 H new ATOM 0 HA GLN A 60 10.354 0.835 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.145 -0.318 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.433 -1.367 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.491 -1.207 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.157 -0.270 2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.513 -1.524 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.987 -3.180 -0.008 1.00 0.00 H new ATOM 926 N LYS A 61 7.921 1.976 2.156 1.00 0.00 N ATOM 927 CA LYS A 61 7.021 3.105 2.360 1.00 0.00 C ATOM 928 C LYS A 61 7.767 4.428 2.222 1.00 0.00 C ATOM 929 O LYS A 61 7.521 5.196 1.292 1.00 0.00 O ATOM 930 CB LYS A 61 6.365 3.018 3.740 1.00 0.00 C ATOM 931 CG LYS A 61 5.640 1.706 3.987 1.00 0.00 C ATOM 932 CD LYS A 61 4.545 1.862 5.029 1.00 0.00 C ATOM 933 CE LYS A 61 3.217 2.238 4.389 1.00 0.00 C ATOM 934 NZ LYS A 61 2.077 2.056 5.329 1.00 0.00 N ATOM 0 H LYS A 61 7.879 1.267 2.888 1.00 0.00 H new ATOM 0 HA LYS A 61 6.247 3.063 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.130 3.151 4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.658 3.840 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.207 1.347 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.354 0.951 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.432 0.930 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.833 2.628 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.254 3.276 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.056 1.627 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.449 1.308 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.439 1.786 6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.546 2.947 5.407 1.00 0.00 H new ATOM 948 N TRP A 62 8.679 4.686 3.152 1.00 0.00 N ATOM 949 CA TRP A 62 9.463 5.917 3.133 1.00 0.00 C ATOM 950 C TRP A 62 10.107 6.131 1.768 1.00 0.00 C ATOM 951 O TRP A 62 10.194 7.258 1.284 1.00 0.00 O ATOM 952 CB TRP A 62 10.540 5.877 4.219 1.00 0.00 C ATOM 953 CG TRP A 62 11.313 7.155 4.335 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.002 8.233 5.114 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.525 7.489 3.650 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.947 9.217 4.954 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.893 8.785 4.062 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.337 6.819 2.731 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.035 9.421 3.584 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.470 7.452 2.257 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.811 8.742 2.685 1.00 0.00 C ATOM 0 H TRP A 62 8.894 4.060 3.928 1.00 0.00 H new ATOM 0 HA TRP A 62 8.789 6.751 3.330 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.071 5.656 5.178 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.231 5.061 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.140 8.302 5.761 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.945 10.123 5.423 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.083 5.824 2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.299 10.416 3.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.103 6.944 1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.704 9.209 2.297 1.00 0.00 H new ATOM 972 N GLU A 63 10.557 5.041 1.153 1.00 0.00 N ATOM 973 CA GLU A 63 11.194 5.112 -0.157 1.00 0.00 C ATOM 974 C GLU A 63 10.209 5.603 -1.214 1.00 0.00 C ATOM 975 O GLU A 63 10.316 6.728 -1.702 1.00 0.00 O ATOM 976 CB GLU A 63 11.746 3.741 -0.555 1.00 0.00 C ATOM 977 CG GLU A 63 13.069 3.402 0.110 1.00 0.00 C ATOM 978 CD GLU A 63 13.834 2.322 -0.630 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.622 1.130 -0.323 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.643 2.668 -1.516 1.00 0.00 O ATOM 0 H GLU A 63 10.492 4.100 1.541 1.00 0.00 H new ATOM 0 HA GLU A 63 12.018 5.823 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.014 2.975 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.874 3.710 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.683 4.301 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.884 3.075 1.133 1.00 0.00 H new ATOM 987 N ALA A 64 9.252 4.750 -1.564 1.00 0.00 N ATOM 988 CA ALA A 64 8.248 5.096 -2.563 1.00 0.00 C ATOM 989 C ALA A 64 7.840 6.561 -2.446 1.00 0.00 C ATOM 990 O ALA A 64 7.880 7.306 -3.425 1.00 0.00 O ATOM 991 CB ALA A 64 7.031 4.195 -2.422 1.00 0.00 C ATOM 0 H ALA A 64 9.151 3.814 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 64 8.686 4.945 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.290 4.465 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.329 3.156 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.601 4.318 -1.428 1.00 0.00 H new ATOM 997 N TRP A 65 7.448 6.967 -1.244 1.00 0.00 N ATOM 998 CA TRP A 65 7.032 8.343 -1.000 1.00 0.00 C ATOM 999 C TRP A 65 8.208 9.302 -1.151 1.00 0.00 C ATOM 1000 O TRP A 65 8.081 10.364 -1.762 1.00 0.00 O ATOM 1001 CB TRP A 65 6.427 8.475 0.399 1.00 0.00 C ATOM 1002 CG TRP A 65 6.171 9.895 0.804 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.873 10.941 -0.021 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.193 10.423 2.135 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.708 12.089 0.717 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.898 11.798 2.042 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.430 9.869 3.396 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.836 12.623 3.162 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.369 10.690 4.506 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.073 12.054 4.383 1.00 0.00 C ATOM 0 H TRP A 65 7.409 6.363 -0.423 1.00 0.00 H new ATOM 0 HA TRP A 65 6.276 8.604 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.490 7.920 0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.099 8.014 1.123 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.781 10.876 -1.095 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.481 13.009 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.657 8.818 3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.609 13.675 3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.553 10.273 5.485 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.031 12.668 5.270 1.00 0.00 H new ATOM 1021 N LYS A 66 9.351 8.922 -0.592 1.00 0.00 N ATOM 1022 CA LYS A 66 10.551 9.748 -0.665 1.00 0.00 C ATOM 1023 C LYS A 66 10.828 10.177 -2.103 1.00 0.00 C ATOM 1024 O LYS A 66 11.076 11.352 -2.373 1.00 0.00 O ATOM 1025 CB LYS A 66 11.755 8.985 -0.108 1.00 0.00 C ATOM 1026 CG LYS A 66 13.087 9.654 -0.399 1.00 0.00 C ATOM 1027 CD LYS A 66 13.244 10.947 0.383 1.00 0.00 C ATOM 1028 CE LYS A 66 14.145 11.933 -0.345 1.00 0.00 C ATOM 1029 NZ LYS A 66 13.373 12.819 -1.259 1.00 0.00 N ATOM 0 H LYS A 66 9.472 8.047 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 66 10.385 10.641 -0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.640 8.878 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.763 7.979 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.900 8.974 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.166 9.861 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.265 11.398 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.660 10.730 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.681 12.541 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.895 11.386 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.986 13.134 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.562 12.296 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.030 13.647 -0.732 1.00 0.00 H new ATOM 1043 N ALA A 67 10.785 9.217 -3.021 1.00 0.00 N ATOM 1044 CA ALA A 67 11.028 9.497 -4.431 1.00 0.00 C ATOM 1045 C ALA A 67 10.209 10.694 -4.902 1.00 0.00 C ATOM 1046 O ALA A 67 10.597 11.396 -5.837 1.00 0.00 O ATOM 1047 CB ALA A 67 10.709 8.272 -5.275 1.00 0.00 C ATOM 0 H ALA A 67 10.584 8.239 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 67 12.083 9.742 -4.551 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.895 8.495 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.341 7.441 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.662 8.001 -5.142 1.00 0.00 H new ATOM 1053 N LEU A 68 9.073 10.921 -4.250 1.00 0.00 N ATOM 1054 CA LEU A 68 8.198 12.034 -4.604 1.00 0.00 C ATOM 1055 C LEU A 68 8.587 13.296 -3.840 1.00 0.00 C ATOM 1056 O LEU A 68 7.740 13.955 -3.238 1.00 0.00 O ATOM 1057 CB LEU A 68 6.741 11.675 -4.310 1.00 0.00 C ATOM 1058 CG LEU A 68 6.232 10.373 -4.931 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.827 10.061 -4.439 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.260 10.460 -6.450 1.00 0.00 C ATOM 0 H LEU A 68 8.737 10.350 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 68 8.310 12.228 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.614 11.613 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.109 12.492 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 68 6.892 9.563 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.481 9.131 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.836 9.955 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.155 10.872 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.895 9.525 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.624 11.281 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.282 10.636 -6.786 1.00 0.00 H new ATOM 1072 N GLY A 69 9.874 13.628 -3.871 1.00 0.00 N ATOM 1073 CA GLY A 69 10.352 14.811 -3.180 1.00 0.00 C ATOM 1074 C GLY A 69 9.676 16.078 -3.665 1.00 0.00 C ATOM 1075 O GLY A 69 8.958 16.734 -2.911 1.00 0.00 O ATOM 0 H GLY A 69 10.594 13.099 -4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.179 14.698 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.429 14.900 -3.321 1.00 0.00 H new ATOM 1079 N ASP A 70 9.907 16.425 -4.927 1.00 0.00 N ATOM 1080 CA ASP A 70 9.316 17.622 -5.511 1.00 0.00 C ATOM 1081 C ASP A 70 8.131 17.264 -6.403 1.00 0.00 C ATOM 1082 O ASP A 70 8.001 17.776 -7.515 1.00 0.00 O ATOM 1083 CB ASP A 70 10.363 18.392 -6.318 1.00 0.00 C ATOM 1084 CG ASP A 70 10.757 17.671 -7.592 1.00 0.00 C ATOM 1085 OD1 ASP A 70 10.811 16.424 -7.575 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.014 18.354 -8.606 1.00 0.00 O ATOM 0 H ASP A 70 10.500 15.893 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 70 8.958 18.254 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.972 19.378 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.249 18.548 -5.703 1.00 0.00 H new ATOM 1091 N SER A 71 7.271 16.380 -5.908 1.00 0.00 N ATOM 1092 CA SER A 71 6.100 15.948 -6.662 1.00 0.00 C ATOM 1093 C SER A 71 4.854 16.706 -6.212 1.00 0.00 C ATOM 1094 O SER A 71 4.574 16.808 -5.017 1.00 0.00 O ATOM 1095 CB SER A 71 5.884 14.443 -6.493 1.00 0.00 C ATOM 1096 OG SER A 71 7.068 13.722 -6.783 1.00 0.00 O ATOM 0 H SER A 71 7.363 15.949 -4.988 1.00 0.00 H new ATOM 0 HA SER A 71 6.276 16.166 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.566 14.231 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.082 14.111 -7.152 1.00 0.00 H new ATOM 0 HG SER A 71 6.864 12.997 -7.410 1.00 0.00 H new ATOM 1102 N SER A 72 4.111 17.237 -7.177 1.00 0.00 N ATOM 1103 CA SER A 72 2.898 17.990 -6.881 1.00 0.00 C ATOM 1104 C SER A 72 1.823 17.079 -6.294 1.00 0.00 C ATOM 1105 O SER A 72 1.837 15.862 -6.477 1.00 0.00 O ATOM 1106 CB SER A 72 2.371 18.668 -8.148 1.00 0.00 C ATOM 1107 OG SER A 72 2.948 19.951 -8.317 1.00 0.00 O ATOM 0 H SER A 72 4.328 17.160 -8.171 1.00 0.00 H new ATOM 0 HA SER A 72 3.145 18.754 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.595 18.048 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.286 18.758 -8.092 1.00 0.00 H new ATOM 0 HG SER A 72 2.597 20.363 -9.134 1.00 0.00 H new ATOM 1113 N PRO A 73 0.868 17.682 -5.571 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.232 16.946 -4.942 1.00 0.00 C ATOM 1115 C PRO A 73 -1.219 16.393 -5.964 1.00 0.00 C ATOM 1116 O PRO A 73 -1.554 15.209 -5.940 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.908 18.001 -4.062 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.578 19.301 -4.710 1.00 0.00 C ATOM 1119 CD PRO A 73 0.789 19.130 -5.311 1.00 0.00 C ATOM 0 HA PRO A 73 0.123 16.075 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.986 17.845 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.534 17.962 -3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.312 19.553 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.585 20.113 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.901 19.710 -6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.572 19.459 -4.628 1.00 0.00 H new ATOM 1127 N SER A 74 -1.680 17.258 -6.862 1.00 0.00 N ATOM 1128 CA SER A 74 -2.632 16.856 -7.892 1.00 0.00 C ATOM 1129 C SER A 74 -2.066 15.722 -8.741 1.00 0.00 C ATOM 1130 O SER A 74 -2.730 14.711 -8.965 1.00 0.00 O ATOM 1131 CB SER A 74 -2.985 18.049 -8.782 1.00 0.00 C ATOM 1132 OG SER A 74 -4.211 17.834 -9.459 1.00 0.00 O ATOM 0 H SER A 74 -1.410 18.241 -6.897 1.00 0.00 H new ATOM 0 HA SER A 74 -3.536 16.500 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.054 18.952 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.189 18.213 -9.508 1.00 0.00 H new ATOM 0 HG SER A 74 -4.416 18.611 -10.020 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.836 15.900 -9.211 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.181 14.893 -10.037 1.00 0.00 C ATOM 1140 C GLN A 75 -0.152 13.543 -9.328 1.00 0.00 C ATOM 1141 O GLN A 75 -0.070 12.496 -9.969 1.00 0.00 O ATOM 1142 CB GLN A 75 1.243 15.332 -10.381 1.00 0.00 C ATOM 1143 CG GLN A 75 1.302 16.530 -11.316 1.00 0.00 C ATOM 1144 CD GLN A 75 2.650 16.677 -11.993 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.692 16.660 -11.337 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.637 16.822 -13.313 1.00 0.00 N ATOM 0 H GLN A 75 -0.273 16.732 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.753 14.787 -10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.772 15.575 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.771 14.496 -10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.527 16.431 -12.076 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.082 17.437 -10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.750 16.830 -13.816 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.514 16.925 -13.823 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.219 13.575 -8.001 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.202 12.354 -7.205 1.00 0.00 C ATOM 1157 C ALA A 76 -1.596 11.743 -7.108 1.00 0.00 C ATOM 1158 O ALA A 76 -1.745 10.526 -7.009 1.00 0.00 O ATOM 1159 CB ALA A 76 0.350 12.637 -5.816 1.00 0.00 C ATOM 0 H ALA A 76 -0.286 14.434 -7.454 1.00 0.00 H new ATOM 0 HA ALA A 76 0.448 11.634 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.357 11.716 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.367 13.021 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.277 13.377 -5.319 1.00 0.00 H new ATOM 1165 N MET A 77 -2.615 12.597 -7.135 1.00 0.00 N ATOM 1166 CA MET A 77 -3.997 12.140 -7.050 1.00 0.00 C ATOM 1167 C MET A 77 -4.447 11.522 -8.370 1.00 0.00 C ATOM 1168 O MET A 77 -5.303 10.638 -8.392 1.00 0.00 O ATOM 1169 CB MET A 77 -4.919 13.302 -6.676 1.00 0.00 C ATOM 1170 CG MET A 77 -4.529 13.994 -5.380 1.00 0.00 C ATOM 1171 SD MET A 77 -5.797 15.133 -4.793 1.00 0.00 S ATOM 1172 CE MET A 77 -4.789 16.515 -4.259 1.00 0.00 C ATOM 0 H MET A 77 -2.509 13.608 -7.215 1.00 0.00 H new ATOM 0 HA MET A 77 -4.054 11.377 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.915 14.033 -7.484 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.940 12.931 -6.587 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.339 13.242 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.597 14.539 -5.530 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.431 17.304 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.104 16.185 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.218 16.897 -5.105 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.866 11.994 -9.468 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.209 11.489 -10.792 1.00 0.00 C ATOM 1184 C GLN A 78 -3.919 9.995 -10.896 1.00 0.00 C ATOM 1185 O GLN A 78 -4.767 9.218 -11.333 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.432 12.248 -11.869 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.877 13.692 -12.036 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.644 14.216 -13.439 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.624 13.921 -14.063 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.591 14.998 -13.944 1.00 0.00 N ATOM 0 H GLN A 78 -3.155 12.726 -9.467 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.276 11.645 -10.947 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.371 12.230 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.545 11.729 -12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.937 13.772 -11.794 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.339 14.318 -11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.420 15.217 -13.392 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.489 15.380 -14.884 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.715 9.602 -10.493 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.313 8.201 -10.542 1.00 0.00 C ATOM 1201 C GLU A 79 -2.985 7.402 -9.429 1.00 0.00 C ATOM 1202 O GLU A 79 -3.308 6.227 -9.602 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.792 8.079 -10.426 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.038 8.784 -11.541 1.00 0.00 C ATOM 1205 CD GLU A 79 1.371 8.253 -11.719 1.00 0.00 C ATOM 1206 OE1 GLU A 79 1.528 7.193 -12.360 1.00 0.00 O ATOM 1207 OE2 GLU A 79 2.316 8.897 -11.217 1.00 0.00 O ATOM 0 H GLU A 79 -2.001 10.233 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.631 7.792 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.475 8.491 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.520 7.024 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.587 8.668 -12.476 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.005 9.852 -11.327 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.192 8.049 -8.288 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.822 7.399 -7.144 1.00 0.00 C ATOM 1216 C TYR A 80 -5.251 6.981 -7.476 1.00 0.00 C ATOM 1217 O TYR A 80 -5.764 6.002 -6.934 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.820 8.335 -5.934 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.557 7.778 -4.737 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.945 7.711 -4.721 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.866 7.320 -3.622 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.623 7.204 -3.629 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.535 6.810 -2.527 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.914 6.754 -2.535 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.584 6.248 -1.445 1.00 0.00 O ATOM 0 H TYR A 80 -2.933 9.023 -8.130 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.247 6.505 -6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.789 8.546 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.272 9.285 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.503 8.061 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.787 7.364 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.702 7.160 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.982 6.457 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.252 6.677 -0.629 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.888 7.730 -8.369 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.257 7.437 -8.775 1.00 0.00 C ATOM 1237 C ILE A 81 -7.287 6.447 -9.934 1.00 0.00 C ATOM 1238 O ILE A 81 -7.753 5.318 -9.788 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.008 8.717 -9.187 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.583 9.417 -7.954 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.114 8.386 -10.178 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.734 10.912 -8.123 1.00 0.00 C ATOM 0 H ILE A 81 -5.478 8.545 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.755 6.996 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.304 9.394 -9.670 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.557 8.986 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.936 9.220 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.636 9.301 -10.460 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.681 7.927 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.819 7.693 -9.719 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.147 11.341 -7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.759 11.356 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.405 11.118 -8.957 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.785 6.879 -11.087 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.751 6.030 -12.271 1.00 0.00 C ATOM 1256 C ALA A 82 -6.555 4.566 -11.891 1.00 0.00 C ATOM 1257 O ALA A 82 -7.366 3.709 -12.244 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.647 6.484 -13.214 1.00 0.00 C ATOM 0 H ALA A 82 -6.397 7.812 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.710 6.121 -12.781 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.633 5.841 -14.094 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.831 7.514 -13.520 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.685 6.423 -12.705 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.474 4.286 -11.170 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.173 2.925 -10.742 1.00 0.00 C ATOM 1266 C VAL A 83 -6.423 2.220 -10.228 1.00 0.00 C ATOM 1267 O VAL A 83 -6.830 1.187 -10.759 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.098 2.909 -9.639 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.400 3.961 -8.583 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.999 1.526 -9.012 1.00 0.00 C ATOM 0 H VAL A 83 -4.792 4.983 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.795 2.395 -11.616 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.135 3.148 -10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.630 3.934 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.416 4.948 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.371 3.756 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.235 1.533 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.960 1.256 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.731 0.798 -9.778 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.031 2.787 -9.190 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.237 2.215 -8.604 1.00 0.00 C ATOM 1282 C VAL A 84 -9.273 1.900 -9.677 1.00 0.00 C ATOM 1283 O VAL A 84 -10.144 1.051 -9.486 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.862 3.165 -7.565 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.777 3.892 -6.785 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.796 4.156 -8.244 1.00 0.00 C ATOM 0 H VAL A 84 -6.708 3.642 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.940 1.291 -8.107 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.447 2.572 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.238 4.559 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.152 3.165 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.163 4.475 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.229 4.820 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.236 4.745 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.593 3.614 -8.753 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.174 2.591 -10.808 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.101 2.386 -11.914 1.00 0.00 C ATOM 1298 C LYS A 85 -9.764 1.108 -12.677 1.00 0.00 C ATOM 1299 O LYS A 85 -10.655 0.363 -13.084 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.066 3.584 -12.865 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.102 4.926 -12.155 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.245 6.075 -13.139 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.701 6.323 -13.500 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.160 5.431 -14.601 1.00 0.00 N ATOM 0 H LYS A 85 -8.460 3.298 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.105 2.288 -11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.163 3.528 -13.473 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.914 3.521 -13.547 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.934 4.944 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.189 5.055 -11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.817 6.980 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.678 5.854 -14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.325 6.165 -12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.829 7.363 -13.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.811 5.953 -15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.339 5.109 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.651 4.607 -14.199 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.472 0.861 -12.865 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.016 -0.328 -13.575 1.00 0.00 C ATOM 1320 C LYS A 86 -8.410 -1.596 -12.824 1.00 0.00 C ATOM 1321 O LYS A 86 -8.649 -2.641 -13.431 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.498 -0.284 -13.763 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.041 0.737 -14.790 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.638 2.046 -14.133 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.946 3.237 -15.027 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.977 3.352 -16.152 1.00 0.00 N ATOM 0 H LYS A 86 -7.722 1.469 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.497 -0.343 -14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.028 -0.059 -12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.149 -1.272 -14.065 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.198 0.336 -15.352 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.843 0.919 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.165 2.156 -13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.572 2.027 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.956 3.140 -15.426 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.924 4.151 -14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.221 4.176 -16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.016 3.470 -15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.016 2.490 -16.733 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.478 -1.497 -11.501 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.844 -2.636 -10.666 1.00 0.00 C ATOM 1342 C LEU A 87 -10.352 -2.865 -10.690 1.00 0.00 C ATOM 1343 O LEU A 87 -10.816 -4.004 -10.739 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.373 -2.412 -9.228 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.015 -1.728 -9.066 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.846 -1.209 -7.646 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.889 -2.687 -9.423 1.00 0.00 C ATOM 0 H LEU A 87 -8.285 -0.640 -10.983 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.354 -3.523 -11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.123 -1.814 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.333 -3.378 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.972 -0.880 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.874 -0.725 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.634 -0.488 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.909 -2.041 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.930 -2.183 -9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.928 -3.555 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.001 -3.010 -10.458 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.111 -1.775 -10.656 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.567 -1.857 -10.677 1.00 0.00 C ATOM 1361 C ASP A 88 -13.154 -0.850 -11.661 1.00 0.00 C ATOM 1362 O ASP A 88 -13.376 0.317 -11.336 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.133 -1.610 -9.277 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.610 -1.940 -9.183 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.367 -1.536 -10.091 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.009 -2.602 -8.202 1.00 0.00 O ATOM 0 H ASP A 88 -10.742 -0.825 -10.614 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.845 -2.860 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.582 -2.212 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.979 -0.566 -9.005 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.411 -1.309 -12.895 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.975 -0.465 -13.952 1.00 0.00 C ATOM 1373 C PRO A 89 -15.428 -0.091 -13.683 1.00 0.00 C ATOM 1374 O PRO A 89 -15.979 0.802 -14.325 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.871 -1.344 -15.201 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.871 -2.740 -14.682 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.171 -2.688 -13.353 1.00 0.00 C ATOM 0 HA PRO A 89 -13.449 0.486 -14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.709 -1.173 -15.877 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.961 -1.130 -15.761 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.888 -3.116 -14.573 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.355 -3.411 -15.369 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.578 -3.420 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.106 -2.899 -13.451 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.044 -0.780 -12.727 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.429 -0.506 -12.389 1.00 0.00 C ATOM 1387 C GLY A 90 -17.566 0.590 -11.350 1.00 0.00 C ATOM 1388 O GLY A 90 -18.383 0.488 -10.436 1.00 0.00 O ATOM 0 H GLY A 90 -15.609 -1.523 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.970 -0.218 -13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.896 -1.417 -12.015 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.763 1.638 -11.490 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.797 2.756 -10.553 1.00 0.00 C ATOM 1394 C TRP A 91 -17.116 4.061 -11.275 1.00 0.00 C ATOM 1395 O TRP A 91 -16.452 4.422 -12.245 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.459 2.878 -9.823 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.351 4.114 -8.982 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.289 4.601 -8.117 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.244 5.020 -8.928 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.831 5.755 -7.529 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.579 6.033 -8.009 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.002 5.073 -9.566 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.716 7.085 -7.714 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.147 6.118 -9.272 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.506 7.112 -8.353 1.00 0.00 C ATOM 0 H TRP A 91 -16.081 1.738 -12.242 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.584 2.563 -9.824 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.318 2.003 -9.189 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.652 2.874 -10.556 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.249 4.146 -7.924 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.341 6.314 -6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.716 4.311 -10.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.992 7.853 -7.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.185 6.169 -9.760 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.815 7.915 -8.145 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.137 4.763 -10.795 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.544 6.029 -11.396 1.00 0.00 C ATOM 1418 C ASN A 92 -18.775 7.090 -10.324 1.00 0.00 C ATOM 1419 O ASN A 92 -19.891 7.295 -9.848 1.00 0.00 O ATOM 1420 CB ASN A 92 -19.817 5.838 -12.223 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.838 4.965 -11.520 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -21.007 5.044 -10.303 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.526 4.125 -12.286 1.00 0.00 N ATOM 0 H ASN A 92 -18.698 4.477 -9.992 1.00 0.00 H new ATOM 0 HA ASN A 92 -17.741 6.368 -12.050 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.259 6.812 -12.434 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -19.560 5.390 -13.183 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.227 3.512 -11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -21.353 4.093 -13.291 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.694 7.783 -9.936 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.752 8.836 -8.918 1.00 0.00 C ATOM 1432 C PRO A 93 -18.492 10.076 -9.408 1.00 0.00 C ATOM 1433 O PRO A 93 -19.278 10.672 -8.673 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.279 9.160 -8.658 1.00 0.00 C ATOM 1435 CG PRO A 93 -15.578 8.773 -9.914 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.331 7.592 -10.461 1.00 0.00 C ATOM 0 HA PRO A 93 -18.295 8.514 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.140 10.218 -8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.896 8.603 -7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.572 9.597 -10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.537 8.515 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.319 7.577 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.899 6.649 -10.125 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.235 10.459 -10.655 1.00 0.00 N ATOM 1445 CA GLN A 94 -18.877 11.628 -11.243 1.00 0.00 C ATOM 1446 C GLN A 94 -19.755 11.231 -12.424 1.00 0.00 C ATOM 1447 O GLN A 94 -19.253 10.882 -13.493 1.00 0.00 O ATOM 1448 CB GLN A 94 -17.823 12.642 -11.693 1.00 0.00 C ATOM 1449 CG GLN A 94 -17.416 13.621 -10.603 1.00 0.00 C ATOM 1450 CD GLN A 94 -18.438 14.720 -10.393 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -19.627 14.536 -10.657 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -17.981 15.871 -9.916 1.00 0.00 N ATOM 0 H GLN A 94 -17.587 9.976 -11.277 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.510 12.085 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -16.939 12.106 -12.037 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.209 13.200 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.274 13.079 -9.668 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -16.456 14.068 -10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -16.988 15.980 -9.711 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -18.623 16.647 -9.754 1.00 0.00 H new ATOM 1461 N ILE A 95 -21.067 11.287 -12.225 1.00 0.00 N ATOM 1462 CA ILE A 95 -22.015 10.933 -13.275 1.00 0.00 C ATOM 1463 C ILE A 95 -22.512 12.175 -14.007 1.00 0.00 C ATOM 1464 O ILE A 95 -23.005 13.127 -13.403 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.225 10.168 -12.707 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -22.845 8.715 -12.415 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -24.395 10.231 -13.677 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -22.223 8.515 -11.051 1.00 0.00 C ATOM 0 H ILE A 95 -21.498 11.574 -11.346 1.00 0.00 H new ATOM 0 HA ILE A 95 -21.484 10.288 -13.975 1.00 0.00 H new ATOM 0 HB ILE A 95 -23.528 10.640 -11.772 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -23.736 8.092 -12.494 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -22.147 8.370 -13.178 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.242 9.686 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -24.677 11.271 -13.839 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -24.105 9.781 -14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -21.979 7.462 -10.913 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -21.313 9.111 -10.975 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -22.927 8.828 -10.280 1.00 0.00 H new ATOM 1480 N PRO A 96 -22.381 12.166 -15.342 1.00 0.00 N ATOM 1481 CA PRO A 96 -22.813 13.283 -16.188 1.00 0.00 C ATOM 1482 C PRO A 96 -24.331 13.418 -16.239 1.00 0.00 C ATOM 1483 O PRO A 96 -24.873 14.505 -16.044 1.00 0.00 O ATOM 1484 CB PRO A 96 -22.262 12.917 -17.568 1.00 0.00 C ATOM 1485 CG PRO A 96 -22.143 11.432 -17.547 1.00 0.00 C ATOM 1486 CD PRO A 96 -21.802 11.064 -16.129 1.00 0.00 C ATOM 0 HA PRO A 96 -22.455 14.241 -15.812 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -22.931 13.249 -18.362 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -21.296 13.389 -17.746 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -23.075 10.961 -17.859 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -21.369 11.093 -18.235 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -22.231 10.102 -15.849 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -20.725 10.988 -15.982 1.00 0.00 H new ATOM 1494 N GLU A 97 -25.011 12.306 -16.502 1.00 0.00 N ATOM 1495 CA GLU A 97 -26.467 12.302 -16.579 1.00 0.00 C ATOM 1496 C GLU A 97 -27.077 13.024 -15.381 1.00 0.00 C ATOM 1497 O GLU A 97 -26.377 13.377 -14.432 1.00 0.00 O ATOM 1498 CB GLU A 97 -26.993 10.867 -16.645 1.00 0.00 C ATOM 1499 CG GLU A 97 -27.327 10.278 -15.285 1.00 0.00 C ATOM 1500 CD GLU A 97 -27.353 8.762 -15.295 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -27.941 8.185 -16.234 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -26.784 8.153 -14.365 1.00 0.00 O ATOM 0 H GLU A 97 -24.577 11.397 -16.665 1.00 0.00 H new ATOM 0 HA GLU A 97 -26.758 12.830 -17.487 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -27.885 10.845 -17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -26.247 10.238 -17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -26.593 10.620 -14.555 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -28.298 10.652 -14.960 1.00 0.00 H new ATOM 1509 N LYS A 98 -28.387 13.242 -15.433 1.00 0.00 N ATOM 1510 CA LYS A 98 -29.094 13.921 -14.354 1.00 0.00 C ATOM 1511 C LYS A 98 -29.635 12.917 -13.341 1.00 0.00 C ATOM 1512 O LYS A 98 -30.772 13.032 -12.883 1.00 0.00 O ATOM 1513 CB LYS A 98 -30.242 14.761 -14.918 1.00 0.00 C ATOM 1514 CG LYS A 98 -30.804 15.766 -13.927 1.00 0.00 C ATOM 1515 CD LYS A 98 -32.032 16.469 -14.482 1.00 0.00 C ATOM 1516 CE LYS A 98 -31.652 17.707 -15.279 1.00 0.00 C ATOM 1517 NZ LYS A 98 -31.114 18.786 -14.405 1.00 0.00 N ATOM 0 H LYS A 98 -28.981 12.958 -16.212 1.00 0.00 H new ATOM 0 HA LYS A 98 -28.387 14.577 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -29.892 15.293 -15.803 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -31.043 14.096 -15.242 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -31.063 15.257 -12.999 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -30.040 16.504 -13.683 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -32.589 15.782 -15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -32.693 16.751 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -30.907 17.442 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -32.526 18.076 -15.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -31.231 19.705 -14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -31.631 18.792 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -30.104 18.615 -14.224 1.00 0.00 H new ATOM 1531 N LYS A 99 -28.812 11.932 -12.994 1.00 0.00 N ATOM 1532 CA LYS A 99 -29.206 10.909 -12.033 1.00 0.00 C ATOM 1533 C LYS A 99 -28.026 10.009 -11.682 1.00 0.00 C ATOM 1534 O LYS A 99 -27.021 9.981 -12.392 1.00 0.00 O ATOM 1535 CB LYS A 99 -30.354 10.067 -12.596 1.00 0.00 C ATOM 1536 CG LYS A 99 -29.920 9.094 -13.679 1.00 0.00 C ATOM 1537 CD LYS A 99 -30.804 7.858 -13.705 1.00 0.00 C ATOM 1538 CE LYS A 99 -30.708 7.133 -15.039 1.00 0.00 C ATOM 1539 NZ LYS A 99 -31.694 6.021 -15.137 1.00 0.00 N ATOM 0 H LYS A 99 -27.868 11.821 -13.364 1.00 0.00 H new ATOM 0 HA LYS A 99 -29.541 11.409 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -30.817 9.509 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -31.117 10.732 -13.001 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -29.956 9.589 -14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -28.885 8.798 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -30.511 7.183 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -31.839 8.145 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -30.877 7.841 -15.850 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -29.700 6.737 -15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -31.597 5.552 -16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -31.517 5.332 -14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -32.657 6.402 -15.041 1.00 0.00 H new ATOM 1553 N GLY A 100 -28.155 9.273 -10.582 1.00 0.00 N ATOM 1554 CA GLY A 100 -27.092 8.381 -10.158 1.00 0.00 C ATOM 1555 C GLY A 100 -26.140 9.039 -9.178 1.00 0.00 C ATOM 1556 O GLY A 100 -24.922 8.903 -9.297 1.00 0.00 O ATOM 0 H GLY A 100 -28.976 9.279 -9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -27.528 7.495 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -26.534 8.044 -11.032 1.00 0.00 H new ATOM 1560 N LYS A 101 -26.695 9.756 -8.207 1.00 0.00 N ATOM 1561 CA LYS A 101 -25.889 10.438 -7.202 1.00 0.00 C ATOM 1562 C LYS A 101 -26.523 10.315 -5.820 1.00 0.00 C ATOM 1563 O LYS A 101 -27.546 9.653 -5.654 1.00 0.00 O ATOM 1564 CB LYS A 101 -25.722 11.915 -7.569 1.00 0.00 C ATOM 1565 CG LYS A 101 -24.764 12.150 -8.723 1.00 0.00 C ATOM 1566 CD LYS A 101 -24.597 13.632 -9.015 1.00 0.00 C ATOM 1567 CE LYS A 101 -23.505 14.250 -8.155 1.00 0.00 C ATOM 1568 NZ LYS A 101 -23.639 15.731 -8.068 1.00 0.00 N ATOM 0 H LYS A 101 -27.701 9.880 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 101 -24.908 9.963 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -26.697 12.329 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -25.365 12.460 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -23.794 11.713 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -25.134 11.642 -9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -24.354 13.771 -10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -25.540 14.148 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.546 13.822 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -22.529 13.997 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -22.877 16.114 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -23.575 16.142 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.560 15.972 -7.648 1.00 0.00 H new ATOM 1582 N GLU A 102 -25.908 10.958 -4.832 1.00 0.00 N ATOM 1583 CA GLU A 102 -26.414 10.920 -3.465 1.00 0.00 C ATOM 1584 C GLU A 102 -27.610 11.854 -3.302 1.00 0.00 C ATOM 1585 O GLU A 102 -27.570 13.010 -3.722 1.00 0.00 O ATOM 1586 CB GLU A 102 -25.311 11.308 -2.479 1.00 0.00 C ATOM 1587 CG GLU A 102 -25.469 10.672 -1.108 1.00 0.00 C ATOM 1588 CD GLU A 102 -24.878 11.522 0.001 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -25.563 12.461 0.457 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -23.731 11.247 0.412 1.00 0.00 O ATOM 0 H GLU A 102 -25.059 11.511 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 102 -26.739 9.902 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.346 11.020 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -25.299 12.392 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -26.528 10.506 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -24.987 9.694 -1.107 1.00 0.00 H new ATOM 1597 N ALA A 103 -28.672 11.343 -2.688 1.00 0.00 N ATOM 1598 CA ALA A 103 -29.879 12.130 -2.467 1.00 0.00 C ATOM 1599 C ALA A 103 -29.536 13.576 -2.126 1.00 0.00 C ATOM 1600 O ALA A 103 -28.946 13.855 -1.083 1.00 0.00 O ATOM 1601 CB ALA A 103 -30.718 11.510 -1.360 1.00 0.00 C ATOM 0 H ALA A 103 -28.721 10.387 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 103 -30.458 12.129 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -31.616 12.108 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -31.001 10.496 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -30.139 11.481 -0.437 1.00 0.00 H new ATOM 1607 N SER A 104 -29.909 14.493 -3.014 1.00 0.00 N ATOM 1608 CA SER A 104 -29.636 15.911 -2.809 1.00 0.00 C ATOM 1609 C SER A 104 -30.502 16.769 -3.726 1.00 0.00 C ATOM 1610 O SER A 104 -31.063 16.279 -4.705 1.00 0.00 O ATOM 1611 CB SER A 104 -28.157 16.209 -3.060 1.00 0.00 C ATOM 1612 OG SER A 104 -27.367 15.853 -1.938 1.00 0.00 O ATOM 0 H SER A 104 -30.401 14.279 -3.882 1.00 0.00 H new ATOM 0 HA SER A 104 -29.878 16.156 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 104 -27.816 15.660 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 104 -28.028 17.269 -3.278 1.00 0.00 H new ATOM 0 HG SER A 104 -27.880 15.258 -1.352 1.00 0.00 H new ATOM 1618 N GLY A 105 -30.606 18.054 -3.400 1.00 0.00 N ATOM 1619 CA GLY A 105 -31.405 18.960 -4.204 1.00 0.00 C ATOM 1620 C GLY A 105 -31.507 20.342 -3.589 1.00 0.00 C ATOM 1621 O GLY A 105 -32.472 20.668 -2.897 1.00 0.00 O ATOM 0 H GLY A 105 -30.151 18.483 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -30.968 19.040 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -32.406 18.546 -4.327 1.00 0.00 H new ATOM 1625 N PRO A 106 -30.493 21.183 -3.842 1.00 0.00 N ATOM 1626 CA PRO A 106 -30.449 22.551 -3.317 1.00 0.00 C ATOM 1627 C PRO A 106 -31.489 23.455 -3.968 1.00 0.00 C ATOM 1628 O PRO A 106 -32.130 23.075 -4.948 1.00 0.00 O ATOM 1629 CB PRO A 106 -29.035 23.020 -3.670 1.00 0.00 C ATOM 1630 CG PRO A 106 -28.646 22.197 -4.849 1.00 0.00 C ATOM 1631 CD PRO A 106 -29.311 20.862 -4.659 1.00 0.00 C ATOM 0 HA PRO A 106 -30.671 22.586 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -29.018 24.084 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -28.348 22.868 -2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -28.971 22.667 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -27.563 22.089 -4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -29.591 20.413 -5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -28.654 20.154 -4.154 1.00 0.00 H new ATOM 1639 N SER A 107 -31.651 24.654 -3.418 1.00 0.00 N ATOM 1640 CA SER A 107 -32.617 25.612 -3.945 1.00 0.00 C ATOM 1641 C SER A 107 -31.926 26.654 -4.820 1.00 0.00 C ATOM 1642 O SER A 107 -31.106 27.437 -4.342 1.00 0.00 O ATOM 1643 CB SER A 107 -33.358 26.303 -2.798 1.00 0.00 C ATOM 1644 OG SER A 107 -32.457 26.999 -1.954 1.00 0.00 O ATOM 0 H SER A 107 -31.127 24.985 -2.608 1.00 0.00 H new ATOM 0 HA SER A 107 -33.336 25.068 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 107 -34.093 26.999 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 107 -33.907 25.562 -2.217 1.00 0.00 H new ATOM 0 HG SER A 107 -31.730 27.376 -2.492 1.00 0.00 H new ATOM 1650 N SER A 108 -32.265 26.656 -6.105 1.00 0.00 N ATOM 1651 CA SER A 108 -31.676 27.598 -7.050 1.00 0.00 C ATOM 1652 C SER A 108 -32.477 27.639 -8.348 1.00 0.00 C ATOM 1653 O SER A 108 -32.431 26.706 -9.148 1.00 0.00 O ATOM 1654 CB SER A 108 -30.224 27.217 -7.345 1.00 0.00 C ATOM 1655 OG SER A 108 -29.651 28.093 -8.299 1.00 0.00 O ATOM 0 H SER A 108 -32.945 26.016 -6.516 1.00 0.00 H new ATOM 0 HA SER A 108 -31.699 28.590 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 108 -29.642 27.247 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 108 -30.182 26.193 -7.715 1.00 0.00 H new ATOM 0 HG SER A 108 -28.723 27.829 -8.469 1.00 0.00 H new ATOM 1661 N GLY A 109 -33.213 28.728 -8.548 1.00 0.00 N ATOM 1662 CA GLY A 109 -34.014 28.872 -9.749 1.00 0.00 C ATOM 1663 C GLY A 109 -35.446 28.415 -9.549 1.00 0.00 C ATOM 1664 O GLY A 109 -36.095 28.796 -8.576 1.00 0.00 O ATOM 0 H GLY A 109 -33.269 29.513 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -34.009 29.916 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -33.561 28.295 -10.555 1.00 0.00 H new TER 1668 GLY A 109