USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 28 SER OG : rot -26:sc= -0.137 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.000256 K(o=-0.00026,f=-4.1!) USER MOD Single : A 45 GLN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -38:sc= 0.486 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -59:sc= 0.409 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.203 -13.448 24.657 1.00 0.00 N ATOM 2 CA MET A 1 -2.352 -13.657 23.227 1.00 0.00 C ATOM 3 C MET A 1 -3.396 -14.738 22.936 1.00 0.00 C ATOM 4 O MET A 1 -3.047 -15.867 22.596 1.00 0.00 O ATOM 5 CB MET A 1 -1.007 -14.073 22.628 1.00 0.00 C ATOM 6 CG MET A 1 -0.357 -12.908 21.879 1.00 0.00 C ATOM 7 SD MET A 1 0.249 -13.464 20.294 1.00 0.00 S ATOM 8 CE MET A 1 0.450 -11.893 19.471 1.00 0.00 C ATOM 0 H1 MET A 1 -1.490 -12.711 24.828 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.114 -13.149 25.061 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.899 -14.335 25.108 1.00 0.00 H new ATOM 0 HA MET A 1 -2.687 -12.723 22.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.342 -14.416 23.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.152 -14.912 21.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.081 -12.105 21.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.464 -12.499 22.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.825 -12.057 18.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.511 -11.382 19.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.160 -11.280 20.026 1.00 0.00 H new ATOM 18 N SER A 2 -4.655 -14.353 23.081 1.00 0.00 N ATOM 19 CA SER A 2 -5.752 -15.275 22.839 1.00 0.00 C ATOM 20 C SER A 2 -5.648 -15.852 21.425 1.00 0.00 C ATOM 21 O SER A 2 -4.608 -15.735 20.778 1.00 0.00 O ATOM 22 CB SER A 2 -7.104 -14.585 23.032 1.00 0.00 C ATOM 23 OG SER A 2 -7.963 -15.326 23.895 1.00 0.00 O ATOM 0 H SER A 2 -4.940 -13.415 23.363 1.00 0.00 H new ATOM 0 HA SER A 2 -5.682 -16.087 23.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.947 -13.589 23.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.587 -14.456 22.063 1.00 0.00 H new ATOM 0 HG SER A 2 -8.815 -14.852 23.994 1.00 0.00 H new ATOM 29 N LEU A 3 -6.739 -16.463 20.988 1.00 0.00 N ATOM 30 CA LEU A 3 -6.784 -17.058 19.664 1.00 0.00 C ATOM 31 C LEU A 3 -7.697 -16.223 18.764 1.00 0.00 C ATOM 32 O LEU A 3 -7.391 -16.008 17.592 1.00 0.00 O ATOM 33 CB LEU A 3 -7.188 -18.531 19.752 1.00 0.00 C ATOM 34 CG LEU A 3 -6.277 -19.427 20.593 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.961 -20.757 20.916 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.924 -19.631 19.908 1.00 0.00 C ATOM 0 H LEU A 3 -7.599 -16.559 21.528 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.793 -17.049 19.209 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.197 -18.587 20.161 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.231 -18.937 18.741 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.086 -18.924 21.541 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.291 -21.375 21.515 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.878 -20.568 21.475 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.202 -21.277 19.989 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.296 -20.272 20.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.075 -20.101 18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.436 -18.666 19.772 1.00 0.00 H new ATOM 48 N GLY A 4 -8.800 -15.776 19.346 1.00 0.00 N ATOM 49 CA GLY A 4 -9.759 -14.969 18.612 1.00 0.00 C ATOM 50 C GLY A 4 -9.128 -13.656 18.145 1.00 0.00 C ATOM 51 O GLY A 4 -9.249 -13.285 16.978 1.00 0.00 O ATOM 0 H GLY A 4 -9.051 -15.958 20.318 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.125 -15.527 17.750 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.621 -14.757 19.245 1.00 0.00 H new ATOM 55 N VAL A 5 -8.469 -12.988 19.080 1.00 0.00 N ATOM 56 CA VAL A 5 -7.818 -11.724 18.779 1.00 0.00 C ATOM 57 C VAL A 5 -6.758 -11.946 17.699 1.00 0.00 C ATOM 58 O VAL A 5 -6.515 -11.068 16.873 1.00 0.00 O ATOM 59 CB VAL A 5 -7.248 -11.111 20.060 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.904 -11.746 20.420 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.120 -9.592 19.930 1.00 0.00 C ATOM 0 H VAL A 5 -8.372 -13.298 20.047 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.538 -11.007 18.385 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.945 -11.320 20.871 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.521 -11.293 21.334 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.037 -12.817 20.574 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.195 -11.582 19.609 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.713 -9.181 20.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.454 -9.353 19.101 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.102 -9.159 19.742 1.00 0.00 H new ATOM 71 N LEU A 6 -6.154 -13.125 17.740 1.00 0.00 N ATOM 72 CA LEU A 6 -5.125 -13.473 16.775 1.00 0.00 C ATOM 73 C LEU A 6 -5.716 -13.421 15.365 1.00 0.00 C ATOM 74 O LEU A 6 -5.165 -12.767 14.481 1.00 0.00 O ATOM 75 CB LEU A 6 -4.494 -14.821 17.128 1.00 0.00 C ATOM 76 CG LEU A 6 -3.307 -15.253 16.265 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.772 -16.615 16.710 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.675 -15.238 14.780 1.00 0.00 C ATOM 0 H LEU A 6 -6.358 -13.851 18.427 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.312 -12.748 16.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.168 -14.786 18.168 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.265 -15.589 17.061 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.502 -14.531 16.404 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.929 -16.898 16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.446 -16.556 17.748 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.560 -17.363 16.619 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.814 -15.549 14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.503 -15.924 14.603 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.970 -14.230 14.489 1.00 0.00 H new ATOM 90 N ALA A 7 -6.830 -14.118 15.198 1.00 0.00 N ATOM 91 CA ALA A 7 -7.502 -14.160 13.911 1.00 0.00 C ATOM 92 C ALA A 7 -7.811 -12.732 13.455 1.00 0.00 C ATOM 93 O ALA A 7 -7.823 -12.447 12.259 1.00 0.00 O ATOM 94 CB ALA A 7 -8.760 -15.022 14.018 1.00 0.00 C ATOM 0 H ALA A 7 -7.284 -14.659 15.934 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.859 -14.615 13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.263 -15.053 13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.484 -16.034 14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.431 -14.595 14.763 1.00 0.00 H new ATOM 100 N ALA A 8 -8.053 -11.872 14.434 1.00 0.00 N ATOM 101 CA ALA A 8 -8.361 -10.481 14.149 1.00 0.00 C ATOM 102 C ALA A 8 -7.119 -9.795 13.576 1.00 0.00 C ATOM 103 O ALA A 8 -7.231 -8.876 12.766 1.00 0.00 O ATOM 104 CB ALA A 8 -8.869 -9.800 15.421 1.00 0.00 C ATOM 0 H ALA A 8 -8.042 -12.112 15.425 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.152 -10.408 13.402 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.100 -8.756 15.208 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.769 -10.307 15.771 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.101 -9.851 16.193 1.00 0.00 H new ATOM 110 N ALA A 9 -5.964 -10.268 14.019 1.00 0.00 N ATOM 111 CA ALA A 9 -4.702 -9.712 13.561 1.00 0.00 C ATOM 112 C ALA A 9 -4.454 -10.145 12.115 1.00 0.00 C ATOM 113 O ALA A 9 -3.800 -9.433 11.353 1.00 0.00 O ATOM 114 CB ALA A 9 -3.578 -10.151 14.502 1.00 0.00 C ATOM 0 H ALA A 9 -5.875 -11.030 14.691 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.734 -8.623 13.578 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.632 -9.734 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.787 -9.793 15.510 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.514 -11.239 14.509 1.00 0.00 H new ATOM 120 N ILE A 10 -4.990 -11.309 11.779 1.00 0.00 N ATOM 121 CA ILE A 10 -4.835 -11.845 10.437 1.00 0.00 C ATOM 122 C ILE A 10 -5.820 -11.146 9.497 1.00 0.00 C ATOM 123 O ILE A 10 -5.432 -10.664 8.433 1.00 0.00 O ATOM 124 CB ILE A 10 -4.973 -13.368 10.450 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.611 -14.041 10.629 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.696 -13.864 9.195 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.605 -14.947 11.862 1.00 0.00 C ATOM 0 H ILE A 10 -5.532 -11.896 12.413 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.833 -11.642 10.058 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.586 -13.648 11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.371 -14.627 9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.836 -13.281 10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.781 -14.950 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.692 -13.423 9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.131 -13.572 8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.625 -15.413 11.966 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.821 -14.354 12.751 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.365 -15.720 11.749 1.00 0.00 H new ATOM 139 N ALA A 11 -7.074 -11.113 9.923 1.00 0.00 N ATOM 140 CA ALA A 11 -8.116 -10.481 9.132 1.00 0.00 C ATOM 141 C ALA A 11 -7.778 -9.001 8.940 1.00 0.00 C ATOM 142 O ALA A 11 -8.257 -8.369 7.999 1.00 0.00 O ATOM 143 CB ALA A 11 -9.470 -10.686 9.815 1.00 0.00 C ATOM 0 H ALA A 11 -7.392 -11.514 10.806 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.177 -10.936 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.252 -10.212 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.676 -11.753 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.447 -10.239 10.809 1.00 0.00 H new ATOM 149 N VAL A 12 -6.957 -8.492 9.846 1.00 0.00 N ATOM 150 CA VAL A 12 -6.549 -7.099 9.788 1.00 0.00 C ATOM 151 C VAL A 12 -5.481 -6.929 8.706 1.00 0.00 C ATOM 152 O VAL A 12 -5.576 -6.032 7.870 1.00 0.00 O ATOM 153 CB VAL A 12 -6.083 -6.632 11.168 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.825 -5.767 11.058 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.199 -5.885 11.901 1.00 0.00 C ATOM 0 H VAL A 12 -6.563 -9.020 10.625 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.392 -6.465 9.514 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.832 -7.517 11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.515 -5.448 12.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.025 -6.346 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.038 -4.890 10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.841 -5.564 12.879 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.496 -5.012 11.319 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.057 -6.546 12.028 1.00 0.00 H new ATOM 165 N GLY A 13 -4.487 -7.804 8.759 1.00 0.00 N ATOM 166 CA GLY A 13 -3.401 -7.762 7.794 1.00 0.00 C ATOM 167 C GLY A 13 -3.917 -8.023 6.377 1.00 0.00 C ATOM 168 O GLY A 13 -3.405 -7.456 5.413 1.00 0.00 O ATOM 0 H GLY A 13 -4.411 -8.546 9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.912 -6.789 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.649 -8.507 8.054 1.00 0.00 H new ATOM 172 N LEU A 14 -4.923 -8.881 6.296 1.00 0.00 N ATOM 173 CA LEU A 14 -5.513 -9.224 5.014 1.00 0.00 C ATOM 174 C LEU A 14 -6.298 -8.023 4.481 1.00 0.00 C ATOM 175 O LEU A 14 -6.285 -7.751 3.281 1.00 0.00 O ATOM 176 CB LEU A 14 -6.348 -10.501 5.132 1.00 0.00 C ATOM 177 CG LEU A 14 -7.740 -10.452 4.500 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.650 -10.436 2.973 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.614 -11.600 5.011 1.00 0.00 C ATOM 0 H LEU A 14 -5.345 -9.349 7.098 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.735 -9.446 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.791 -11.319 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.459 -10.743 6.189 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.220 -9.521 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.654 -10.401 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.090 -9.558 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.142 -11.337 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.598 -11.542 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.148 -12.552 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.719 -11.524 6.093 1.00 0.00 H new ATOM 191 N GLY A 15 -6.963 -7.337 5.399 1.00 0.00 N ATOM 192 CA GLY A 15 -7.752 -6.172 5.036 1.00 0.00 C ATOM 193 C GLY A 15 -6.850 -5.007 4.621 1.00 0.00 C ATOM 194 O GLY A 15 -7.066 -4.393 3.577 1.00 0.00 O ATOM 0 H GLY A 15 -6.972 -7.565 6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.425 -6.425 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.374 -5.872 5.879 1.00 0.00 H new ATOM 198 N ALA A 16 -5.860 -4.739 5.459 1.00 0.00 N ATOM 199 CA ALA A 16 -4.926 -3.658 5.192 1.00 0.00 C ATOM 200 C ALA A 16 -4.102 -3.998 3.948 1.00 0.00 C ATOM 201 O ALA A 16 -3.485 -3.119 3.349 1.00 0.00 O ATOM 202 CB ALA A 16 -4.051 -3.424 6.425 1.00 0.00 C ATOM 0 H ALA A 16 -5.684 -5.251 6.323 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.460 -2.730 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.350 -2.613 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.681 -3.158 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.497 -4.334 6.656 1.00 0.00 H new ATOM 208 N LEU A 17 -4.119 -5.276 3.597 1.00 0.00 N ATOM 209 CA LEU A 17 -3.382 -5.743 2.436 1.00 0.00 C ATOM 210 C LEU A 17 -4.061 -5.227 1.165 1.00 0.00 C ATOM 211 O LEU A 17 -3.446 -4.513 0.375 1.00 0.00 O ATOM 212 CB LEU A 17 -3.226 -7.264 2.476 1.00 0.00 C ATOM 213 CG LEU A 17 -3.017 -7.953 1.126 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.717 -8.760 1.117 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.228 -8.812 0.755 1.00 0.00 C ATOM 0 H LEU A 17 -4.632 -6.002 4.097 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.368 -5.342 2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.380 -7.506 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.114 -7.688 2.944 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.922 -7.183 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.593 -9.239 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.874 -8.094 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.756 -9.522 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.053 -9.290 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.379 -9.576 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.115 -8.182 0.692 1.00 0.00 H new ATOM 227 N GLY A 18 -5.320 -5.610 1.008 1.00 0.00 N ATOM 228 CA GLY A 18 -6.089 -5.196 -0.153 1.00 0.00 C ATOM 229 C GLY A 18 -6.411 -3.701 -0.092 1.00 0.00 C ATOM 230 O GLY A 18 -6.231 -2.983 -1.074 1.00 0.00 O ATOM 0 H GLY A 18 -5.826 -6.203 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.528 -5.414 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.015 -5.769 -0.204 1.00 0.00 H new ATOM 234 N ALA A 19 -6.882 -3.277 1.072 1.00 0.00 N ATOM 235 CA ALA A 19 -7.231 -1.881 1.273 1.00 0.00 C ATOM 236 C ALA A 19 -5.987 -1.014 1.071 1.00 0.00 C ATOM 237 O ALA A 19 -6.063 0.058 0.473 1.00 0.00 O ATOM 238 CB ALA A 19 -7.845 -1.704 2.664 1.00 0.00 C ATOM 0 H ALA A 19 -7.030 -3.875 1.885 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.976 -1.563 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.107 -0.657 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.742 -2.318 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.124 -2.011 3.422 1.00 0.00 H new ATOM 244 N GLY A 20 -4.869 -1.511 1.582 1.00 0.00 N ATOM 245 CA GLY A 20 -3.610 -0.795 1.465 1.00 0.00 C ATOM 246 C GLY A 20 -3.292 -0.481 0.001 1.00 0.00 C ATOM 247 O GLY A 20 -2.868 0.628 -0.321 1.00 0.00 O ATOM 0 H GLY A 20 -4.809 -2.400 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.660 0.132 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.806 -1.392 1.895 1.00 0.00 H new ATOM 251 N ILE A 21 -3.510 -1.477 -0.845 1.00 0.00 N ATOM 252 CA ILE A 21 -3.252 -1.320 -2.267 1.00 0.00 C ATOM 253 C ILE A 21 -4.279 -0.357 -2.864 1.00 0.00 C ATOM 254 O ILE A 21 -3.955 0.428 -3.754 1.00 0.00 O ATOM 255 CB ILE A 21 -3.214 -2.685 -2.958 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.887 -2.891 -3.691 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.416 -2.862 -3.887 1.00 0.00 C ATOM 258 CD1 ILE A 21 -1.997 -2.461 -5.155 1.00 0.00 C ATOM 0 H ILE A 21 -3.862 -2.395 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.269 -0.878 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.282 -3.458 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.102 -2.318 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.597 -3.940 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.365 -3.840 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.337 -2.789 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.404 -2.084 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.040 -2.618 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.766 -3.053 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.263 -1.405 -5.205 1.00 0.00 H new ATOM 270 N GLY A 22 -5.497 -0.448 -2.351 1.00 0.00 N ATOM 271 CA GLY A 22 -6.574 0.406 -2.823 1.00 0.00 C ATOM 272 C GLY A 22 -6.382 1.846 -2.342 1.00 0.00 C ATOM 273 O GLY A 22 -6.751 2.791 -3.038 1.00 0.00 O ATOM 0 H GLY A 22 -5.762 -1.100 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.610 0.384 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.530 0.023 -2.465 1.00 0.00 H new ATOM 277 N ASN A 23 -5.806 1.968 -1.155 1.00 0.00 N ATOM 278 CA ASN A 23 -5.562 3.277 -0.573 1.00 0.00 C ATOM 279 C ASN A 23 -4.308 3.885 -1.205 1.00 0.00 C ATOM 280 O ASN A 23 -4.162 5.106 -1.252 1.00 0.00 O ATOM 281 CB ASN A 23 -5.327 3.174 0.936 1.00 0.00 C ATOM 282 CG ASN A 23 -5.483 4.538 1.609 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.537 5.125 2.108 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.727 5.009 1.596 1.00 0.00 N ATOM 0 H ASN A 23 -5.501 1.182 -0.581 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.438 3.898 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.034 2.467 1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.328 2.783 1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.935 5.913 2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.473 4.466 1.161 1.00 0.00 H new ATOM 291 N GLY A 24 -3.436 3.007 -1.677 1.00 0.00 N ATOM 292 CA GLY A 24 -2.200 3.442 -2.304 1.00 0.00 C ATOM 293 C GLY A 24 -2.448 3.903 -3.742 1.00 0.00 C ATOM 294 O GLY A 24 -1.885 4.903 -4.183 1.00 0.00 O ATOM 0 H GLY A 24 -3.561 1.995 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.763 4.257 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.478 2.625 -2.299 1.00 0.00 H new ATOM 298 N LEU A 25 -3.292 3.151 -4.433 1.00 0.00 N ATOM 299 CA LEU A 25 -3.621 3.469 -5.812 1.00 0.00 C ATOM 300 C LEU A 25 -4.428 4.769 -5.852 1.00 0.00 C ATOM 301 O LEU A 25 -4.296 5.556 -6.788 1.00 0.00 O ATOM 302 CB LEU A 25 -4.326 2.287 -6.482 1.00 0.00 C ATOM 303 CG LEU A 25 -5.605 1.795 -5.801 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.777 2.734 -6.093 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.915 0.350 -6.195 1.00 0.00 C ATOM 0 H LEU A 25 -3.758 2.322 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.713 3.638 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.569 2.568 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.624 1.455 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.445 1.806 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.674 2.362 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.545 3.732 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.949 2.778 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.829 0.025 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.048 0.288 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.089 -0.294 -5.894 1.00 0.00 H new ATOM 317 N ILE A 26 -5.245 4.952 -4.825 1.00 0.00 N ATOM 318 CA ILE A 26 -6.073 6.143 -4.731 1.00 0.00 C ATOM 319 C ILE A 26 -5.174 7.376 -4.622 1.00 0.00 C ATOM 320 O ILE A 26 -5.371 8.357 -5.338 1.00 0.00 O ATOM 321 CB ILE A 26 -7.075 6.009 -3.583 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.435 5.529 -4.095 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.187 7.317 -2.798 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.116 6.610 -4.937 1.00 0.00 C ATOM 0 H ILE A 26 -5.351 4.296 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.672 6.263 -5.634 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.705 5.250 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.305 4.626 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.073 5.264 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.906 7.195 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.213 7.577 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.522 8.113 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.080 6.244 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.266 7.503 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.487 6.855 -5.793 1.00 0.00 H new ATOM 336 N VAL A 27 -4.207 7.287 -3.722 1.00 0.00 N ATOM 337 CA VAL A 27 -3.277 8.383 -3.510 1.00 0.00 C ATOM 338 C VAL A 27 -2.397 8.547 -4.751 1.00 0.00 C ATOM 339 O VAL A 27 -2.089 9.668 -5.154 1.00 0.00 O ATOM 340 CB VAL A 27 -2.470 8.146 -2.232 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.660 9.388 -1.857 1.00 0.00 C ATOM 342 CG2 VAL A 27 -3.381 7.717 -1.080 1.00 0.00 C ATOM 0 H VAL A 27 -4.047 6.472 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.817 9.319 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.769 7.334 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.096 9.193 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.970 9.630 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.336 10.227 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.782 7.555 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.117 8.497 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.893 6.792 -1.346 1.00 0.00 H new ATOM 352 N SER A 28 -2.018 7.413 -5.322 1.00 0.00 N ATOM 353 CA SER A 28 -1.180 7.417 -6.509 1.00 0.00 C ATOM 354 C SER A 28 -1.922 8.079 -7.671 1.00 0.00 C ATOM 355 O SER A 28 -1.299 8.663 -8.557 1.00 0.00 O ATOM 356 CB SER A 28 -0.757 5.997 -6.889 1.00 0.00 C ATOM 357 OG SER A 28 -1.797 5.293 -7.563 1.00 0.00 O ATOM 0 H SER A 28 -2.276 6.486 -4.985 1.00 0.00 H new ATOM 0 HA SER A 28 -0.278 7.989 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.125 6.040 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.473 5.450 -5.990 1.00 0.00 H new ATOM 0 HG SER A 28 -2.666 5.665 -7.303 1.00 0.00 H new ATOM 363 N ARG A 29 -3.241 7.967 -7.630 1.00 0.00 N ATOM 364 CA ARG A 29 -4.074 8.548 -8.669 1.00 0.00 C ATOM 365 C ARG A 29 -4.141 10.068 -8.509 1.00 0.00 C ATOM 366 O ARG A 29 -4.240 10.796 -9.495 1.00 0.00 O ATOM 367 CB ARG A 29 -5.492 7.975 -8.623 1.00 0.00 C ATOM 368 CG ARG A 29 -6.207 8.171 -9.961 1.00 0.00 C ATOM 369 CD ARG A 29 -5.657 7.215 -11.022 1.00 0.00 C ATOM 370 NE ARG A 29 -6.725 6.297 -11.478 1.00 0.00 N ATOM 371 CZ ARG A 29 -6.617 5.489 -12.542 1.00 0.00 C ATOM 372 NH1 ARG A 29 -5.490 5.481 -13.266 1.00 0.00 N ATOM 373 NH2 ARG A 29 -7.637 4.689 -12.882 1.00 0.00 N ATOM 0 H ARG A 29 -3.754 7.482 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.625 8.300 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.451 6.913 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.059 8.461 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.276 8.003 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.084 9.201 -10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.268 7.782 -11.868 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.825 6.643 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.597 6.278 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.714 6.090 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.408 4.866 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.495 4.695 -12.331 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.555 4.074 -13.692 1.00 0.00 H new ATOM 387 N THR A 30 -4.083 10.502 -7.258 1.00 0.00 N ATOM 388 CA THR A 30 -4.136 11.922 -6.956 1.00 0.00 C ATOM 389 C THR A 30 -2.776 12.573 -7.217 1.00 0.00 C ATOM 390 O THR A 30 -2.705 13.676 -7.757 1.00 0.00 O ATOM 391 CB THR A 30 -4.619 12.081 -5.513 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.464 13.227 -5.554 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.492 12.483 -4.559 1.00 0.00 C ATOM 0 H THR A 30 -4.000 9.895 -6.442 1.00 0.00 H new ATOM 0 HA THR A 30 -4.840 12.439 -7.608 1.00 0.00 H new ATOM 0 HB THR A 30 -5.065 11.146 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.822 13.401 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.889 12.582 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.715 11.718 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.068 13.435 -4.878 1.00 0.00 H new ATOM 401 N ILE A 31 -1.730 11.863 -6.821 1.00 0.00 N ATOM 402 CA ILE A 31 -0.376 12.358 -7.005 1.00 0.00 C ATOM 403 C ILE A 31 -0.068 12.442 -8.501 1.00 0.00 C ATOM 404 O ILE A 31 0.525 13.417 -8.963 1.00 0.00 O ATOM 405 CB ILE A 31 0.619 11.503 -6.219 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.758 12.359 -5.662 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.137 10.342 -7.071 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.512 12.711 -4.194 1.00 0.00 C ATOM 0 H ILE A 31 -1.793 10.949 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.281 13.366 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 31 0.097 11.069 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.702 11.822 -5.758 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.851 13.273 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.843 9.750 -6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.301 9.713 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.637 10.735 -7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.336 13.320 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.580 13.269 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.444 11.795 -3.607 1.00 0.00 H new ATOM 420 N GLU A 32 -0.483 11.408 -9.217 1.00 0.00 N ATOM 421 CA GLU A 32 -0.258 11.353 -10.652 1.00 0.00 C ATOM 422 C GLU A 32 -1.116 12.401 -11.364 1.00 0.00 C ATOM 423 O GLU A 32 -0.757 12.873 -12.442 1.00 0.00 O ATOM 424 CB GLU A 32 -0.540 9.951 -11.197 1.00 0.00 C ATOM 425 CG GLU A 32 -2.038 9.642 -11.169 1.00 0.00 C ATOM 426 CD GLU A 32 -2.312 8.210 -11.633 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.736 7.292 -11.010 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.090 8.066 -12.601 1.00 0.00 O ATOM 0 H GLU A 32 -0.974 10.602 -8.831 1.00 0.00 H new ATOM 0 HA GLU A 32 0.791 11.578 -10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.168 9.873 -12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.002 9.212 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.423 9.780 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.570 10.344 -11.811 1.00 0.00 H new ATOM 435 N GLY A 33 -2.232 12.733 -10.734 1.00 0.00 N ATOM 436 CA GLY A 33 -3.144 13.717 -11.294 1.00 0.00 C ATOM 437 C GLY A 33 -2.528 15.117 -11.261 1.00 0.00 C ATOM 438 O GLY A 33 -2.797 15.938 -12.135 1.00 0.00 O ATOM 0 H GLY A 33 -2.526 12.338 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.389 13.448 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.078 13.713 -10.732 1.00 0.00 H new ATOM 442 N ILE A 34 -1.711 15.345 -10.242 1.00 0.00 N ATOM 443 CA ILE A 34 -1.055 16.632 -10.084 1.00 0.00 C ATOM 444 C ILE A 34 0.183 16.682 -10.982 1.00 0.00 C ATOM 445 O ILE A 34 0.541 17.742 -11.493 1.00 0.00 O ATOM 446 CB ILE A 34 -0.755 16.902 -8.608 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.654 16.433 -8.240 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.821 16.275 -7.708 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.677 17.551 -8.451 1.00 0.00 C ATOM 0 H ILE A 34 -1.489 14.661 -9.519 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.715 17.438 -10.405 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.789 17.979 -8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.673 16.109 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.924 15.569 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.584 16.482 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.796 16.699 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.844 15.197 -7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.670 17.191 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.673 17.855 -9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.418 18.404 -7.824 1.00 0.00 H new ATOM 461 N ALA A 35 0.802 15.522 -11.148 1.00 0.00 N ATOM 462 CA ALA A 35 1.992 15.421 -11.975 1.00 0.00 C ATOM 463 C ALA A 35 1.613 15.665 -13.438 1.00 0.00 C ATOM 464 O ALA A 35 2.468 15.996 -14.257 1.00 0.00 O ATOM 465 CB ALA A 35 2.647 14.055 -11.763 1.00 0.00 C ATOM 0 H ALA A 35 0.502 14.644 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 35 2.722 16.180 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.540 13.979 -12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.923 13.943 -10.715 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.945 13.268 -12.040 1.00 0.00 H new ATOM 471 N ARG A 36 0.330 15.491 -13.720 1.00 0.00 N ATOM 472 CA ARG A 36 -0.173 15.688 -15.069 1.00 0.00 C ATOM 473 C ARG A 36 0.259 17.056 -15.602 1.00 0.00 C ATOM 474 O ARG A 36 0.653 17.178 -16.760 1.00 0.00 O ATOM 475 CB ARG A 36 -1.699 15.593 -15.107 1.00 0.00 C ATOM 476 CG ARG A 36 -2.155 14.135 -15.203 1.00 0.00 C ATOM 477 CD ARG A 36 -3.674 14.025 -15.063 1.00 0.00 C ATOM 478 NE ARG A 36 -4.301 13.924 -16.400 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.610 13.723 -16.603 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.439 13.601 -15.558 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.090 13.644 -17.852 1.00 0.00 N ATOM 0 H ARG A 36 -0.376 15.216 -13.037 1.00 0.00 H new ATOM 0 HA ARG A 36 0.245 14.901 -15.697 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.118 16.051 -14.211 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.081 16.154 -15.960 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.843 13.715 -16.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.671 13.547 -14.423 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.930 13.150 -14.466 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.063 14.896 -14.535 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.699 14.013 -17.218 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.074 13.661 -14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.436 13.448 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.459 13.737 -18.648 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.087 13.491 -18.007 1.00 0.00 H new ATOM 495 N GLN A 37 0.171 18.050 -14.730 1.00 0.00 N ATOM 496 CA GLN A 37 0.547 19.404 -15.099 1.00 0.00 C ATOM 497 C GLN A 37 1.985 19.431 -15.623 1.00 0.00 C ATOM 498 O GLN A 37 2.728 18.466 -15.455 1.00 0.00 O ATOM 499 CB GLN A 37 0.376 20.361 -13.918 1.00 0.00 C ATOM 500 CG GLN A 37 -0.976 21.075 -13.982 1.00 0.00 C ATOM 501 CD GLN A 37 -1.125 22.071 -12.830 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.267 22.202 -11.973 1.00 0.00 O ATOM 503 NE2 GLN A 37 -2.260 22.764 -12.857 1.00 0.00 N ATOM 0 H GLN A 37 -0.155 17.945 -13.769 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.116 19.740 -15.896 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.455 19.807 -12.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.180 21.097 -13.922 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.071 21.598 -14.934 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.781 20.341 -13.940 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.937 22.605 -13.604 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.454 23.454 -12.131 1.00 0.00 H new ATOM 512 N PRO A 38 2.342 20.577 -16.263 1.00 0.00 N ATOM 513 CA PRO A 38 3.676 20.742 -16.812 1.00 0.00 C ATOM 514 C PRO A 38 4.697 21.003 -15.703 1.00 0.00 C ATOM 515 O PRO A 38 5.726 20.332 -15.630 1.00 0.00 O ATOM 516 CB PRO A 38 3.558 21.897 -17.793 1.00 0.00 C ATOM 517 CG PRO A 38 2.282 22.634 -17.417 1.00 0.00 C ATOM 518 CD PRO A 38 1.487 21.741 -16.479 1.00 0.00 C ATOM 0 HA PRO A 38 4.037 19.845 -17.315 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.424 22.556 -17.727 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.512 21.534 -18.820 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.517 23.582 -16.933 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.699 22.867 -18.308 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.266 22.250 -15.541 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.532 21.455 -16.919 1.00 0.00 H new ATOM 526 N GLU A 39 4.378 21.979 -14.866 1.00 0.00 N ATOM 527 CA GLU A 39 5.255 22.337 -13.764 1.00 0.00 C ATOM 528 C GLU A 39 5.497 21.124 -12.863 1.00 0.00 C ATOM 529 O GLU A 39 6.448 21.106 -12.083 1.00 0.00 O ATOM 530 CB GLU A 39 4.680 23.508 -12.964 1.00 0.00 C ATOM 531 CG GLU A 39 5.443 23.702 -11.652 1.00 0.00 C ATOM 532 CD GLU A 39 4.938 24.936 -10.901 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.967 26.025 -11.515 1.00 0.00 O ATOM 534 OE2 GLU A 39 4.533 24.763 -9.732 1.00 0.00 O ATOM 0 H GLU A 39 3.524 22.533 -14.929 1.00 0.00 H new ATOM 0 HA GLU A 39 6.212 22.656 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.733 24.420 -13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.626 23.326 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.327 22.818 -11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.508 23.808 -11.859 1.00 0.00 H new ATOM 541 N LEU A 40 4.621 20.140 -13.002 1.00 0.00 N ATOM 542 CA LEU A 40 4.728 18.926 -12.210 1.00 0.00 C ATOM 543 C LEU A 40 5.146 17.767 -13.117 1.00 0.00 C ATOM 544 O LEU A 40 4.758 16.622 -12.886 1.00 0.00 O ATOM 545 CB LEU A 40 3.428 18.669 -11.444 1.00 0.00 C ATOM 546 CG LEU A 40 2.939 19.812 -10.552 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.915 20.064 -9.401 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.681 21.077 -11.373 1.00 0.00 C ATOM 0 H LEU A 40 3.834 20.158 -13.651 1.00 0.00 H new ATOM 0 HA LEU A 40 5.502 19.034 -11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.644 18.436 -12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.564 17.783 -10.824 1.00 0.00 H new ATOM 0 HG LEU A 40 1.988 19.517 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.544 20.881 -8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.005 19.162 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.892 20.329 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.334 21.874 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.604 21.387 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.921 20.873 -12.127 1.00 0.00 H new ATOM 560 N ARG A 41 5.933 18.103 -14.128 1.00 0.00 N ATOM 561 CA ARG A 41 6.409 17.104 -15.071 1.00 0.00 C ATOM 562 C ARG A 41 7.281 16.071 -14.354 1.00 0.00 C ATOM 563 O ARG A 41 7.183 14.876 -14.625 1.00 0.00 O ATOM 564 CB ARG A 41 7.217 17.751 -16.197 1.00 0.00 C ATOM 565 CG ARG A 41 8.057 16.708 -16.938 1.00 0.00 C ATOM 566 CD ARG A 41 7.165 15.644 -17.582 1.00 0.00 C ATOM 567 NE ARG A 41 7.087 15.866 -19.043 1.00 0.00 N ATOM 568 CZ ARG A 41 8.111 15.682 -19.887 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.298 15.272 -19.421 1.00 0.00 N ATOM 570 NH2 ARG A 41 7.948 15.909 -21.198 1.00 0.00 N ATOM 0 H ARG A 41 6.253 19.053 -14.315 1.00 0.00 H new ATOM 0 HA ARG A 41 5.537 16.612 -15.502 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.542 18.244 -16.897 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.868 18.522 -15.786 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.657 17.197 -17.705 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.751 16.234 -16.244 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.564 14.651 -17.378 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.167 15.682 -17.146 1.00 0.00 H new ATOM 0 HE ARG A 41 6.197 16.179 -19.432 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.422 15.100 -18.423 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.077 15.132 -20.064 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.044 16.222 -21.553 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.728 15.769 -21.841 1.00 0.00 H new ATOM 584 N PRO A 42 8.137 16.584 -13.430 1.00 0.00 N ATOM 585 CA PRO A 42 9.026 15.720 -12.672 1.00 0.00 C ATOM 586 C PRO A 42 8.259 14.958 -11.590 1.00 0.00 C ATOM 587 O PRO A 42 8.736 13.943 -11.083 1.00 0.00 O ATOM 588 CB PRO A 42 10.088 16.647 -12.106 1.00 0.00 C ATOM 589 CG PRO A 42 9.500 18.047 -12.177 1.00 0.00 C ATOM 590 CD PRO A 42 8.281 17.995 -13.083 1.00 0.00 C ATOM 0 HA PRO A 42 9.481 14.943 -13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.334 16.378 -11.079 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.011 16.581 -12.682 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.222 18.395 -11.182 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.236 18.751 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.393 18.370 -12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.422 18.609 -13.972 1.00 0.00 H new ATOM 598 N VAL A 43 7.083 15.476 -11.267 1.00 0.00 N ATOM 599 CA VAL A 43 6.245 14.857 -10.254 1.00 0.00 C ATOM 600 C VAL A 43 5.827 13.463 -10.726 1.00 0.00 C ATOM 601 O VAL A 43 5.588 12.574 -9.910 1.00 0.00 O ATOM 602 CB VAL A 43 5.053 15.763 -9.936 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.109 15.095 -8.934 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.521 17.126 -9.424 1.00 0.00 C ATOM 0 H VAL A 43 6.691 16.318 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 43 6.799 14.733 -9.324 1.00 0.00 H new ATOM 0 HB VAL A 43 4.500 15.925 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.271 15.760 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.736 14.161 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.647 14.888 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.654 17.750 -9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.109 16.991 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.134 17.610 -10.185 1.00 0.00 H new ATOM 614 N LEU A 44 5.753 13.316 -12.040 1.00 0.00 N ATOM 615 CA LEU A 44 5.368 12.045 -12.630 1.00 0.00 C ATOM 616 C LEU A 44 6.275 10.939 -12.085 1.00 0.00 C ATOM 617 O LEU A 44 5.803 9.855 -11.747 1.00 0.00 O ATOM 618 CB LEU A 44 5.367 12.141 -14.157 1.00 0.00 C ATOM 619 CG LEU A 44 4.114 12.751 -14.789 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.336 13.044 -16.274 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.893 11.859 -14.557 1.00 0.00 C ATOM 0 H LEU A 44 5.953 14.056 -12.713 1.00 0.00 H new ATOM 0 HA LEU A 44 4.347 11.789 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.230 12.732 -14.465 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.505 11.139 -14.564 1.00 0.00 H new ATOM 0 HG LEU A 44 3.914 13.704 -14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.430 13.477 -16.699 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.162 13.747 -16.387 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.575 12.117 -16.796 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.016 12.316 -15.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.068 10.880 -15.003 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.724 11.745 -13.486 1.00 0.00 H new ATOM 633 N GLN A 45 7.560 11.253 -12.016 1.00 0.00 N ATOM 634 CA GLN A 45 8.537 10.299 -11.517 1.00 0.00 C ATOM 635 C GLN A 45 8.206 9.905 -10.077 1.00 0.00 C ATOM 636 O GLN A 45 8.404 8.756 -9.683 1.00 0.00 O ATOM 637 CB GLN A 45 9.955 10.864 -11.619 1.00 0.00 C ATOM 638 CG GLN A 45 10.985 9.855 -11.108 1.00 0.00 C ATOM 639 CD GLN A 45 12.290 9.953 -11.900 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.851 11.019 -12.092 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.740 8.784 -12.348 1.00 0.00 N ATOM 0 H GLN A 45 7.948 12.154 -12.297 1.00 0.00 H new ATOM 0 HA GLN A 45 8.492 9.404 -12.137 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.175 11.120 -12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.026 11.786 -11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.183 10.035 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.581 8.846 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.221 7.928 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.604 8.743 -12.888 1.00 0.00 H new ATOM 650 N THR A 46 7.708 10.879 -9.329 1.00 0.00 N ATOM 651 CA THR A 46 7.348 10.647 -7.941 1.00 0.00 C ATOM 652 C THR A 46 6.066 9.817 -7.854 1.00 0.00 C ATOM 653 O THR A 46 5.886 9.044 -6.914 1.00 0.00 O ATOM 654 CB THR A 46 7.239 12.007 -7.248 1.00 0.00 C ATOM 655 OG1 THR A 46 8.045 11.867 -6.081 1.00 0.00 O ATOM 656 CG2 THR A 46 5.836 12.275 -6.702 1.00 0.00 C ATOM 0 H THR A 46 7.545 11.831 -9.658 1.00 0.00 H new ATOM 0 HA THR A 46 8.111 10.063 -7.427 1.00 0.00 H new ATOM 0 HB THR A 46 7.512 12.795 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.033 12.705 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.814 13.253 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.117 12.258 -7.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.576 11.506 -5.975 1.00 0.00 H new ATOM 664 N THR A 47 5.208 10.005 -8.846 1.00 0.00 N ATOM 665 CA THR A 47 3.948 9.283 -8.893 1.00 0.00 C ATOM 666 C THR A 47 4.177 7.842 -9.353 1.00 0.00 C ATOM 667 O THR A 47 3.458 6.933 -8.939 1.00 0.00 O ATOM 668 CB THR A 47 2.989 10.063 -9.794 1.00 0.00 C ATOM 669 OG1 THR A 47 3.482 9.829 -11.111 1.00 0.00 O ATOM 670 CG2 THR A 47 3.117 11.577 -9.613 1.00 0.00 C ATOM 0 H THR A 47 5.361 10.647 -9.624 1.00 0.00 H new ATOM 0 HA THR A 47 3.498 9.208 -7.903 1.00 0.00 H new ATOM 0 HB THR A 47 1.964 9.757 -9.584 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.462 9.816 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.415 12.083 -10.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.895 11.840 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.133 11.888 -9.856 1.00 0.00 H new ATOM 678 N MET A 48 5.180 7.677 -10.202 1.00 0.00 N ATOM 679 CA MET A 48 5.512 6.362 -10.722 1.00 0.00 C ATOM 680 C MET A 48 6.070 5.460 -9.619 1.00 0.00 C ATOM 681 O MET A 48 5.738 4.278 -9.551 1.00 0.00 O ATOM 682 CB MET A 48 6.548 6.501 -11.840 1.00 0.00 C ATOM 683 CG MET A 48 5.868 6.609 -13.207 1.00 0.00 C ATOM 684 SD MET A 48 7.059 6.326 -14.505 1.00 0.00 S ATOM 685 CE MET A 48 5.964 5.861 -15.835 1.00 0.00 C ATOM 0 H MET A 48 5.774 8.433 -10.543 1.00 0.00 H new ATOM 0 HA MET A 48 4.602 5.907 -11.112 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.162 7.384 -11.664 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.217 5.641 -11.830 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.060 5.881 -13.279 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.420 7.596 -13.322 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.549 5.648 -16.730 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.401 4.972 -15.549 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.272 6.678 -16.039 1.00 0.00 H new ATOM 695 N PHE A 49 6.908 6.053 -8.782 1.00 0.00 N ATOM 696 CA PHE A 49 7.515 5.319 -7.685 1.00 0.00 C ATOM 697 C PHE A 49 6.497 5.050 -6.575 1.00 0.00 C ATOM 698 O PHE A 49 6.564 4.022 -5.902 1.00 0.00 O ATOM 699 CB PHE A 49 8.639 6.195 -7.128 1.00 0.00 C ATOM 700 CG PHE A 49 9.948 5.443 -6.878 1.00 0.00 C ATOM 701 CD1 PHE A 49 9.962 4.354 -6.064 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.098 5.864 -7.470 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.177 3.656 -5.832 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.313 5.167 -7.238 1.00 0.00 C ATOM 705 CZ PHE A 49 12.327 4.078 -6.424 1.00 0.00 C ATOM 0 H PHE A 49 7.181 7.034 -8.841 1.00 0.00 H new ATOM 0 HA PHE A 49 7.886 4.358 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.828 7.012 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.306 6.645 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.049 4.020 -5.594 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.087 6.729 -8.117 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.188 2.791 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.226 5.502 -7.708 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.251 3.548 -6.247 1.00 0.00 H new ATOM 715 N ILE A 50 5.578 5.991 -6.419 1.00 0.00 N ATOM 716 CA ILE A 50 4.547 5.868 -5.402 1.00 0.00 C ATOM 717 C ILE A 50 3.629 4.695 -5.751 1.00 0.00 C ATOM 718 O ILE A 50 3.203 3.951 -4.869 1.00 0.00 O ATOM 719 CB ILE A 50 3.807 7.196 -5.226 1.00 0.00 C ATOM 720 CG1 ILE A 50 3.776 7.616 -3.755 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.404 7.127 -5.832 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.132 8.171 -3.314 1.00 0.00 C ATOM 0 H ILE A 50 5.525 6.842 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 50 4.993 5.647 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 50 4.355 7.966 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.004 8.371 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.510 6.760 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.900 8.084 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.478 6.907 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.833 6.341 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.082 8.462 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.898 7.406 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.384 9.041 -3.920 1.00 0.00 H new ATOM 734 N GLY A 51 3.351 4.566 -7.041 1.00 0.00 N ATOM 735 CA GLY A 51 2.492 3.496 -7.517 1.00 0.00 C ATOM 736 C GLY A 51 3.101 2.126 -7.210 1.00 0.00 C ATOM 737 O GLY A 51 2.444 1.269 -6.621 1.00 0.00 O ATOM 0 H GLY A 51 3.706 5.185 -7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.512 3.576 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.340 3.598 -8.592 1.00 0.00 H new ATOM 741 N VAL A 52 4.349 1.962 -7.623 1.00 0.00 N ATOM 742 CA VAL A 52 5.053 0.711 -7.399 1.00 0.00 C ATOM 743 C VAL A 52 5.126 0.433 -5.897 1.00 0.00 C ATOM 744 O VAL A 52 4.778 -0.657 -5.446 1.00 0.00 O ATOM 745 CB VAL A 52 6.430 0.760 -8.066 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.195 -0.546 -7.839 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.306 1.071 -9.559 1.00 0.00 C ATOM 0 H VAL A 52 4.891 2.675 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 52 4.514 -0.118 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 52 6.998 1.567 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.170 -0.485 -8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.330 -0.707 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.631 -1.377 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.299 1.100 -10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.711 0.297 -10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.820 2.038 -9.690 1.00 0.00 H new ATOM 757 N ALA A 53 5.581 1.438 -5.163 1.00 0.00 N ATOM 758 CA ALA A 53 5.704 1.316 -3.720 1.00 0.00 C ATOM 759 C ALA A 53 4.368 0.850 -3.137 1.00 0.00 C ATOM 760 O ALA A 53 4.340 0.061 -2.194 1.00 0.00 O ATOM 761 CB ALA A 53 6.163 2.651 -3.131 1.00 0.00 C ATOM 0 H ALA A 53 5.869 2.341 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 53 6.456 0.570 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.255 2.559 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.129 2.923 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.432 3.424 -3.368 1.00 0.00 H new ATOM 767 N LEU A 54 3.294 1.360 -3.721 1.00 0.00 N ATOM 768 CA LEU A 54 1.958 1.006 -3.271 1.00 0.00 C ATOM 769 C LEU A 54 1.720 -0.485 -3.517 1.00 0.00 C ATOM 770 O LEU A 54 0.982 -1.131 -2.775 1.00 0.00 O ATOM 771 CB LEU A 54 0.914 1.911 -3.927 1.00 0.00 C ATOM 772 CG LEU A 54 -0.013 1.240 -4.943 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.037 0.345 -4.243 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.682 2.280 -5.845 1.00 0.00 C ATOM 0 H LEU A 54 3.321 2.016 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 54 1.861 1.172 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.301 2.353 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.433 2.730 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 54 0.591 0.598 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.683 -0.120 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.518 -0.430 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.641 0.946 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.335 1.777 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.270 2.966 -5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.082 2.839 -6.385 1.00 0.00 H new ATOM 786 N VAL A 55 2.360 -0.990 -4.562 1.00 0.00 N ATOM 787 CA VAL A 55 2.227 -2.393 -4.915 1.00 0.00 C ATOM 788 C VAL A 55 3.068 -3.237 -3.956 1.00 0.00 C ATOM 789 O VAL A 55 2.756 -4.402 -3.713 1.00 0.00 O ATOM 790 CB VAL A 55 2.605 -2.601 -6.383 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.022 -4.051 -6.642 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.459 -2.187 -7.309 1.00 0.00 C ATOM 0 H VAL A 55 2.972 -0.452 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 55 1.191 -2.717 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 55 3.460 -1.962 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.286 -4.172 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.883 -4.298 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.195 -4.717 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.754 -2.345 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.577 -2.788 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.229 -1.133 -7.154 1.00 0.00 H new ATOM 802 N GLU A 56 4.117 -2.617 -3.436 1.00 0.00 N ATOM 803 CA GLU A 56 5.005 -3.297 -2.509 1.00 0.00 C ATOM 804 C GLU A 56 4.347 -3.414 -1.133 1.00 0.00 C ATOM 805 O GLU A 56 4.923 -3.992 -0.212 1.00 0.00 O ATOM 806 CB GLU A 56 6.352 -2.579 -2.413 1.00 0.00 C ATOM 807 CG GLU A 56 7.066 -2.568 -3.766 1.00 0.00 C ATOM 808 CD GLU A 56 8.530 -2.154 -3.611 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.330 -3.031 -3.218 1.00 0.00 O ATOM 810 OE2 GLU A 56 8.817 -0.969 -3.888 1.00 0.00 O ATOM 0 H GLU A 56 4.372 -1.651 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 56 5.193 -4.302 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.199 -1.556 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.979 -3.073 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.011 -3.558 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.560 -1.880 -4.443 1.00 0.00 H new ATOM 817 N ALA A 57 3.149 -2.856 -1.036 1.00 0.00 N ATOM 818 CA ALA A 57 2.406 -2.891 0.213 1.00 0.00 C ATOM 819 C ALA A 57 1.536 -4.149 0.249 1.00 0.00 C ATOM 820 O ALA A 57 1.116 -4.586 1.319 1.00 0.00 O ATOM 821 CB ALA A 57 1.583 -1.609 0.353 1.00 0.00 C ATOM 0 H ALA A 57 2.674 -2.377 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 57 3.086 -2.936 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.026 -1.635 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.250 -0.747 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.886 -1.531 -0.482 1.00 0.00 H new ATOM 827 N LEU A 58 1.292 -4.695 -0.933 1.00 0.00 N ATOM 828 CA LEU A 58 0.480 -5.894 -1.050 1.00 0.00 C ATOM 829 C LEU A 58 1.207 -7.064 -0.385 1.00 0.00 C ATOM 830 O LEU A 58 0.637 -7.756 0.458 1.00 0.00 O ATOM 831 CB LEU A 58 0.110 -6.151 -2.512 1.00 0.00 C ATOM 832 CG LEU A 58 -1.329 -6.601 -2.772 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.329 -5.639 -2.127 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.586 -6.778 -4.270 1.00 0.00 C ATOM 0 H LEU A 58 1.642 -4.329 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.466 -5.766 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.291 -5.237 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.784 -6.910 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.473 -7.575 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.344 -5.982 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.162 -5.608 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.194 -4.641 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.616 -7.098 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.418 -5.831 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.907 -7.531 -4.669 1.00 0.00 H new ATOM 846 N PRO A 59 2.488 -7.256 -0.799 1.00 0.00 N ATOM 847 CA PRO A 59 3.299 -8.330 -0.253 1.00 0.00 C ATOM 848 C PRO A 59 3.771 -7.995 1.164 1.00 0.00 C ATOM 849 O PRO A 59 3.783 -8.860 2.039 1.00 0.00 O ATOM 850 CB PRO A 59 4.445 -8.498 -1.237 1.00 0.00 C ATOM 851 CG PRO A 59 4.491 -7.211 -2.046 1.00 0.00 C ATOM 852 CD PRO A 59 3.195 -6.457 -1.796 1.00 0.00 C ATOM 0 HA PRO A 59 2.745 -9.262 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.387 -8.665 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.282 -9.360 -1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.348 -6.605 -1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.606 -7.431 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.388 -5.448 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.611 -6.359 -2.711 1.00 0.00 H new ATOM 860 N ILE A 60 4.148 -6.738 1.345 1.00 0.00 N ATOM 861 CA ILE A 60 4.619 -6.278 2.640 1.00 0.00 C ATOM 862 C ILE A 60 3.580 -6.624 3.709 1.00 0.00 C ATOM 863 O ILE A 60 3.885 -7.325 4.673 1.00 0.00 O ATOM 864 CB ILE A 60 4.973 -4.791 2.585 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.410 -4.586 2.100 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.721 -4.116 3.935 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.849 -3.133 2.287 1.00 0.00 C ATOM 0 H ILE A 60 4.137 -6.024 0.617 1.00 0.00 H new ATOM 0 HA ILE A 60 5.541 -6.791 2.913 1.00 0.00 H new ATOM 0 HB ILE A 60 4.317 -4.311 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.081 -5.246 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.485 -4.860 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.981 -3.060 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.668 -4.214 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.334 -4.592 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.874 -3.014 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.191 -2.478 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.796 -2.870 3.343 1.00 0.00 H new ATOM 879 N ILE A 61 2.374 -6.116 3.502 1.00 0.00 N ATOM 880 CA ILE A 61 1.288 -6.362 4.436 1.00 0.00 C ATOM 881 C ILE A 61 1.038 -7.868 4.534 1.00 0.00 C ATOM 882 O ILE A 61 0.850 -8.400 5.627 1.00 0.00 O ATOM 883 CB ILE A 61 0.049 -5.557 4.041 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.362 -4.060 3.985 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.124 -5.863 4.974 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.519 -3.480 5.392 1.00 0.00 C ATOM 0 H ILE A 61 2.125 -5.535 2.701 1.00 0.00 H new ATOM 0 HA ILE A 61 1.558 -6.017 5.434 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.250 -5.861 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.278 -3.897 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.437 -3.537 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.992 -5.278 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.365 -6.925 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.852 -5.605 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.741 -2.415 5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.407 -3.623 5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.335 -3.988 5.906 1.00 0.00 H new ATOM 898 N GLY A 62 1.043 -8.514 3.377 1.00 0.00 N ATOM 899 CA GLY A 62 0.818 -9.948 3.319 1.00 0.00 C ATOM 900 C GLY A 62 1.752 -10.689 4.278 1.00 0.00 C ATOM 901 O GLY A 62 1.364 -11.689 4.879 1.00 0.00 O ATOM 0 H GLY A 62 1.199 -8.070 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.219 -10.168 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.979 -10.304 2.301 1.00 0.00 H new ATOM 905 N VAL A 63 2.965 -10.168 4.392 1.00 0.00 N ATOM 906 CA VAL A 63 3.958 -10.767 5.268 1.00 0.00 C ATOM 907 C VAL A 63 3.596 -10.464 6.723 1.00 0.00 C ATOM 908 O VAL A 63 3.879 -11.262 7.616 1.00 0.00 O ATOM 909 CB VAL A 63 5.356 -10.279 4.885 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.416 -10.860 5.824 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.674 -10.614 3.427 1.00 0.00 C ATOM 0 H VAL A 63 3.283 -9.338 3.892 1.00 0.00 H new ATOM 0 HA VAL A 63 3.965 -11.851 5.154 1.00 0.00 H new ATOM 0 HB VAL A 63 5.372 -9.194 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.401 -10.497 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.206 -10.549 6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.397 -11.948 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.674 -10.256 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.630 -11.694 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.945 -10.132 2.776 1.00 0.00 H new ATOM 921 N VAL A 64 2.976 -9.310 6.918 1.00 0.00 N ATOM 922 CA VAL A 64 2.573 -8.891 8.250 1.00 0.00 C ATOM 923 C VAL A 64 1.467 -9.819 8.758 1.00 0.00 C ATOM 924 O VAL A 64 1.594 -10.415 9.826 1.00 0.00 O ATOM 925 CB VAL A 64 2.157 -7.419 8.232 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.491 -7.022 9.551 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.354 -6.515 7.929 1.00 0.00 C ATOM 0 H VAL A 64 2.742 -8.651 6.175 1.00 0.00 H new ATOM 0 HA VAL A 64 3.409 -8.970 8.945 1.00 0.00 H new ATOM 0 HB VAL A 64 1.426 -7.287 7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.205 -5.971 9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.603 -7.634 9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.190 -7.178 10.373 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.031 -5.474 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.117 -6.653 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.767 -6.773 6.954 1.00 0.00 H new ATOM 937 N PHE A 65 0.407 -9.911 7.968 1.00 0.00 N ATOM 938 CA PHE A 65 -0.721 -10.756 8.325 1.00 0.00 C ATOM 939 C PHE A 65 -0.251 -12.154 8.730 1.00 0.00 C ATOM 940 O PHE A 65 -0.688 -12.689 9.749 1.00 0.00 O ATOM 941 CB PHE A 65 -1.606 -10.868 7.082 1.00 0.00 C ATOM 942 CG PHE A 65 -1.912 -12.308 6.664 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.581 -13.134 7.511 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.514 -12.760 5.445 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.865 -14.470 7.123 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.797 -14.097 5.057 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.467 -14.923 5.904 1.00 0.00 C ATOM 0 H PHE A 65 0.305 -9.415 7.083 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.258 -10.324 9.169 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.545 -10.347 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.117 -10.356 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.897 -12.774 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.983 -12.103 4.772 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.397 -15.126 7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.480 -14.457 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.683 -15.939 5.609 1.00 0.00 H new ATOM 957 N SER A 66 0.632 -12.707 7.912 1.00 0.00 N ATOM 958 CA SER A 66 1.165 -14.034 8.173 1.00 0.00 C ATOM 959 C SER A 66 1.968 -14.028 9.476 1.00 0.00 C ATOM 960 O SER A 66 1.771 -14.888 10.333 1.00 0.00 O ATOM 961 CB SER A 66 2.040 -14.513 7.013 1.00 0.00 C ATOM 962 OG SER A 66 3.381 -14.047 7.127 1.00 0.00 O ATOM 0 H SER A 66 0.992 -12.261 7.068 1.00 0.00 H new ATOM 0 HA SER A 66 0.329 -14.726 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.036 -15.603 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.615 -14.166 6.071 1.00 0.00 H new ATOM 0 HG SER A 66 3.386 -13.067 7.147 1.00 0.00 H new ATOM 968 N PHE A 67 2.855 -13.050 9.583 1.00 0.00 N ATOM 969 CA PHE A 67 3.688 -12.922 10.766 1.00 0.00 C ATOM 970 C PHE A 67 2.838 -12.936 12.039 1.00 0.00 C ATOM 971 O PHE A 67 3.256 -13.476 13.062 1.00 0.00 O ATOM 972 CB PHE A 67 4.408 -11.576 10.663 1.00 0.00 C ATOM 973 CG PHE A 67 5.893 -11.690 10.313 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.289 -12.479 9.278 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.817 -11.002 11.036 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.668 -12.584 8.953 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.195 -11.108 10.711 1.00 0.00 C ATOM 978 CZ PHE A 67 8.591 -11.897 9.677 1.00 0.00 C ATOM 0 H PHE A 67 3.015 -12.339 8.870 1.00 0.00 H new ATOM 0 HA PHE A 67 4.389 -13.755 10.819 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.913 -10.968 9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.308 -11.049 11.612 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.555 -13.025 8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.503 -10.375 11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.983 -13.210 8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.929 -10.562 11.285 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.639 -11.978 9.431 1.00 0.00 H new ATOM 988 N ILE A 68 1.662 -12.336 11.933 1.00 0.00 N ATOM 989 CA ILE A 68 0.750 -12.273 13.063 1.00 0.00 C ATOM 990 C ILE A 68 0.424 -13.693 13.529 1.00 0.00 C ATOM 991 O ILE A 68 0.528 -13.999 14.716 1.00 0.00 O ATOM 992 CB ILE A 68 -0.485 -11.442 12.708 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.374 -10.025 13.274 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.766 -12.143 13.165 1.00 0.00 C ATOM 995 CD1 ILE A 68 1.010 -9.433 13.004 1.00 0.00 C ATOM 0 H ILE A 68 1.319 -11.889 11.083 1.00 0.00 H new ATOM 0 HA ILE A 68 1.219 -11.762 13.904 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.536 -11.352 11.623 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.139 -9.390 12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.563 -10.043 14.347 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.629 -11.532 12.901 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.845 -13.113 12.675 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.738 -12.284 14.246 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.062 -8.425 13.417 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.771 -10.057 13.474 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.186 -9.394 11.929 1.00 0.00 H new ATOM 1007 N TYR A 69 0.035 -14.521 12.572 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.308 -15.901 12.870 1.00 0.00 C ATOM 1009 C TYR A 69 0.815 -16.589 13.649 1.00 0.00 C ATOM 1010 O TYR A 69 0.566 -17.226 14.671 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.473 -16.596 11.516 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.017 -18.023 11.612 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.063 -18.307 12.466 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.461 -19.026 10.845 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.575 -19.650 12.556 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.973 -20.369 10.935 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.004 -20.615 11.786 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.488 -21.883 11.871 1.00 0.00 O ATOM 0 H TYR A 69 -0.050 -14.263 11.589 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.211 -15.949 13.478 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.144 -16.003 10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.493 -16.619 11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.498 -17.522 13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.358 -18.804 10.177 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.394 -19.886 13.220 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.547 -21.163 10.340 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.986 -22.466 11.264 1.00 0.00 H new ATOM 1028 N LEU A 70 2.027 -16.437 13.135 1.00 0.00 N ATOM 1029 CA LEU A 70 3.189 -17.036 13.770 1.00 0.00 C ATOM 1030 C LEU A 70 3.259 -16.579 15.229 1.00 0.00 C ATOM 1031 O LEU A 70 3.917 -17.215 16.051 1.00 0.00 O ATOM 1032 CB LEU A 70 4.455 -16.729 12.968 1.00 0.00 C ATOM 1033 CG LEU A 70 5.445 -17.885 12.810 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.425 -18.433 11.382 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.851 -17.466 13.244 1.00 0.00 C ATOM 0 H LEU A 70 2.229 -15.908 12.287 1.00 0.00 H new ATOM 0 HA LEU A 70 3.101 -18.122 13.779 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.159 -16.392 11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.972 -15.897 13.446 1.00 0.00 H new ATOM 0 HG LEU A 70 5.133 -18.695 13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.138 -19.253 11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.425 -18.795 11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.699 -17.641 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.535 -18.306 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.188 -16.631 12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.833 -17.162 14.291 1.00 0.00 H new ATOM 1047 N GLY A 71 2.572 -15.481 15.506 1.00 0.00 N ATOM 1048 CA GLY A 71 2.549 -14.931 16.851 1.00 0.00 C ATOM 1049 C GLY A 71 3.301 -13.601 16.913 1.00 0.00 C ATOM 1050 O GLY A 71 3.721 -13.171 17.986 1.00 0.00 O ATOM 0 H GLY A 71 2.027 -14.957 14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.517 -14.784 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.000 -15.640 17.545 1.00 0.00 H new ATOM 1054 N ARG A 72 3.450 -12.986 15.749 1.00 0.00 N ATOM 1055 CA ARG A 72 4.145 -11.714 15.657 1.00 0.00 C ATOM 1056 C ARG A 72 4.226 -11.257 14.199 1.00 0.00 C ATOM 1057 O ARG A 72 3.249 -10.752 13.648 1.00 0.00 O ATOM 1058 CB ARG A 72 5.559 -11.816 16.232 1.00 0.00 C ATOM 1059 CG ARG A 72 6.389 -12.848 15.466 1.00 0.00 C ATOM 1060 CD ARG A 72 7.196 -12.183 14.349 1.00 0.00 C ATOM 1061 NE ARG A 72 8.393 -11.521 14.915 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.458 -10.217 15.216 1.00 0.00 C ATOM 1063 NH1 ARG A 72 7.396 -9.427 15.008 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.586 -9.703 15.726 1.00 0.00 N ATOM 0 H ARG A 72 3.101 -13.346 14.861 1.00 0.00 H new ATOM 0 HA ARG A 72 3.580 -10.985 16.239 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.047 -10.842 16.182 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.508 -12.094 17.285 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.064 -13.359 16.153 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.731 -13.607 15.042 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.496 -12.928 13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.578 -11.452 13.828 1.00 0.00 H new ATOM 0 HE ARG A 72 9.220 -12.093 15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.537 -9.818 14.620 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.446 -8.434 15.237 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.394 -10.304 15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.636 -8.710 15.955 1.00 0.00 H new TER 1078 ARG A 72