USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 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+ -115:sc= 1.24 (180deg=0.221) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -15:sc= -0.853 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.917 K(o=-0.92,f=-1.8!) USER MOD Single : A 45 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -97:sc= 1.13 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -14:sc= 1.19 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.341 -12.186 24.571 1.00 0.00 N ATOM 2 CA MET A 1 -3.896 -13.495 24.124 1.00 0.00 C ATOM 3 C MET A 1 -5.083 -14.439 23.925 1.00 0.00 C ATOM 4 O MET A 1 -5.769 -14.791 24.884 1.00 0.00 O ATOM 5 CB MET A 1 -2.938 -14.089 25.158 1.00 0.00 C ATOM 6 CG MET A 1 -1.654 -13.263 25.255 1.00 0.00 C ATOM 7 SD MET A 1 -1.901 -11.878 26.354 1.00 0.00 S ATOM 8 CE MET A 1 -0.220 -11.299 26.506 1.00 0.00 C ATOM 0 H1 MET A 1 -4.123 -11.478 23.841 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.367 -12.207 24.738 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.851 -11.936 25.454 1.00 0.00 H new ATOM 0 HA MET A 1 -3.385 -13.378 23.168 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.426 -14.125 26.132 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.694 -15.116 24.885 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.838 -13.886 25.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.366 -12.906 24.266 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.192 -10.430 27.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.401 -12.091 26.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.160 -11.022 25.523 1.00 0.00 H new ATOM 18 N SER A 2 -5.289 -14.824 22.674 1.00 0.00 N ATOM 19 CA SER A 2 -6.381 -15.721 22.337 1.00 0.00 C ATOM 20 C SER A 2 -6.321 -16.084 20.852 1.00 0.00 C ATOM 21 O SER A 2 -5.882 -15.280 20.030 1.00 0.00 O ATOM 22 CB SER A 2 -7.734 -15.093 22.676 1.00 0.00 C ATOM 23 OG SER A 2 -8.697 -16.071 23.058 1.00 0.00 O ATOM 0 H SER A 2 -4.718 -14.531 21.881 1.00 0.00 H new ATOM 0 HA SER A 2 -6.273 -16.629 22.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.607 -14.374 23.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.103 -14.539 21.813 1.00 0.00 H new ATOM 0 HG SER A 2 -9.546 -15.629 23.268 1.00 0.00 H new ATOM 29 N LEU A 3 -6.769 -17.294 20.553 1.00 0.00 N ATOM 30 CA LEU A 3 -6.771 -17.773 19.181 1.00 0.00 C ATOM 31 C LEU A 3 -7.721 -16.912 18.346 1.00 0.00 C ATOM 32 O LEU A 3 -7.488 -16.698 17.157 1.00 0.00 O ATOM 33 CB LEU A 3 -7.097 -19.268 19.136 1.00 0.00 C ATOM 34 CG LEU A 3 -6.065 -20.158 18.440 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.170 -21.604 18.929 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.191 -20.057 16.918 1.00 0.00 C ATOM 0 H LEU A 3 -7.133 -17.957 21.237 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.779 -17.673 18.741 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.223 -19.623 20.159 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.056 -19.396 18.634 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.070 -19.800 18.705 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.426 -22.216 18.419 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.993 -21.638 20.004 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.166 -21.990 18.713 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.446 -20.699 16.448 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.188 -20.375 16.614 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.028 -19.025 16.607 1.00 0.00 H new ATOM 48 N GLY A 4 -8.771 -16.440 19.002 1.00 0.00 N ATOM 49 CA GLY A 4 -9.757 -15.606 18.335 1.00 0.00 C ATOM 50 C GLY A 4 -9.150 -14.264 17.922 1.00 0.00 C ATOM 51 O GLY A 4 -9.259 -13.859 16.765 1.00 0.00 O ATOM 0 H GLY A 4 -8.961 -16.619 19.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.140 -16.122 17.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.605 -15.437 18.999 1.00 0.00 H new ATOM 55 N VAL A 5 -8.524 -13.611 18.890 1.00 0.00 N ATOM 56 CA VAL A 5 -7.900 -12.322 18.641 1.00 0.00 C ATOM 57 C VAL A 5 -6.823 -12.481 17.566 1.00 0.00 C ATOM 58 O VAL A 5 -6.506 -11.529 16.855 1.00 0.00 O ATOM 59 CB VAL A 5 -7.358 -11.742 19.949 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.137 -12.526 20.432 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.030 -10.256 19.795 1.00 0.00 C ATOM 0 H VAL A 5 -8.435 -13.950 19.848 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.633 -11.609 18.264 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.137 -11.836 20.706 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.772 -12.093 21.363 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.416 -13.566 20.600 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.352 -12.478 19.677 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.647 -9.868 20.739 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.277 -10.128 19.018 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.933 -9.711 19.519 1.00 0.00 H new ATOM 71 N LEU A 6 -6.291 -13.691 17.481 1.00 0.00 N ATOM 72 CA LEU A 6 -5.256 -13.987 16.505 1.00 0.00 C ATOM 73 C LEU A 6 -5.838 -13.857 15.096 1.00 0.00 C ATOM 74 O LEU A 6 -5.279 -13.160 14.251 1.00 0.00 O ATOM 75 CB LEU A 6 -4.628 -15.353 16.787 1.00 0.00 C ATOM 76 CG LEU A 6 -3.423 -15.729 15.923 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.901 -17.121 16.284 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.757 -15.611 14.435 1.00 0.00 C ATOM 0 H LEU A 6 -6.557 -14.478 18.072 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.442 -13.266 16.582 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.323 -15.381 17.833 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.395 -16.117 16.658 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.621 -15.021 16.131 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.045 -17.363 15.655 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.598 -17.136 17.331 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.688 -17.858 16.124 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.883 -15.884 13.843 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.583 -16.280 14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.044 -14.584 14.207 1.00 0.00 H new ATOM 90 N ALA A 7 -6.955 -14.540 14.887 1.00 0.00 N ATOM 91 CA ALA A 7 -7.619 -14.509 13.595 1.00 0.00 C ATOM 92 C ALA A 7 -7.934 -13.059 13.222 1.00 0.00 C ATOM 93 O ALA A 7 -7.939 -12.704 12.044 1.00 0.00 O ATOM 94 CB ALA A 7 -8.872 -15.385 13.644 1.00 0.00 C ATOM 0 H ALA A 7 -7.416 -15.117 15.590 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.969 -14.914 12.820 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.370 -15.362 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.590 -16.410 13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.550 -15.008 14.410 1.00 0.00 H new ATOM 100 N ALA A 8 -8.190 -12.261 14.248 1.00 0.00 N ATOM 101 CA ALA A 8 -8.506 -10.857 14.043 1.00 0.00 C ATOM 102 C ALA A 8 -7.258 -10.125 13.547 1.00 0.00 C ATOM 103 O ALA A 8 -7.359 -9.157 12.795 1.00 0.00 O ATOM 104 CB ALA A 8 -9.054 -10.263 15.342 1.00 0.00 C ATOM 0 H ALA A 8 -8.185 -12.559 15.223 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.278 -10.744 13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.291 -9.210 15.189 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.956 -10.799 15.635 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.305 -10.356 16.129 1.00 0.00 H new ATOM 110 N ALA A 9 -6.109 -10.615 13.989 1.00 0.00 N ATOM 111 CA ALA A 9 -4.842 -10.019 13.600 1.00 0.00 C ATOM 112 C ALA A 9 -4.557 -10.351 12.133 1.00 0.00 C ATOM 113 O ALA A 9 -3.889 -9.586 11.439 1.00 0.00 O ATOM 114 CB ALA A 9 -3.736 -10.513 14.535 1.00 0.00 C ATOM 0 H ALA A 9 -6.029 -11.418 14.613 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.884 -8.934 13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.786 -10.066 14.243 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.972 -10.227 15.560 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.662 -11.598 14.469 1.00 0.00 H new ATOM 120 N ILE A 10 -5.077 -11.491 11.705 1.00 0.00 N ATOM 121 CA ILE A 10 -4.887 -11.933 10.334 1.00 0.00 C ATOM 122 C ILE A 10 -5.853 -11.176 9.420 1.00 0.00 C ATOM 123 O ILE A 10 -5.444 -10.630 8.397 1.00 0.00 O ATOM 124 CB ILE A 10 -5.016 -13.455 10.239 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.654 -14.132 10.410 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.701 -13.866 8.934 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.666 -15.095 11.599 1.00 0.00 C ATOM 0 H ILE A 10 -5.630 -12.123 12.284 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.878 -11.700 9.995 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.650 -13.797 11.057 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.397 -14.675 9.500 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.884 -13.375 10.558 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.780 -14.952 8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.698 -13.427 8.893 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.113 -13.512 8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.686 -15.563 11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.900 -14.545 12.510 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.421 -15.865 11.436 1.00 0.00 H new ATOM 139 N ALA A 11 -7.115 -11.167 9.824 1.00 0.00 N ATOM 140 CA ALA A 11 -8.142 -10.486 9.053 1.00 0.00 C ATOM 141 C ALA A 11 -7.784 -9.004 8.933 1.00 0.00 C ATOM 142 O ALA A 11 -8.242 -8.323 8.017 1.00 0.00 O ATOM 143 CB ALA A 11 -9.504 -10.705 9.713 1.00 0.00 C ATOM 0 H ALA A 11 -7.450 -11.620 10.674 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.199 -10.894 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.275 -10.195 9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.724 -11.772 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.486 -10.305 10.727 1.00 0.00 H new ATOM 149 N VAL A 12 -6.968 -8.547 9.872 1.00 0.00 N ATOM 150 CA VAL A 12 -6.543 -7.157 9.883 1.00 0.00 C ATOM 151 C VAL A 12 -5.451 -6.954 8.831 1.00 0.00 C ATOM 152 O VAL A 12 -5.479 -5.978 8.083 1.00 0.00 O ATOM 153 CB VAL A 12 -6.098 -6.757 11.291 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.872 -5.843 11.240 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.244 -6.096 12.061 1.00 0.00 C ATOM 0 H VAL A 12 -6.590 -9.115 10.630 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.373 -6.502 9.621 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.816 -7.665 11.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.577 -5.574 12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.050 -6.364 10.749 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.115 -4.939 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.901 -5.821 13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.571 -5.202 11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.077 -6.794 12.143 1.00 0.00 H new ATOM 165 N GLY A 13 -4.515 -7.891 8.807 1.00 0.00 N ATOM 166 CA GLY A 13 -3.416 -7.827 7.859 1.00 0.00 C ATOM 167 C GLY A 13 -3.915 -8.030 6.427 1.00 0.00 C ATOM 168 O GLY A 13 -3.362 -7.460 5.487 1.00 0.00 O ATOM 0 H GLY A 13 -4.495 -8.699 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.916 -6.862 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.677 -8.590 8.102 1.00 0.00 H new ATOM 172 N LEU A 14 -4.953 -8.843 6.306 1.00 0.00 N ATOM 173 CA LEU A 14 -5.533 -9.128 5.004 1.00 0.00 C ATOM 174 C LEU A 14 -6.405 -7.948 4.569 1.00 0.00 C ATOM 175 O LEU A 14 -6.457 -7.614 3.387 1.00 0.00 O ATOM 176 CB LEU A 14 -6.276 -10.465 5.030 1.00 0.00 C ATOM 177 CG LEU A 14 -7.476 -10.584 4.088 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.034 -10.511 2.625 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.281 -11.851 4.382 1.00 0.00 C ATOM 0 H LEU A 14 -5.408 -9.314 7.088 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.750 -9.239 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.568 -11.257 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.619 -10.648 6.048 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.136 -9.735 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.906 -10.598 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.539 -9.557 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.342 -11.326 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.128 -11.911 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.644 -12.726 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.645 -11.821 5.409 1.00 0.00 H new ATOM 191 N GLY A 15 -7.067 -7.350 5.549 1.00 0.00 N ATOM 192 CA GLY A 15 -7.933 -6.215 5.282 1.00 0.00 C ATOM 193 C GLY A 15 -7.115 -4.977 4.910 1.00 0.00 C ATOM 194 O GLY A 15 -7.438 -4.282 3.947 1.00 0.00 O ATOM 0 H GLY A 15 -7.021 -7.630 6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.619 -6.459 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.542 -6.003 6.161 1.00 0.00 H new ATOM 198 N ALA A 16 -6.073 -4.738 5.692 1.00 0.00 N ATOM 199 CA ALA A 16 -5.207 -3.595 5.456 1.00 0.00 C ATOM 200 C ALA A 16 -4.304 -3.884 4.255 1.00 0.00 C ATOM 201 O ALA A 16 -3.724 -2.968 3.675 1.00 0.00 O ATOM 202 CB ALA A 16 -4.409 -3.289 6.725 1.00 0.00 C ATOM 0 H ALA A 16 -5.809 -5.316 6.490 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.796 -2.709 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.759 -2.432 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.096 -3.062 7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.803 -4.155 6.991 1.00 0.00 H new ATOM 208 N LEU A 17 -4.213 -5.163 3.918 1.00 0.00 N ATOM 209 CA LEU A 17 -3.391 -5.584 2.796 1.00 0.00 C ATOM 210 C LEU A 17 -4.032 -5.106 1.492 1.00 0.00 C ATOM 211 O LEU A 17 -3.416 -4.362 0.730 1.00 0.00 O ATOM 212 CB LEU A 17 -3.150 -7.094 2.846 1.00 0.00 C ATOM 213 CG LEU A 17 -2.797 -7.761 1.515 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.487 -8.543 1.624 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.949 -8.639 1.019 1.00 0.00 C ATOM 0 H LEU A 17 -4.695 -5.921 4.402 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.404 -5.125 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.344 -7.290 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.046 -7.572 3.243 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.644 -6.979 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.259 -9.007 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.680 -7.864 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.587 -9.316 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.672 -9.101 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.157 -9.416 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.839 -8.026 0.877 1.00 0.00 H new ATOM 227 N GLY A 18 -5.260 -5.553 1.274 1.00 0.00 N ATOM 228 CA GLY A 18 -5.990 -5.180 0.075 1.00 0.00 C ATOM 229 C GLY A 18 -6.511 -3.745 0.174 1.00 0.00 C ATOM 230 O GLY A 18 -6.399 -2.973 -0.778 1.00 0.00 O ATOM 0 H GLY A 18 -5.768 -6.170 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.340 -5.275 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.825 -5.864 -0.074 1.00 0.00 H new ATOM 234 N ALA A 19 -7.069 -3.430 1.334 1.00 0.00 N ATOM 235 CA ALA A 19 -7.607 -2.101 1.569 1.00 0.00 C ATOM 236 C ALA A 19 -6.477 -1.073 1.473 1.00 0.00 C ATOM 237 O ALA A 19 -6.663 0.008 0.918 1.00 0.00 O ATOM 238 CB ALA A 19 -8.310 -2.068 2.928 1.00 0.00 C ATOM 0 H ALA A 19 -7.160 -4.072 2.121 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.348 -1.848 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.714 -1.071 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.122 -2.795 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.595 -2.314 3.713 1.00 0.00 H new ATOM 244 N GLY A 20 -5.331 -1.448 2.021 1.00 0.00 N ATOM 245 CA GLY A 20 -4.171 -0.573 2.004 1.00 0.00 C ATOM 246 C GLY A 20 -3.792 -0.193 0.571 1.00 0.00 C ATOM 247 O GLY A 20 -3.628 0.986 0.260 1.00 0.00 O ATOM 0 H GLY A 20 -5.181 -2.346 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.382 0.328 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.329 -1.069 2.487 1.00 0.00 H new ATOM 251 N ILE A 21 -3.664 -1.214 -0.263 1.00 0.00 N ATOM 252 CA ILE A 21 -3.308 -1.002 -1.656 1.00 0.00 C ATOM 253 C ILE A 21 -4.340 -0.081 -2.308 1.00 0.00 C ATOM 254 O ILE A 21 -4.021 0.654 -3.241 1.00 0.00 O ATOM 255 CB ILE A 21 -3.137 -2.342 -2.375 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.838 -2.369 -3.183 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.358 -2.658 -3.242 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.056 -1.809 -4.590 1.00 0.00 C ATOM 0 H ILE A 21 -3.800 -2.190 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.343 -0.501 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.064 -3.127 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.074 -1.785 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.467 -3.392 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.211 -3.615 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.247 -2.709 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.487 -1.875 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.117 -1.840 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.803 -2.410 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.403 -0.778 -4.522 1.00 0.00 H new ATOM 270 N GLY A 22 -5.558 -0.151 -1.791 1.00 0.00 N ATOM 271 CA GLY A 22 -6.640 0.668 -2.311 1.00 0.00 C ATOM 272 C GLY A 22 -6.417 2.145 -1.983 1.00 0.00 C ATOM 273 O GLY A 22 -6.793 3.022 -2.760 1.00 0.00 O ATOM 0 H GLY A 22 -5.820 -0.762 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.712 0.539 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.588 0.337 -1.887 1.00 0.00 H new ATOM 277 N ASN A 23 -5.805 2.376 -0.831 1.00 0.00 N ATOM 278 CA ASN A 23 -5.527 3.733 -0.390 1.00 0.00 C ATOM 279 C ASN A 23 -4.286 4.256 -1.117 1.00 0.00 C ATOM 280 O ASN A 23 -4.104 5.466 -1.249 1.00 0.00 O ATOM 281 CB ASN A 23 -5.247 3.777 1.113 1.00 0.00 C ATOM 282 CG ASN A 23 -5.643 5.131 1.705 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.805 5.417 1.944 1.00 0.00 O ATOM 284 ND2 ASN A 23 -4.616 5.945 1.929 1.00 0.00 N ATOM 0 H ASN A 23 -5.494 1.647 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.401 4.346 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.800 2.982 1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.188 3.592 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.776 6.872 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.668 5.643 1.706 1.00 0.00 H new ATOM 291 N GLY A 24 -3.466 3.320 -1.570 1.00 0.00 N ATOM 292 CA GLY A 24 -2.248 3.671 -2.281 1.00 0.00 C ATOM 293 C GLY A 24 -2.548 4.031 -3.737 1.00 0.00 C ATOM 294 O GLY A 24 -1.878 4.883 -4.320 1.00 0.00 O ATOM 0 H GLY A 24 -3.621 2.318 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.764 4.513 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.548 2.836 -2.246 1.00 0.00 H new ATOM 298 N LEU A 25 -3.554 3.364 -4.283 1.00 0.00 N ATOM 299 CA LEU A 25 -3.950 3.603 -5.660 1.00 0.00 C ATOM 300 C LEU A 25 -4.705 4.931 -5.747 1.00 0.00 C ATOM 301 O LEU A 25 -4.590 5.651 -6.737 1.00 0.00 O ATOM 302 CB LEU A 25 -4.739 2.411 -6.205 1.00 0.00 C ATOM 303 CG LEU A 25 -4.033 1.055 -6.144 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.038 -0.077 -5.922 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.178 0.825 -7.392 1.00 0.00 C ATOM 0 H LEU A 25 -4.107 2.658 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.071 3.693 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.675 2.336 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.999 2.617 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.359 1.060 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.510 -1.030 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.566 0.084 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.755 -0.093 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.687 -0.146 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.813 0.848 -8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.424 1.608 -7.466 1.00 0.00 H new ATOM 317 N ILE A 26 -5.461 5.215 -4.696 1.00 0.00 N ATOM 318 CA ILE A 26 -6.234 6.443 -4.640 1.00 0.00 C ATOM 319 C ILE A 26 -5.283 7.634 -4.506 1.00 0.00 C ATOM 320 O ILE A 26 -5.422 8.627 -5.218 1.00 0.00 O ATOM 321 CB ILE A 26 -7.284 6.366 -3.530 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.475 5.507 -3.960 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.717 7.765 -3.086 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.148 6.086 -5.206 1.00 0.00 C ATOM 0 H ILE A 26 -5.554 4.615 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.793 6.583 -5.565 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.832 5.880 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.140 4.490 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.198 5.448 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.464 7.681 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.852 8.312 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.144 8.300 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.991 5.456 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.504 7.094 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.429 6.121 -6.025 1.00 0.00 H new ATOM 336 N VAL A 27 -4.339 7.495 -3.587 1.00 0.00 N ATOM 337 CA VAL A 27 -3.365 8.547 -3.350 1.00 0.00 C ATOM 338 C VAL A 27 -2.469 8.694 -4.581 1.00 0.00 C ATOM 339 O VAL A 27 -2.133 9.808 -4.980 1.00 0.00 O ATOM 340 CB VAL A 27 -2.579 8.254 -2.070 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.773 6.960 -2.206 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.671 9.430 -1.703 1.00 0.00 C ATOM 0 H VAL A 27 -4.228 6.670 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.866 9.503 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.296 8.119 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.224 6.775 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.450 6.128 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.070 7.054 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.124 9.196 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.965 9.611 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.277 10.322 -1.544 1.00 0.00 H new ATOM 352 N SER A 28 -2.107 7.553 -5.150 1.00 0.00 N ATOM 353 CA SER A 28 -1.257 7.540 -6.328 1.00 0.00 C ATOM 354 C SER A 28 -1.990 8.178 -7.509 1.00 0.00 C ATOM 355 O SER A 28 -1.363 8.760 -8.393 1.00 0.00 O ATOM 356 CB SER A 28 -0.822 6.116 -6.678 1.00 0.00 C ATOM 357 OG SER A 28 -1.911 5.327 -7.149 1.00 0.00 O ATOM 0 H SER A 28 -2.387 6.631 -4.816 1.00 0.00 H new ATOM 0 HA SER A 28 -0.361 8.120 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.043 6.151 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.385 5.643 -5.798 1.00 0.00 H new ATOM 0 HG SER A 28 -2.756 5.775 -6.935 1.00 0.00 H new ATOM 363 N ARG A 29 -3.308 8.046 -7.487 1.00 0.00 N ATOM 364 CA ARG A 29 -4.134 8.602 -8.546 1.00 0.00 C ATOM 365 C ARG A 29 -4.100 10.131 -8.498 1.00 0.00 C ATOM 366 O ARG A 29 -4.071 10.788 -9.537 1.00 0.00 O ATOM 367 CB ARG A 29 -5.582 8.126 -8.422 1.00 0.00 C ATOM 368 CG ARG A 29 -6.112 7.627 -9.768 1.00 0.00 C ATOM 369 CD ARG A 29 -6.711 8.776 -10.582 1.00 0.00 C ATOM 370 NE ARG A 29 -8.139 8.507 -10.863 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.886 9.228 -11.709 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.346 10.265 -12.363 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.174 8.912 -11.902 1.00 0.00 N ATOM 0 H ARG A 29 -3.825 7.562 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.731 8.256 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.644 7.326 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.207 8.942 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.303 7.161 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.869 6.860 -9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.610 9.712 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.164 8.894 -11.517 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.582 7.724 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.366 10.506 -12.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.915 10.814 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.585 8.122 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.743 9.461 -12.546 1.00 0.00 H new ATOM 387 N THR A 30 -4.105 10.653 -7.280 1.00 0.00 N ATOM 388 CA THR A 30 -4.076 12.092 -7.082 1.00 0.00 C ATOM 389 C THR A 30 -2.680 12.643 -7.379 1.00 0.00 C ATOM 390 O THR A 30 -2.528 13.823 -7.693 1.00 0.00 O ATOM 391 CB THR A 30 -4.554 12.384 -5.659 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.100 13.698 -5.738 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.396 12.521 -4.668 1.00 0.00 C ATOM 0 H THR A 30 -4.129 10.105 -6.420 1.00 0.00 H new ATOM 0 HA THR A 30 -4.746 12.600 -7.776 1.00 0.00 H new ATOM 0 HB THR A 30 -5.221 11.587 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.435 13.966 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.791 12.728 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.824 11.593 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.747 13.340 -4.978 1.00 0.00 H new ATOM 401 N ILE A 31 -1.696 11.763 -7.270 1.00 0.00 N ATOM 402 CA ILE A 31 -0.317 12.146 -7.523 1.00 0.00 C ATOM 403 C ILE A 31 -0.126 12.385 -9.022 1.00 0.00 C ATOM 404 O ILE A 31 0.499 13.366 -9.423 1.00 0.00 O ATOM 405 CB ILE A 31 0.643 11.109 -6.938 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.677 11.772 -6.026 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.301 10.284 -8.047 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.095 12.033 -4.636 1.00 0.00 C ATOM 0 H ILE A 31 -1.826 10.785 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.083 13.083 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 31 0.067 10.419 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.556 11.133 -5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.008 12.712 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.979 9.554 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.532 9.765 -8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.861 10.945 -8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.851 12.505 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.231 12.692 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.788 11.088 -4.187 1.00 0.00 H new ATOM 420 N GLU A 32 -0.674 11.471 -9.810 1.00 0.00 N ATOM 421 CA GLU A 32 -0.572 11.571 -11.256 1.00 0.00 C ATOM 422 C GLU A 32 -1.435 12.724 -11.771 1.00 0.00 C ATOM 423 O GLU A 32 -1.160 13.285 -12.830 1.00 0.00 O ATOM 424 CB GLU A 32 -0.963 10.251 -11.925 1.00 0.00 C ATOM 425 CG GLU A 32 -2.484 10.110 -12.012 1.00 0.00 C ATOM 426 CD GLU A 32 -2.963 10.223 -13.460 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.421 11.097 -14.171 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.860 9.433 -13.824 1.00 0.00 O ATOM 0 H GLU A 32 -1.190 10.658 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 32 0.467 11.778 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.532 10.204 -12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.548 9.416 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.788 9.148 -11.599 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.960 10.882 -11.407 1.00 0.00 H new ATOM 435 N GLY A 33 -2.463 13.043 -10.998 1.00 0.00 N ATOM 436 CA GLY A 33 -3.369 14.119 -11.363 1.00 0.00 C ATOM 437 C GLY A 33 -2.661 15.474 -11.307 1.00 0.00 C ATOM 438 O GLY A 33 -2.882 16.330 -12.162 1.00 0.00 O ATOM 0 H GLY A 33 -2.689 12.575 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.756 13.948 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.225 14.124 -10.688 1.00 0.00 H new ATOM 442 N ILE A 34 -1.823 15.626 -10.292 1.00 0.00 N ATOM 443 CA ILE A 34 -1.081 16.863 -10.113 1.00 0.00 C ATOM 444 C ILE A 34 0.190 16.818 -10.964 1.00 0.00 C ATOM 445 O ILE A 34 0.641 17.846 -11.467 1.00 0.00 O ATOM 446 CB ILE A 34 -0.818 17.120 -8.628 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.233 16.152 -8.082 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.119 17.068 -7.824 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.469 16.906 -7.587 1.00 0.00 C ATOM 0 H ILE A 34 -1.641 14.913 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.668 17.713 -10.461 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.414 18.127 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.193 15.570 -7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.521 15.446 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.904 17.254 -6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.806 17.829 -8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.575 16.084 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.200 16.194 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.907 17.468 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.181 17.594 -6.792 1.00 0.00 H new ATOM 461 N ALA A 35 0.731 15.616 -11.098 1.00 0.00 N ATOM 462 CA ALA A 35 1.941 15.424 -11.879 1.00 0.00 C ATOM 463 C ALA A 35 1.636 15.680 -13.357 1.00 0.00 C ATOM 464 O ALA A 35 2.548 15.762 -14.178 1.00 0.00 O ATOM 465 CB ALA A 35 2.490 14.017 -11.633 1.00 0.00 C ATOM 0 H ALA A 35 0.354 14.766 -10.679 1.00 0.00 H new ATOM 0 HA ALA A 35 2.711 16.133 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.398 13.873 -12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.719 13.896 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.745 13.279 -11.930 1.00 0.00 H new ATOM 471 N ARG A 36 0.349 15.799 -13.650 1.00 0.00 N ATOM 472 CA ARG A 36 -0.088 16.044 -15.014 1.00 0.00 C ATOM 473 C ARG A 36 0.393 17.417 -15.486 1.00 0.00 C ATOM 474 O ARG A 36 0.899 17.552 -16.599 1.00 0.00 O ATOM 475 CB ARG A 36 -1.613 15.981 -15.123 1.00 0.00 C ATOM 476 CG ARG A 36 -2.077 14.571 -15.493 1.00 0.00 C ATOM 477 CD ARG A 36 -3.503 14.316 -15.001 1.00 0.00 C ATOM 478 NE ARG A 36 -4.442 14.318 -16.145 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.775 14.393 -16.023 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.333 14.472 -14.808 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.549 14.388 -17.117 1.00 0.00 N ATOM 0 H ARG A 36 -0.405 15.730 -12.966 1.00 0.00 H new ATOM 0 HA ARG A 36 0.343 15.267 -15.645 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.062 16.279 -14.175 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.957 16.690 -15.875 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.033 14.442 -16.574 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.401 13.836 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.552 13.359 -14.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.791 15.083 -14.282 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.051 14.259 -17.085 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.744 14.475 -13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.347 14.529 -14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.124 14.327 -18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.563 14.445 -17.024 1.00 0.00 H new ATOM 495 N GLN A 37 0.218 18.402 -14.617 1.00 0.00 N ATOM 496 CA GLN A 37 0.629 19.760 -14.932 1.00 0.00 C ATOM 497 C GLN A 37 1.971 19.752 -15.667 1.00 0.00 C ATOM 498 O GLN A 37 2.702 18.764 -15.620 1.00 0.00 O ATOM 499 CB GLN A 37 0.701 20.618 -13.668 1.00 0.00 C ATOM 500 CG GLN A 37 -0.606 21.382 -13.448 1.00 0.00 C ATOM 501 CD GLN A 37 -0.367 22.893 -13.463 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.488 23.556 -14.480 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.023 23.399 -12.282 1.00 0.00 N ATOM 0 H GLN A 37 -0.203 18.287 -13.695 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.120 20.202 -15.589 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.905 19.984 -12.805 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.529 21.322 -13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.322 21.116 -14.225 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.046 21.089 -12.495 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.060 22.787 -11.470 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.157 24.399 -12.188 1.00 0.00 H new ATOM 512 N PRO A 38 2.261 20.894 -16.346 1.00 0.00 N ATOM 513 CA PRO A 38 3.502 21.028 -17.090 1.00 0.00 C ATOM 514 C PRO A 38 4.686 21.247 -16.146 1.00 0.00 C ATOM 515 O PRO A 38 5.765 20.697 -16.360 1.00 0.00 O ATOM 516 CB PRO A 38 3.270 22.196 -18.035 1.00 0.00 C ATOM 517 CG PRO A 38 2.089 22.964 -17.466 1.00 0.00 C ATOM 518 CD PRO A 38 1.418 22.084 -16.424 1.00 0.00 C ATOM 0 HA PRO A 38 3.758 20.127 -17.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.155 22.830 -18.097 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.058 21.845 -19.045 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.423 23.900 -17.017 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.385 23.223 -18.257 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.355 22.589 -15.460 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.399 21.829 -16.717 1.00 0.00 H new ATOM 526 N GLU A 39 4.444 22.053 -15.123 1.00 0.00 N ATOM 527 CA GLU A 39 5.476 22.353 -14.146 1.00 0.00 C ATOM 528 C GLU A 39 5.738 21.134 -13.259 1.00 0.00 C ATOM 529 O GLU A 39 6.621 21.161 -12.404 1.00 0.00 O ATOM 530 CB GLU A 39 5.097 23.572 -13.304 1.00 0.00 C ATOM 531 CG GLU A 39 6.345 24.326 -12.837 1.00 0.00 C ATOM 532 CD GLU A 39 5.974 25.462 -11.882 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.374 26.443 -12.372 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.298 25.324 -10.683 1.00 0.00 O ATOM 0 H GLU A 39 3.548 22.508 -14.950 1.00 0.00 H new ATOM 0 HA GLU A 39 6.395 22.594 -14.680 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.462 24.239 -13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.515 23.254 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.026 23.636 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.874 24.730 -13.700 1.00 0.00 H new ATOM 541 N LEU A 40 4.952 20.092 -13.493 1.00 0.00 N ATOM 542 CA LEU A 40 5.087 18.866 -12.726 1.00 0.00 C ATOM 543 C LEU A 40 5.404 17.708 -13.675 1.00 0.00 C ATOM 544 O LEU A 40 4.973 16.579 -13.448 1.00 0.00 O ATOM 545 CB LEU A 40 3.845 18.633 -11.865 1.00 0.00 C ATOM 546 CG LEU A 40 3.599 19.653 -10.751 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.698 20.790 -11.238 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.040 18.975 -9.499 1.00 0.00 C ATOM 0 H LEU A 40 4.220 20.073 -14.203 1.00 0.00 H new ATOM 0 HA LEU A 40 5.920 18.944 -12.028 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.972 18.620 -12.518 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.920 17.644 -11.414 1.00 0.00 H new ATOM 0 HG LEU A 40 4.556 20.096 -10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.539 21.501 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.174 21.297 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.739 20.383 -11.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.875 19.723 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.095 18.487 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.751 18.231 -9.140 1.00 0.00 H new ATOM 560 N ARG A 41 6.154 18.029 -14.719 1.00 0.00 N ATOM 561 CA ARG A 41 6.532 17.030 -15.704 1.00 0.00 C ATOM 562 C ARG A 41 7.351 15.919 -15.044 1.00 0.00 C ATOM 563 O ARG A 41 7.165 14.741 -15.349 1.00 0.00 O ATOM 564 CB ARG A 41 7.352 17.655 -16.835 1.00 0.00 C ATOM 565 CG ARG A 41 7.038 16.984 -18.174 1.00 0.00 C ATOM 566 CD ARG A 41 7.471 15.516 -18.167 1.00 0.00 C ATOM 567 NE ARG A 41 8.208 15.200 -19.411 1.00 0.00 N ATOM 568 CZ ARG A 41 8.353 13.963 -19.905 1.00 0.00 C ATOM 569 NH1 ARG A 41 7.814 12.918 -19.262 1.00 0.00 N ATOM 570 NH2 ARG A 41 9.038 13.770 -21.040 1.00 0.00 N ATOM 0 H ARG A 41 6.510 18.967 -14.904 1.00 0.00 H new ATOM 0 HA ARG A 41 5.616 16.612 -16.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.136 18.722 -16.899 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.415 17.557 -16.615 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.969 17.051 -18.376 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.548 17.513 -18.979 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.102 15.319 -17.300 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.597 14.871 -18.078 1.00 0.00 H new ATOM 0 HE ARG A 41 8.632 15.972 -19.925 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.294 13.065 -18.397 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.924 11.976 -19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.450 14.565 -21.529 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.148 12.828 -21.415 1.00 0.00 H new ATOM 584 N PRO A 42 8.264 16.343 -14.129 1.00 0.00 N ATOM 585 CA PRO A 42 9.112 15.396 -13.424 1.00 0.00 C ATOM 586 C PRO A 42 8.323 14.653 -12.344 1.00 0.00 C ATOM 587 O PRO A 42 8.750 13.600 -11.873 1.00 0.00 O ATOM 588 CB PRO A 42 10.249 16.232 -12.860 1.00 0.00 C ATOM 589 CG PRO A 42 9.755 17.670 -12.872 1.00 0.00 C ATOM 590 CD PRO A 42 8.512 17.729 -13.743 1.00 0.00 C ATOM 0 HA PRO A 42 9.497 14.610 -14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.503 15.915 -11.849 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.150 16.124 -13.464 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.528 18.004 -11.860 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.526 18.335 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.665 18.146 -13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.670 18.361 -14.617 1.00 0.00 H new ATOM 598 N VAL A 43 7.186 15.230 -11.984 1.00 0.00 N ATOM 599 CA VAL A 43 6.334 14.635 -10.968 1.00 0.00 C ATOM 600 C VAL A 43 5.815 13.286 -11.470 1.00 0.00 C ATOM 601 O VAL A 43 5.512 12.399 -10.674 1.00 0.00 O ATOM 602 CB VAL A 43 5.212 15.605 -10.592 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.271 14.981 -9.560 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.781 16.931 -10.085 1.00 0.00 C ATOM 0 H VAL A 43 6.835 16.103 -12.378 1.00 0.00 H new ATOM 0 HA VAL A 43 6.901 14.446 -10.057 1.00 0.00 H new ATOM 0 HB VAL A 43 4.632 15.812 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.483 15.691 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.826 14.076 -9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.833 14.731 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.963 17.602 -9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.396 16.750 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.390 17.387 -10.865 1.00 0.00 H new ATOM 614 N LEU A 44 5.730 13.174 -12.787 1.00 0.00 N ATOM 615 CA LEU A 44 5.253 11.948 -13.405 1.00 0.00 C ATOM 616 C LEU A 44 6.050 10.763 -12.857 1.00 0.00 C ATOM 617 O LEU A 44 5.480 9.717 -12.548 1.00 0.00 O ATOM 618 CB LEU A 44 5.295 12.065 -14.930 1.00 0.00 C ATOM 619 CG LEU A 44 3.950 12.296 -15.622 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.147 12.659 -17.095 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.029 11.088 -15.448 1.00 0.00 C ATOM 0 H LEU A 44 5.983 13.912 -13.444 1.00 0.00 H new ATOM 0 HA LEU A 44 4.207 11.775 -13.151 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.962 12.886 -15.193 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.736 11.153 -15.333 1.00 0.00 H new ATOM 0 HG LEU A 44 3.461 13.145 -15.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.176 12.818 -17.564 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.739 13.571 -17.169 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.667 11.847 -17.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.080 11.279 -15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.499 10.206 -15.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.850 10.917 -14.386 1.00 0.00 H new ATOM 633 N GLN A 45 7.355 10.965 -12.753 1.00 0.00 N ATOM 634 CA GLN A 45 8.236 9.926 -12.247 1.00 0.00 C ATOM 635 C GLN A 45 7.947 9.659 -10.768 1.00 0.00 C ATOM 636 O GLN A 45 8.019 8.518 -10.315 1.00 0.00 O ATOM 637 CB GLN A 45 9.704 10.300 -12.460 1.00 0.00 C ATOM 638 CG GLN A 45 10.631 9.202 -11.935 1.00 0.00 C ATOM 639 CD GLN A 45 11.912 9.122 -12.768 1.00 0.00 C ATOM 640 OE1 GLN A 45 11.912 9.307 -13.974 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.001 8.837 -12.059 1.00 0.00 N ATOM 0 H GLN A 45 7.824 11.833 -13.011 1.00 0.00 H new ATOM 0 HA GLN A 45 8.044 9.010 -12.806 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.891 10.462 -13.521 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.921 11.239 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.882 9.400 -10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.115 8.242 -11.961 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.931 8.694 -11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.906 8.762 -12.523 1.00 0.00 H new ATOM 650 N THR A 46 7.626 10.730 -10.058 1.00 0.00 N ATOM 651 CA THR A 46 7.326 10.626 -8.640 1.00 0.00 C ATOM 652 C THR A 46 6.130 9.699 -8.415 1.00 0.00 C ATOM 653 O THR A 46 6.018 9.069 -7.364 1.00 0.00 O ATOM 654 CB THR A 46 7.110 12.040 -8.097 1.00 0.00 C ATOM 655 OG1 THR A 46 7.813 12.046 -6.857 1.00 0.00 O ATOM 656 CG2 THR A 46 5.655 12.299 -7.702 1.00 0.00 C ATOM 0 H THR A 46 7.567 11.675 -10.438 1.00 0.00 H new ATOM 0 HA THR A 46 8.154 10.176 -8.092 1.00 0.00 H new ATOM 0 HB THR A 46 7.417 12.768 -8.847 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.727 12.927 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.556 13.316 -7.323 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.013 12.173 -8.574 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.357 11.593 -6.927 1.00 0.00 H new ATOM 664 N THR A 47 5.267 9.645 -9.418 1.00 0.00 N ATOM 665 CA THR A 47 4.083 8.806 -9.343 1.00 0.00 C ATOM 666 C THR A 47 4.450 7.342 -9.591 1.00 0.00 C ATOM 667 O THR A 47 3.816 6.439 -9.048 1.00 0.00 O ATOM 668 CB THR A 47 3.053 9.351 -10.335 1.00 0.00 C ATOM 669 OG1 THR A 47 3.387 8.714 -11.566 1.00 0.00 O ATOM 670 CG2 THR A 47 3.248 10.841 -10.622 1.00 0.00 C ATOM 0 H THR A 47 5.364 10.169 -10.288 1.00 0.00 H new ATOM 0 HA THR A 47 3.642 8.833 -8.347 1.00 0.00 H new ATOM 0 HB THR A 47 2.049 9.185 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.943 9.315 -12.105 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.492 11.177 -11.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.152 11.406 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.239 11.003 -11.045 1.00 0.00 H new ATOM 678 N MET A 48 5.473 7.153 -10.411 1.00 0.00 N ATOM 679 CA MET A 48 5.933 5.813 -10.737 1.00 0.00 C ATOM 680 C MET A 48 6.489 5.108 -9.499 1.00 0.00 C ATOM 681 O MET A 48 6.247 3.919 -9.297 1.00 0.00 O ATOM 682 CB MET A 48 7.020 5.894 -11.811 1.00 0.00 C ATOM 683 CG MET A 48 6.407 5.916 -13.212 1.00 0.00 C ATOM 684 SD MET A 48 7.679 6.198 -14.432 1.00 0.00 S ATOM 685 CE MET A 48 6.840 5.617 -15.896 1.00 0.00 C ATOM 0 H MET A 48 5.997 7.905 -10.860 1.00 0.00 H new ATOM 0 HA MET A 48 5.085 5.238 -11.109 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.620 6.791 -11.659 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.692 5.041 -11.718 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.903 4.970 -13.412 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.652 6.699 -13.275 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.498 5.723 -16.759 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.573 4.568 -15.770 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.936 6.205 -16.055 1.00 0.00 H new ATOM 695 N PHE A 49 7.224 5.870 -8.703 1.00 0.00 N ATOM 696 CA PHE A 49 7.817 5.333 -7.490 1.00 0.00 C ATOM 697 C PHE A 49 6.763 5.163 -6.394 1.00 0.00 C ATOM 698 O PHE A 49 6.855 4.250 -5.575 1.00 0.00 O ATOM 699 CB PHE A 49 8.866 6.342 -7.020 1.00 0.00 C ATOM 700 CG PHE A 49 9.844 5.785 -5.983 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.972 5.141 -6.389 1.00 0.00 C ATOM 702 CD2 PHE A 49 9.586 5.933 -4.656 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.879 4.625 -5.427 1.00 0.00 C ATOM 704 CE2 PHE A 49 10.494 5.417 -3.694 1.00 0.00 C ATOM 705 CZ PHE A 49 11.621 4.773 -4.100 1.00 0.00 C ATOM 0 H PHE A 49 7.423 6.856 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 49 8.255 4.355 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.430 6.694 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.358 7.208 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.177 5.023 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.690 6.443 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.775 4.115 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.290 5.536 -2.640 1.00 0.00 H new ATOM 0 HZ PHE A 49 12.311 4.379 -3.369 1.00 0.00 H new ATOM 715 N ILE A 50 5.786 6.057 -6.413 1.00 0.00 N ATOM 716 CA ILE A 50 4.716 6.018 -5.431 1.00 0.00 C ATOM 717 C ILE A 50 3.803 4.826 -5.725 1.00 0.00 C ATOM 718 O ILE A 50 3.254 4.218 -4.806 1.00 0.00 O ATOM 719 CB ILE A 50 3.980 7.359 -5.385 1.00 0.00 C ATOM 720 CG1 ILE A 50 3.977 7.935 -3.968 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.566 7.228 -5.954 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.338 8.540 -3.618 1.00 0.00 C ATOM 0 H ILE A 50 5.713 6.813 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 50 5.123 5.870 -4.431 1.00 0.00 H new ATOM 0 HB ILE A 50 4.517 8.065 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.203 8.698 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.730 7.150 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.065 8.195 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.620 6.895 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.004 6.501 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.308 8.942 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.106 7.769 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.571 9.341 -4.320 1.00 0.00 H new ATOM 734 N GLY A 51 3.669 4.527 -7.008 1.00 0.00 N ATOM 735 CA GLY A 51 2.832 3.418 -7.435 1.00 0.00 C ATOM 736 C GLY A 51 3.448 2.078 -7.029 1.00 0.00 C ATOM 737 O GLY A 51 2.736 1.158 -6.629 1.00 0.00 O ATOM 0 H GLY A 51 4.126 5.033 -7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.840 3.515 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.704 3.450 -8.517 1.00 0.00 H new ATOM 741 N VAL A 52 4.766 2.010 -7.146 1.00 0.00 N ATOM 742 CA VAL A 52 5.487 0.797 -6.796 1.00 0.00 C ATOM 743 C VAL A 52 5.467 0.618 -5.277 1.00 0.00 C ATOM 744 O VAL A 52 5.122 -0.453 -4.779 1.00 0.00 O ATOM 745 CB VAL A 52 6.903 0.845 -7.374 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.631 -0.482 -7.151 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.877 1.214 -8.859 1.00 0.00 C ATOM 0 H VAL A 52 5.354 2.775 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 52 5.002 -0.076 -7.233 1.00 0.00 H new ATOM 0 HB VAL A 52 7.455 1.623 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.635 -0.421 -7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.697 -0.686 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.081 -1.286 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.896 1.241 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.300 0.470 -9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.416 2.194 -8.982 1.00 0.00 H new ATOM 757 N ALA A 53 5.842 1.682 -4.582 1.00 0.00 N ATOM 758 CA ALA A 53 5.872 1.655 -3.130 1.00 0.00 C ATOM 759 C ALA A 53 4.515 1.183 -2.605 1.00 0.00 C ATOM 760 O ALA A 53 4.450 0.388 -1.668 1.00 0.00 O ATOM 761 CB ALA A 53 6.253 3.040 -2.601 1.00 0.00 C ATOM 0 H ALA A 53 6.128 2.568 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 53 6.625 0.952 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.275 3.020 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.237 3.316 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.518 3.772 -2.935 1.00 0.00 H new ATOM 767 N LEU A 54 3.464 1.694 -3.230 1.00 0.00 N ATOM 768 CA LEU A 54 2.112 1.334 -2.838 1.00 0.00 C ATOM 769 C LEU A 54 1.885 -0.153 -3.112 1.00 0.00 C ATOM 770 O LEU A 54 1.138 -0.814 -2.391 1.00 0.00 O ATOM 771 CB LEU A 54 1.095 2.249 -3.523 1.00 0.00 C ATOM 772 CG LEU A 54 0.365 1.655 -4.730 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.818 0.793 -4.285 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.061 2.752 -5.708 1.00 0.00 C ATOM 0 H LEU A 54 3.522 2.354 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 54 1.972 1.485 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.351 2.549 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.609 3.155 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 54 1.058 1.002 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.320 0.383 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.458 -0.023 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.520 1.404 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.577 2.303 -6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.730 3.449 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.821 3.287 -6.062 1.00 0.00 H new ATOM 786 N VAL A 55 2.542 -0.638 -4.156 1.00 0.00 N ATOM 787 CA VAL A 55 2.421 -2.035 -4.534 1.00 0.00 C ATOM 788 C VAL A 55 3.217 -2.896 -3.550 1.00 0.00 C ATOM 789 O VAL A 55 2.894 -4.064 -3.340 1.00 0.00 O ATOM 790 CB VAL A 55 2.862 -2.225 -5.987 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.986 -3.710 -6.333 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.904 -1.516 -6.947 1.00 0.00 C ATOM 0 H VAL A 55 3.160 -0.087 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 55 1.381 -2.356 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 55 3.847 -1.772 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.301 -3.817 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.725 -4.175 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.021 -4.198 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.240 -1.666 -7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.901 -1.927 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.888 -0.449 -6.723 1.00 0.00 H new ATOM 802 N GLU A 56 4.242 -2.285 -2.974 1.00 0.00 N ATOM 803 CA GLU A 56 5.086 -2.981 -2.018 1.00 0.00 C ATOM 804 C GLU A 56 4.369 -3.111 -0.673 1.00 0.00 C ATOM 805 O GLU A 56 4.899 -3.710 0.262 1.00 0.00 O ATOM 806 CB GLU A 56 6.431 -2.271 -1.856 1.00 0.00 C ATOM 807 CG GLU A 56 7.387 -2.642 -2.992 1.00 0.00 C ATOM 808 CD GLU A 56 8.824 -2.239 -2.654 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.120 -1.031 -2.782 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.593 -3.148 -2.275 1.00 0.00 O ATOM 0 H GLU A 56 4.507 -1.316 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 56 5.285 -3.982 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.277 -1.192 -1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.876 -2.541 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.340 -3.715 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.074 -2.148 -3.912 1.00 0.00 H new ATOM 817 N ALA A 57 3.175 -2.540 -0.617 1.00 0.00 N ATOM 818 CA ALA A 57 2.380 -2.584 0.599 1.00 0.00 C ATOM 819 C ALA A 57 1.505 -3.839 0.585 1.00 0.00 C ATOM 820 O ALA A 57 0.953 -4.226 1.614 1.00 0.00 O ATOM 821 CB ALA A 57 1.557 -1.300 0.717 1.00 0.00 C ATOM 0 H ALA A 57 2.738 -2.044 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 57 3.023 -2.640 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.961 -1.333 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.227 -0.441 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.897 -1.211 -0.145 1.00 0.00 H new ATOM 827 N LEU A 58 1.405 -4.439 -0.592 1.00 0.00 N ATOM 828 CA LEU A 58 0.606 -5.642 -0.753 1.00 0.00 C ATOM 829 C LEU A 58 1.340 -6.825 -0.118 1.00 0.00 C ATOM 830 O LEU A 58 0.776 -7.537 0.711 1.00 0.00 O ATOM 831 CB LEU A 58 0.252 -5.857 -2.226 1.00 0.00 C ATOM 832 CG LEU A 58 -1.208 -6.210 -2.520 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.159 -5.319 -1.718 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.495 -6.149 -4.021 1.00 0.00 C ATOM 0 H LEU A 58 1.864 -4.115 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.346 -5.540 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.504 -4.950 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.884 -6.654 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.382 -7.237 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.190 -5.590 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.974 -5.456 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.991 -4.275 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.539 -6.404 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.298 -5.142 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.852 -6.858 -4.543 1.00 0.00 H new ATOM 846 N PRO A 59 2.620 -7.002 -0.543 1.00 0.00 N ATOM 847 CA PRO A 59 3.437 -8.087 -0.025 1.00 0.00 C ATOM 848 C PRO A 59 3.914 -7.783 1.396 1.00 0.00 C ATOM 849 O PRO A 59 4.053 -8.690 2.215 1.00 0.00 O ATOM 850 CB PRO A 59 4.579 -8.227 -1.018 1.00 0.00 C ATOM 851 CG PRO A 59 4.617 -6.923 -1.797 1.00 0.00 C ATOM 852 CD PRO A 59 3.320 -6.178 -1.524 1.00 0.00 C ATOM 0 HA PRO A 59 2.887 -9.024 0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.524 -8.402 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.416 -9.075 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.474 -6.322 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.727 -7.119 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.512 -5.178 -1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.732 -6.060 -2.434 1.00 0.00 H new ATOM 860 N ILE A 60 4.152 -6.504 1.646 1.00 0.00 N ATOM 861 CA ILE A 60 4.610 -6.069 2.954 1.00 0.00 C ATOM 862 C ILE A 60 3.574 -6.461 4.010 1.00 0.00 C ATOM 863 O ILE A 60 3.895 -7.160 4.970 1.00 0.00 O ATOM 864 CB ILE A 60 4.936 -4.574 2.939 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.319 -4.321 2.335 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.801 -3.969 4.337 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.554 -2.826 2.110 1.00 0.00 C ATOM 0 H ILE A 60 4.036 -5.754 0.964 1.00 0.00 H new ATOM 0 HA ILE A 60 5.540 -6.572 3.217 1.00 0.00 H new ATOM 0 HB ILE A 60 4.209 -4.072 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.088 -4.718 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.409 -4.853 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.038 -2.906 4.298 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.779 -4.100 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.489 -4.469 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.544 -2.674 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.798 -2.438 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.487 -2.300 3.062 1.00 0.00 H new ATOM 879 N ILE A 61 2.353 -5.995 3.796 1.00 0.00 N ATOM 880 CA ILE A 61 1.268 -6.288 4.716 1.00 0.00 C ATOM 881 C ILE A 61 1.029 -7.799 4.752 1.00 0.00 C ATOM 882 O ILE A 61 0.839 -8.376 5.822 1.00 0.00 O ATOM 883 CB ILE A 61 0.022 -5.477 4.352 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.330 -3.979 4.328 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.141 -5.808 5.290 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.386 -3.408 5.746 1.00 0.00 C ATOM 0 H ILE A 61 2.091 -5.416 2.998 1.00 0.00 H new ATOM 0 HA ILE A 61 1.534 -5.983 5.728 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.286 -5.758 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.282 -3.808 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.433 -3.456 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.014 -5.218 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.380 -6.869 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.859 -5.573 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.607 -2.342 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.575 -3.559 6.237 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.167 -3.916 6.312 1.00 0.00 H new ATOM 898 N GLY A 62 1.047 -8.397 3.570 1.00 0.00 N ATOM 899 CA GLY A 62 0.836 -9.830 3.453 1.00 0.00 C ATOM 900 C GLY A 62 1.775 -10.600 4.383 1.00 0.00 C ATOM 901 O GLY A 62 1.394 -11.626 4.945 1.00 0.00 O ATOM 0 H GLY A 62 1.204 -7.915 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.199 -10.070 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.002 -10.143 2.422 1.00 0.00 H new ATOM 905 N VAL A 63 2.985 -10.077 4.516 1.00 0.00 N ATOM 906 CA VAL A 63 3.982 -10.703 5.367 1.00 0.00 C ATOM 907 C VAL A 63 3.626 -10.449 6.834 1.00 0.00 C ATOM 908 O VAL A 63 3.902 -11.281 7.696 1.00 0.00 O ATOM 909 CB VAL A 63 5.378 -10.200 4.995 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.421 -10.678 6.008 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.755 -10.629 3.576 1.00 0.00 C ATOM 0 H VAL A 63 3.297 -9.226 4.048 1.00 0.00 H new ATOM 0 HA VAL A 63 3.989 -11.782 5.216 1.00 0.00 H new ATOM 0 HB VAL A 63 5.360 -9.110 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.405 -10.307 5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.166 -10.301 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.436 -11.768 6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.752 -10.259 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.747 -11.717 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.035 -10.218 2.868 1.00 0.00 H new ATOM 921 N VAL A 64 3.018 -9.295 7.070 1.00 0.00 N ATOM 922 CA VAL A 64 2.622 -8.921 8.417 1.00 0.00 C ATOM 923 C VAL A 64 1.542 -9.885 8.913 1.00 0.00 C ATOM 924 O VAL A 64 1.703 -10.520 9.954 1.00 0.00 O ATOM 925 CB VAL A 64 2.174 -7.458 8.443 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.549 -7.100 9.793 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.339 -6.523 8.114 1.00 0.00 C ATOM 0 H VAL A 64 2.790 -8.608 6.352 1.00 0.00 H new ATOM 0 HA VAL A 64 3.468 -9.001 9.100 1.00 0.00 H new ATOM 0 HB VAL A 64 1.411 -7.327 7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.239 -6.055 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.681 -7.734 9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.281 -7.255 10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.994 -5.489 8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.133 -6.659 8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.721 -6.754 7.120 1.00 0.00 H new ATOM 937 N PHE A 65 0.466 -9.965 8.144 1.00 0.00 N ATOM 938 CA PHE A 65 -0.639 -10.841 8.492 1.00 0.00 C ATOM 939 C PHE A 65 -0.141 -12.253 8.809 1.00 0.00 C ATOM 940 O PHE A 65 -0.536 -12.843 9.813 1.00 0.00 O ATOM 941 CB PHE A 65 -1.563 -10.901 7.274 1.00 0.00 C ATOM 942 CG PHE A 65 -1.668 -12.289 6.640 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.201 -13.321 7.347 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.229 -12.491 5.368 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.298 -14.610 6.759 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.327 -13.779 4.780 1.00 0.00 C ATOM 947 CZ PHE A 65 -1.859 -14.812 5.487 1.00 0.00 C ATOM 0 H PHE A 65 0.336 -9.437 7.281 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.153 -10.459 9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.559 -10.572 7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.204 -10.196 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.551 -13.160 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.806 -11.671 4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.720 -15.430 7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.979 -13.939 3.770 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.933 -15.792 5.039 1.00 0.00 H new ATOM 957 N SER A 66 0.718 -12.753 7.933 1.00 0.00 N ATOM 958 CA SER A 66 1.274 -14.084 8.107 1.00 0.00 C ATOM 959 C SER A 66 2.064 -14.154 9.415 1.00 0.00 C ATOM 960 O SER A 66 1.917 -15.104 10.183 1.00 0.00 O ATOM 961 CB SER A 66 2.168 -14.466 6.926 1.00 0.00 C ATOM 962 OG SER A 66 1.536 -14.214 5.674 1.00 0.00 O ATOM 0 H SER A 66 1.042 -12.260 7.101 1.00 0.00 H new ATOM 0 HA SER A 66 0.450 -14.796 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.101 -13.904 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.428 -15.522 6.995 1.00 0.00 H new ATOM 0 HG SER A 66 0.580 -14.053 5.817 1.00 0.00 H new ATOM 968 N PHE A 67 2.885 -13.136 9.629 1.00 0.00 N ATOM 969 CA PHE A 67 3.698 -13.071 10.831 1.00 0.00 C ATOM 970 C PHE A 67 2.825 -13.115 12.087 1.00 0.00 C ATOM 971 O PHE A 67 3.225 -13.676 13.106 1.00 0.00 O ATOM 972 CB PHE A 67 4.448 -11.738 10.792 1.00 0.00 C ATOM 973 CG PHE A 67 5.916 -11.861 10.377 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.719 -12.776 10.984 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.417 -11.056 9.402 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.081 -12.890 10.599 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.779 -11.171 9.018 1.00 0.00 C ATOM 978 CZ PHE A 67 8.582 -12.085 9.624 1.00 0.00 C ATOM 0 H PHE A 67 3.004 -12.350 8.990 1.00 0.00 H new ATOM 0 HA PHE A 67 4.380 -13.921 10.865 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.940 -11.067 10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.397 -11.275 11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.321 -13.415 11.758 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.779 -10.330 8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.719 -13.616 11.081 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.177 -10.532 8.244 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.618 -12.172 9.331 1.00 0.00 H new ATOM 988 N ILE A 68 1.650 -12.515 11.973 1.00 0.00 N ATOM 989 CA ILE A 68 0.717 -12.478 13.087 1.00 0.00 C ATOM 990 C ILE A 68 0.410 -13.908 13.536 1.00 0.00 C ATOM 991 O ILE A 68 0.522 -14.228 14.718 1.00 0.00 O ATOM 992 CB ILE A 68 -0.527 -11.668 12.717 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.430 -10.238 13.251 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.800 -12.372 13.192 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.850 -9.557 12.762 1.00 0.00 C ATOM 0 H ILE A 68 1.322 -12.050 11.126 1.00 0.00 H new ATOM 0 HA ILE A 68 1.161 -11.964 13.940 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.581 -11.602 11.630 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.298 -9.665 12.926 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.446 -10.251 14.341 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.670 -11.776 12.917 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.870 -13.353 12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.768 -12.489 14.275 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.895 -8.542 13.156 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.717 -10.119 13.109 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.851 -9.524 11.672 1.00 0.00 H new ATOM 1007 N TYR A 69 0.028 -14.729 12.569 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.297 -16.117 12.850 1.00 0.00 C ATOM 1009 C TYR A 69 0.872 -16.825 13.538 1.00 0.00 C ATOM 1010 O TYR A 69 0.689 -17.485 14.559 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.548 -16.775 11.492 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.411 -18.036 11.562 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.076 -19.055 12.431 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.525 -18.155 10.756 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.888 -20.242 12.496 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.337 -19.343 10.822 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.979 -20.327 11.689 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.746 -21.448 11.751 1.00 0.00 O ATOM 0 H TYR A 69 -0.064 -14.459 11.590 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.160 -16.182 13.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.031 -16.053 10.833 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.411 -17.028 11.039 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.205 -18.962 13.062 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.788 -17.358 10.076 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.636 -21.047 13.171 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.211 -19.450 10.196 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.492 -21.369 11.120 1.00 0.00 H new ATOM 1028 N LEU A 70 2.049 -16.663 12.950 1.00 0.00 N ATOM 1029 CA LEU A 70 3.248 -17.278 13.494 1.00 0.00 C ATOM 1030 C LEU A 70 3.363 -16.935 14.980 1.00 0.00 C ATOM 1031 O LEU A 70 4.029 -17.643 15.734 1.00 0.00 O ATOM 1032 CB LEU A 70 4.475 -16.876 12.673 1.00 0.00 C ATOM 1033 CG LEU A 70 5.596 -17.914 12.591 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.349 -18.899 11.447 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.964 -17.237 12.479 1.00 0.00 C ATOM 0 H LEU A 70 2.197 -16.115 12.103 1.00 0.00 H new ATOM 0 HA LEU A 70 3.186 -18.364 13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.149 -16.642 11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.886 -15.959 13.096 1.00 0.00 H new ATOM 0 HG LEU A 70 5.596 -18.489 13.517 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.160 -19.626 11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.404 -19.418 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.306 -18.356 10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.743 -17.998 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.992 -16.621 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.132 -16.610 13.354 1.00 0.00 H new ATOM 1047 N GLY A 71 2.704 -15.850 15.357 1.00 0.00 N ATOM 1048 CA GLY A 71 2.723 -15.404 16.740 1.00 0.00 C ATOM 1049 C GLY A 71 3.490 -14.088 16.882 1.00 0.00 C ATOM 1050 O GLY A 71 3.954 -13.749 17.969 1.00 0.00 O ATOM 0 H GLY A 71 2.153 -15.266 14.728 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.702 -15.274 17.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.185 -16.168 17.366 1.00 0.00 H new ATOM 1054 N ARG A 72 3.600 -13.381 15.766 1.00 0.00 N ATOM 1055 CA ARG A 72 4.302 -12.110 15.752 1.00 0.00 C ATOM 1056 C ARG A 72 3.308 -10.953 15.867 1.00 0.00 C ATOM 1057 O ARG A 72 2.922 -10.359 14.862 1.00 0.00 O ATOM 1058 CB ARG A 72 5.118 -11.945 14.468 1.00 0.00 C ATOM 1059 CG ARG A 72 6.513 -11.394 14.771 1.00 0.00 C ATOM 1060 CD ARG A 72 7.587 -12.459 14.538 1.00 0.00 C ATOM 1061 NE ARG A 72 8.858 -12.043 15.171 1.00 0.00 N ATOM 1062 CZ ARG A 72 10.034 -12.652 14.966 1.00 0.00 C ATOM 1063 NH1 ARG A 72 10.107 -13.707 14.144 1.00 0.00 N ATOM 1064 NH2 ARG A 72 11.136 -12.206 15.584 1.00 0.00 N ATOM 0 H ARG A 72 3.214 -13.665 14.865 1.00 0.00 H new ATOM 0 HA ARG A 72 4.981 -12.097 16.605 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.205 -12.907 13.962 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.598 -11.272 13.786 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.711 -10.529 14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.555 -11.050 15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.260 -13.413 14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.736 -12.609 13.469 1.00 0.00 H new ATOM 0 HE ARG A 72 8.838 -11.243 15.803 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.268 -14.047 13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.002 -14.171 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.080 -11.403 16.210 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.031 -12.669 15.428 1.00 0.00 H new TER 1078 ARG A 72