USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN : amide:sc= 0 X(o=-0.012,f=-0.012) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= -0.0122 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.11 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc=0.000897 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.396 K(o=-0.4,f=0.42) USER MOD Single : A 52 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.19) USER MOD Single : A 58 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.065) USER MOD Single : A 61 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.019) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0.424 (180deg=0.369) USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= -0.0912 (180deg=-0.483) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0847) USER MOD Single : A 82 SER OG : rot 180:sc= -0.036 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0515 X(o=-0.052,f=-0.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.396 2.870 -8.252 1.00 0.00 N ATOM 2 CA GLY A 1 -22.070 2.411 -8.623 1.00 0.00 C ATOM 3 C GLY A 1 -20.971 3.245 -7.994 1.00 0.00 C ATOM 4 O GLY A 1 -21.044 3.593 -6.816 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.112 2.268 -8.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.505 2.817 -7.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.523 3.854 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.951 1.371 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.969 2.441 -9.708 1.00 0.00 H new ATOM 8 N SER A 2 -19.949 3.564 -8.781 1.00 0.00 N ATOM 9 CA SER A 2 -18.827 4.357 -8.293 1.00 0.00 C ATOM 10 C SER A 2 -17.913 4.771 -9.443 1.00 0.00 C ATOM 11 O SER A 2 -17.795 4.063 -10.442 1.00 0.00 O ATOM 12 CB SER A 2 -18.030 3.566 -7.253 1.00 0.00 C ATOM 13 OG SER A 2 -17.901 4.297 -6.046 1.00 0.00 O ATOM 0 H SER A 2 -19.875 3.286 -9.759 1.00 0.00 H new ATOM 0 HA SER A 2 -19.226 5.258 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.526 2.616 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.041 3.333 -7.648 1.00 0.00 H new ATOM 0 HG SER A 2 -17.390 3.770 -5.397 1.00 0.00 H new ATOM 19 N SER A 3 -17.269 5.924 -9.292 1.00 0.00 N ATOM 20 CA SER A 3 -16.369 6.436 -10.319 1.00 0.00 C ATOM 21 C SER A 3 -15.317 5.394 -10.688 1.00 0.00 C ATOM 22 O SER A 3 -14.969 4.534 -9.880 1.00 0.00 O ATOM 23 CB SER A 3 -15.686 7.717 -9.836 1.00 0.00 C ATOM 24 OG SER A 3 -16.422 8.322 -8.786 1.00 0.00 O ATOM 0 H SER A 3 -17.354 6.521 -8.469 1.00 0.00 H new ATOM 0 HA SER A 3 -16.961 6.660 -11.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.677 7.488 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.589 8.416 -10.666 1.00 0.00 H new ATOM 0 HG SER A 3 -15.964 9.138 -8.493 1.00 0.00 H new ATOM 30 N GLY A 4 -14.815 5.479 -11.916 1.00 0.00 N ATOM 31 CA GLY A 4 -13.808 4.538 -12.372 1.00 0.00 C ATOM 32 C GLY A 4 -13.220 4.924 -13.714 1.00 0.00 C ATOM 33 O GLY A 4 -13.828 4.687 -14.758 1.00 0.00 O ATOM 0 H GLY A 4 -15.087 6.182 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.009 4.478 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.250 3.544 -12.445 1.00 0.00 H new ATOM 37 N SER A 5 -12.033 5.522 -13.689 1.00 0.00 N ATOM 38 CA SER A 5 -11.364 5.947 -14.913 1.00 0.00 C ATOM 39 C SER A 5 -10.603 4.787 -15.547 1.00 0.00 C ATOM 40 O SER A 5 -9.955 4.003 -14.854 1.00 0.00 O ATOM 41 CB SER A 5 -10.405 7.103 -14.621 1.00 0.00 C ATOM 42 OG SER A 5 -10.985 8.348 -14.969 1.00 0.00 O ATOM 0 H SER A 5 -11.515 5.723 -12.834 1.00 0.00 H new ATOM 0 HA SER A 5 -12.126 6.286 -15.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.143 7.104 -13.563 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.479 6.961 -15.179 1.00 0.00 H new ATOM 0 HG SER A 5 -10.353 9.070 -14.771 1.00 0.00 H new ATOM 48 N SER A 6 -10.687 4.685 -16.870 1.00 0.00 N ATOM 49 CA SER A 6 -10.010 3.619 -17.599 1.00 0.00 C ATOM 50 C SER A 6 -8.675 4.104 -18.155 1.00 0.00 C ATOM 51 O SER A 6 -8.597 5.166 -18.773 1.00 0.00 O ATOM 52 CB SER A 6 -10.895 3.109 -18.737 1.00 0.00 C ATOM 53 OG SER A 6 -10.148 2.328 -19.654 1.00 0.00 O ATOM 0 H SER A 6 -11.217 5.328 -17.459 1.00 0.00 H new ATOM 0 HA SER A 6 -9.818 2.802 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.711 2.514 -18.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.346 3.954 -19.257 1.00 0.00 H new ATOM 0 HG SER A 6 -10.737 2.013 -20.371 1.00 0.00 H new ATOM 59 N GLY A 7 -7.627 3.318 -17.932 1.00 0.00 N ATOM 60 CA GLY A 7 -6.309 3.683 -18.417 1.00 0.00 C ATOM 61 C GLY A 7 -6.103 3.312 -19.872 1.00 0.00 C ATOM 62 O GLY A 7 -6.785 3.831 -20.757 1.00 0.00 O ATOM 0 H GLY A 7 -7.667 2.434 -17.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.165 4.757 -18.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.552 3.189 -17.809 1.00 0.00 H new ATOM 66 N THR A 8 -5.158 2.411 -20.124 1.00 0.00 N ATOM 67 CA THR A 8 -4.862 1.973 -21.482 1.00 0.00 C ATOM 68 C THR A 8 -5.301 0.529 -21.701 1.00 0.00 C ATOM 69 O THR A 8 -5.600 0.126 -22.825 1.00 0.00 O ATOM 70 CB THR A 8 -3.359 2.094 -21.796 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.112 1.729 -23.158 1.00 0.00 O ATOM 72 CG2 THR A 8 -2.539 1.206 -20.871 1.00 0.00 C ATOM 0 H THR A 8 -4.585 1.971 -19.405 1.00 0.00 H new ATOM 0 HA THR A 8 -5.419 2.626 -22.154 1.00 0.00 H new ATOM 0 HB THR A 8 -3.060 3.130 -21.638 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.154 1.810 -23.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.481 1.308 -21.112 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.706 1.506 -19.836 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.842 0.167 -21.001 1.00 0.00 H new ATOM 80 N SER A 9 -5.337 -0.244 -20.621 1.00 0.00 N ATOM 81 CA SER A 9 -5.737 -1.644 -20.697 1.00 0.00 C ATOM 82 C SER A 9 -6.387 -2.095 -19.392 1.00 0.00 C ATOM 83 O SER A 9 -7.601 -2.287 -19.325 1.00 0.00 O ATOM 84 CB SER A 9 -4.526 -2.526 -21.008 1.00 0.00 C ATOM 85 OG SER A 9 -4.808 -3.890 -20.746 1.00 0.00 O ATOM 0 H SER A 9 -5.094 0.075 -19.683 1.00 0.00 H new ATOM 0 HA SER A 9 -6.467 -1.745 -21.500 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.242 -2.404 -22.053 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.675 -2.205 -20.407 1.00 0.00 H new ATOM 0 HG SER A 9 -4.019 -4.433 -20.954 1.00 0.00 H new ATOM 91 N ALA A 10 -5.569 -2.263 -18.358 1.00 0.00 N ATOM 92 CA ALA A 10 -6.063 -2.689 -17.055 1.00 0.00 C ATOM 93 C ALA A 10 -4.956 -2.648 -16.008 1.00 0.00 C ATOM 94 O ALA A 10 -3.770 -2.654 -16.342 1.00 0.00 O ATOM 95 CB ALA A 10 -6.655 -4.088 -17.146 1.00 0.00 C ATOM 0 H ALA A 10 -4.561 -2.110 -18.398 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.845 -1.995 -16.746 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.020 -4.393 -16.165 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.481 -4.088 -17.857 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.888 -4.786 -17.481 1.00 0.00 H new ATOM 101 N LEU A 11 -5.348 -2.606 -14.739 1.00 0.00 N ATOM 102 CA LEU A 11 -4.388 -2.563 -13.642 1.00 0.00 C ATOM 103 C LEU A 11 -3.536 -1.299 -13.713 1.00 0.00 C ATOM 104 O LEU A 11 -3.546 -0.588 -14.716 1.00 0.00 O ATOM 105 CB LEU A 11 -3.489 -3.800 -13.676 1.00 0.00 C ATOM 106 CG LEU A 11 -3.769 -4.863 -12.613 1.00 0.00 C ATOM 107 CD1 LEU A 11 -3.379 -4.353 -11.234 1.00 0.00 C ATOM 108 CD2 LEU A 11 -5.234 -5.270 -12.638 1.00 0.00 C ATOM 0 H LEU A 11 -6.325 -2.601 -14.445 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.945 -2.552 -12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.581 -4.264 -14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.454 -3.475 -13.572 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.165 -5.742 -12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.585 -5.122 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.316 -4.112 -11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.956 -3.458 -11.000 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.414 -6.027 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.857 -4.398 -12.439 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.482 -5.677 -13.618 1.00 0.00 H new ATOM 120 N ALA A 12 -2.799 -1.028 -12.640 1.00 0.00 N ATOM 121 CA ALA A 12 -1.938 0.146 -12.583 1.00 0.00 C ATOM 122 C ALA A 12 -0.684 -0.050 -13.427 1.00 0.00 C ATOM 123 O ALA A 12 -0.248 -1.172 -13.683 1.00 0.00 O ATOM 124 CB ALA A 12 -1.563 0.455 -11.141 1.00 0.00 C ATOM 0 H ALA A 12 -2.782 -1.606 -11.799 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.491 0.991 -12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.920 1.334 -11.113 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.467 0.648 -10.563 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.033 -0.396 -10.712 1.00 0.00 H new ATOM 130 N PRO A 13 -0.089 1.067 -13.872 1.00 0.00 N ATOM 131 CA PRO A 13 1.124 1.043 -14.695 1.00 0.00 C ATOM 132 C PRO A 13 2.349 0.586 -13.910 1.00 0.00 C ATOM 133 O PRO A 13 3.032 1.393 -13.281 1.00 0.00 O ATOM 134 CB PRO A 13 1.284 2.501 -15.134 1.00 0.00 C ATOM 135 CG PRO A 13 0.591 3.292 -14.079 1.00 0.00 C ATOM 136 CD PRO A 13 -0.553 2.438 -13.606 1.00 0.00 C ATOM 0 HA PRO A 13 1.040 0.340 -15.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.335 2.778 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.837 2.671 -16.114 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.269 3.526 -13.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.231 4.241 -14.476 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.760 2.594 -12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.472 2.663 -14.147 1.00 0.00 H new ATOM 144 N VAL A 14 2.621 -0.715 -13.952 1.00 0.00 N ATOM 145 CA VAL A 14 3.765 -1.279 -13.245 1.00 0.00 C ATOM 146 C VAL A 14 5.073 -0.681 -13.750 1.00 0.00 C ATOM 147 O VAL A 14 5.125 -0.103 -14.836 1.00 0.00 O ATOM 148 CB VAL A 14 3.820 -2.811 -13.400 1.00 0.00 C ATOM 149 CG1 VAL A 14 2.707 -3.469 -12.599 1.00 0.00 C ATOM 150 CG2 VAL A 14 3.734 -3.200 -14.868 1.00 0.00 C ATOM 0 H VAL A 14 2.065 -1.397 -14.468 1.00 0.00 H new ATOM 0 HA VAL A 14 3.639 -1.032 -12.191 1.00 0.00 H new ATOM 0 HB VAL A 14 4.774 -3.165 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.762 -4.551 -12.721 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.819 -3.216 -11.545 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.741 -3.112 -12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.774 -4.285 -14.960 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.796 -2.835 -15.287 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.570 -2.759 -15.411 1.00 0.00 H new ATOM 160 N ALA A 15 6.128 -0.823 -12.955 1.00 0.00 N ATOM 161 CA ALA A 15 7.437 -0.299 -13.322 1.00 0.00 C ATOM 162 C ALA A 15 7.391 1.214 -13.507 1.00 0.00 C ATOM 163 O ALA A 15 7.902 1.745 -14.493 1.00 0.00 O ATOM 164 CB ALA A 15 7.939 -0.972 -14.591 1.00 0.00 C ATOM 0 H ALA A 15 6.101 -1.297 -12.052 1.00 0.00 H new ATOM 0 HA ALA A 15 8.129 -0.519 -12.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.918 -0.570 -14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.020 -2.046 -14.426 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.239 -0.782 -15.405 1.00 0.00 H new ATOM 170 N ALA A 16 6.774 1.904 -12.553 1.00 0.00 N ATOM 171 CA ALA A 16 6.661 3.356 -12.611 1.00 0.00 C ATOM 172 C ALA A 16 6.411 3.943 -11.226 1.00 0.00 C ATOM 173 O ALA A 16 5.309 4.402 -10.926 1.00 0.00 O ATOM 174 CB ALA A 16 5.550 3.762 -13.567 1.00 0.00 C ATOM 0 H ALA A 16 6.345 1.480 -11.730 1.00 0.00 H new ATOM 0 HA ALA A 16 7.606 3.754 -12.981 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.477 4.849 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.772 3.383 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.603 3.345 -13.223 1.00 0.00 H new ATOM 180 N ILE A 17 7.440 3.923 -10.385 1.00 0.00 N ATOM 181 CA ILE A 17 7.331 4.453 -9.032 1.00 0.00 C ATOM 182 C ILE A 17 8.052 5.791 -8.906 1.00 0.00 C ATOM 183 O ILE A 17 9.123 5.987 -9.481 1.00 0.00 O ATOM 184 CB ILE A 17 7.909 3.472 -7.994 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.189 2.125 -8.079 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.793 4.054 -6.593 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.862 1.029 -7.282 1.00 0.00 C ATOM 0 H ILE A 17 8.359 3.545 -10.617 1.00 0.00 H new ATOM 0 HA ILE A 17 6.269 4.595 -8.834 1.00 0.00 H new ATOM 0 HB ILE A 17 8.965 3.313 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.166 2.246 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.129 1.819 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.206 3.349 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.346 4.992 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.744 4.238 -6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.297 0.103 -7.388 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.876 0.880 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.898 1.313 -6.230 1.00 0.00 H new ATOM 199 N ILE A 18 7.458 6.708 -8.150 1.00 0.00 N ATOM 200 CA ILE A 18 8.045 8.027 -7.946 1.00 0.00 C ATOM 201 C ILE A 18 8.558 8.185 -6.519 1.00 0.00 C ATOM 202 O ILE A 18 7.874 7.864 -5.547 1.00 0.00 O ATOM 203 CB ILE A 18 7.030 9.147 -8.242 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.481 9.005 -9.663 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.675 10.511 -8.051 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.339 9.949 -9.967 1.00 0.00 C ATOM 0 H ILE A 18 6.571 6.562 -7.669 1.00 0.00 H new ATOM 0 HA ILE A 18 8.880 8.112 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 18 6.200 9.059 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.287 9.182 -10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.144 7.979 -9.813 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.945 11.292 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.021 10.609 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.522 10.611 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.000 9.792 -10.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.515 9.757 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.677 10.979 -9.850 1.00 0.00 H new ATOM 218 N PRO A 19 9.792 8.694 -6.388 1.00 0.00 N ATOM 219 CA PRO A 19 10.425 8.910 -5.083 1.00 0.00 C ATOM 220 C PRO A 19 9.769 10.042 -4.301 1.00 0.00 C ATOM 221 O PRO A 19 9.981 11.223 -4.575 1.00 0.00 O ATOM 222 CB PRO A 19 11.867 9.275 -5.444 1.00 0.00 C ATOM 223 CG PRO A 19 11.782 9.840 -6.820 1.00 0.00 C ATOM 224 CD PRO A 19 10.665 9.099 -7.503 1.00 0.00 C ATOM 0 HA PRO A 19 10.341 8.034 -4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.279 10.001 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.516 8.400 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.580 10.911 -6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.722 9.708 -7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.138 9.734 -8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.035 8.237 -8.057 1.00 0.00 H new ATOM 232 N PRO A 20 8.951 9.676 -3.302 1.00 0.00 N ATOM 233 CA PRO A 20 8.248 10.647 -2.458 1.00 0.00 C ATOM 234 C PRO A 20 9.195 11.407 -1.536 1.00 0.00 C ATOM 235 O PRO A 20 10.360 11.046 -1.368 1.00 0.00 O ATOM 236 CB PRO A 20 7.289 9.778 -1.641 1.00 0.00 C ATOM 237 CG PRO A 20 7.931 8.434 -1.607 1.00 0.00 C ATOM 238 CD PRO A 20 8.651 8.286 -2.919 1.00 0.00 C ATOM 0 HA PRO A 20 7.750 11.416 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.152 10.177 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.303 9.734 -2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.625 8.354 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.186 7.649 -1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.560 7.693 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.030 7.789 -3.664 1.00 0.00 H new ATOM 246 N PRO A 21 8.686 12.486 -0.923 1.00 0.00 N ATOM 247 CA PRO A 21 9.470 13.319 -0.006 1.00 0.00 C ATOM 248 C PRO A 21 9.785 12.602 1.303 1.00 0.00 C ATOM 249 O PRO A 21 9.198 11.570 1.630 1.00 0.00 O ATOM 250 CB PRO A 21 8.557 14.521 0.249 1.00 0.00 C ATOM 251 CG PRO A 21 7.179 14.008 0.009 1.00 0.00 C ATOM 252 CD PRO A 21 7.305 12.975 -1.076 1.00 0.00 C ATOM 0 HA PRO A 21 10.441 13.585 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.669 14.894 1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.794 15.347 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.761 13.572 0.916 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.510 14.813 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.578 12.172 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.139 13.407 -2.063 1.00 0.00 H new ATOM 260 N PRO A 22 10.733 13.159 2.070 1.00 0.00 N ATOM 261 CA PRO A 22 11.147 12.590 3.356 1.00 0.00 C ATOM 262 C PRO A 22 10.066 12.724 4.424 1.00 0.00 C ATOM 263 O PRO A 22 10.152 12.109 5.487 1.00 0.00 O ATOM 264 CB PRO A 22 12.376 13.421 3.733 1.00 0.00 C ATOM 265 CG PRO A 22 12.189 14.717 3.024 1.00 0.00 C ATOM 266 CD PRO A 22 11.474 14.389 1.742 1.00 0.00 C ATOM 0 HA PRO A 22 11.345 11.521 3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.440 13.565 4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.297 12.929 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.607 15.412 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.148 15.195 2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.804 15.193 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.173 14.230 0.921 1.00 0.00 H new ATOM 274 N ASP A 23 9.050 13.529 4.133 1.00 0.00 N ATOM 275 CA ASP A 23 7.951 13.741 5.068 1.00 0.00 C ATOM 276 C ASP A 23 6.888 12.659 4.912 1.00 0.00 C ATOM 277 O ASP A 23 6.147 12.362 5.849 1.00 0.00 O ATOM 278 CB ASP A 23 7.328 15.121 4.850 1.00 0.00 C ATOM 279 CG ASP A 23 8.217 16.243 5.351 1.00 0.00 C ATOM 280 OD1 ASP A 23 9.266 16.495 4.722 1.00 0.00 O ATOM 281 OD2 ASP A 23 7.862 16.869 6.371 1.00 0.00 O ATOM 0 H ASP A 23 8.965 14.045 3.257 1.00 0.00 H new ATOM 0 HA ASP A 23 8.352 13.687 6.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.131 15.264 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.366 15.167 5.361 1.00 0.00 H new ATOM 286 N VAL A 24 6.818 12.072 3.721 1.00 0.00 N ATOM 287 CA VAL A 24 5.846 11.022 3.442 1.00 0.00 C ATOM 288 C VAL A 24 6.521 9.659 3.347 1.00 0.00 C ATOM 289 O VAL A 24 5.882 8.625 3.537 1.00 0.00 O ATOM 290 CB VAL A 24 5.083 11.298 2.132 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.062 10.201 1.868 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.411 12.662 2.184 1.00 0.00 C ATOM 0 H VAL A 24 7.423 12.306 2.934 1.00 0.00 H new ATOM 0 HA VAL A 24 5.139 11.016 4.272 1.00 0.00 H new ATOM 0 HB VAL A 24 5.798 11.302 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.533 10.413 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.572 9.241 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.349 10.162 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.877 12.840 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.707 12.689 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.167 13.435 2.323 1.00 0.00 H new ATOM 302 N GLN A 25 7.817 9.665 3.051 1.00 0.00 N ATOM 303 CA GLN A 25 8.579 8.428 2.930 1.00 0.00 C ATOM 304 C GLN A 25 8.386 7.548 4.161 1.00 0.00 C ATOM 305 O GLN A 25 7.970 6.393 4.070 1.00 0.00 O ATOM 306 CB GLN A 25 10.064 8.736 2.736 1.00 0.00 C ATOM 307 CG GLN A 25 10.588 8.362 1.359 1.00 0.00 C ATOM 308 CD GLN A 25 12.035 7.908 1.388 1.00 0.00 C ATOM 309 OE1 GLN A 25 12.375 6.846 0.867 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.895 8.714 2.000 1.00 0.00 N ATOM 0 H GLN A 25 8.361 10.513 2.891 1.00 0.00 H new ATOM 0 HA GLN A 25 8.211 7.887 2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.231 9.800 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.639 8.201 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.970 7.566 0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.494 9.220 0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.569 9.585 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.882 8.462 2.052 1.00 0.00 H new ATOM 319 N PRO A 26 8.697 8.105 5.341 1.00 0.00 N ATOM 320 CA PRO A 26 8.566 7.388 6.614 1.00 0.00 C ATOM 321 C PRO A 26 7.110 7.151 6.998 1.00 0.00 C ATOM 322 O PRO A 26 6.813 6.337 7.873 1.00 0.00 O ATOM 323 CB PRO A 26 9.239 8.326 7.620 1.00 0.00 C ATOM 324 CG PRO A 26 9.120 9.681 7.013 1.00 0.00 C ATOM 325 CD PRO A 26 9.199 9.477 5.525 1.00 0.00 C ATOM 0 HA PRO A 26 9.014 6.395 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.747 8.283 8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.282 8.054 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.178 10.152 7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.919 10.336 7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.590 10.203 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.220 9.584 5.159 1.00 0.00 H new ATOM 333 N VAL A 27 6.204 7.866 6.338 1.00 0.00 N ATOM 334 CA VAL A 27 4.778 7.732 6.610 1.00 0.00 C ATOM 335 C VAL A 27 4.187 6.539 5.867 1.00 0.00 C ATOM 336 O VAL A 27 3.204 5.944 6.310 1.00 0.00 O ATOM 337 CB VAL A 27 4.008 9.004 6.211 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.519 8.831 6.469 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.551 10.212 6.959 1.00 0.00 C ATOM 0 H VAL A 27 6.433 8.544 5.611 1.00 0.00 H new ATOM 0 HA VAL A 27 4.674 7.576 7.684 1.00 0.00 H new ATOM 0 HB VAL A 27 4.149 9.173 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.992 9.740 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.143 7.992 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.354 8.636 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.995 11.102 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.442 10.055 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.605 10.346 6.717 1.00 0.00 H new ATOM 349 N ILE A 28 4.793 6.194 4.737 1.00 0.00 N ATOM 350 CA ILE A 28 4.328 5.070 3.933 1.00 0.00 C ATOM 351 C ILE A 28 5.036 3.779 4.330 1.00 0.00 C ATOM 352 O ILE A 28 4.456 2.695 4.263 1.00 0.00 O ATOM 353 CB ILE A 28 4.550 5.323 2.430 1.00 0.00 C ATOM 354 CG1 ILE A 28 3.822 6.595 1.991 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.077 4.128 1.616 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.060 6.958 0.542 1.00 0.00 C ATOM 0 H ILE A 28 5.607 6.676 4.357 1.00 0.00 H new ATOM 0 HA ILE A 28 3.259 4.968 4.122 1.00 0.00 H new ATOM 0 HB ILE A 28 5.617 5.459 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.752 6.466 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.143 7.424 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.241 4.322 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.637 3.241 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.014 3.963 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.513 7.870 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.125 7.119 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.713 6.147 -0.098 1.00 0.00 H new ATOM 368 N ASP A 29 6.292 3.903 4.745 1.00 0.00 N ATOM 369 CA ASP A 29 7.079 2.747 5.156 1.00 0.00 C ATOM 370 C ASP A 29 6.635 2.247 6.527 1.00 0.00 C ATOM 371 O ASP A 29 6.668 1.048 6.804 1.00 0.00 O ATOM 372 CB ASP A 29 8.567 3.100 5.185 1.00 0.00 C ATOM 373 CG ASP A 29 9.397 2.050 5.897 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.418 2.056 7.146 1.00 0.00 O ATOM 375 OD2 ASP A 29 10.026 1.223 5.206 1.00 0.00 O ATOM 0 H ASP A 29 6.787 4.793 4.806 1.00 0.00 H new ATOM 0 HA ASP A 29 6.917 1.951 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.930 3.215 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.700 4.062 5.681 1.00 0.00 H new ATOM 380 N LYS A 30 6.220 3.175 7.384 1.00 0.00 N ATOM 381 CA LYS A 30 5.769 2.830 8.727 1.00 0.00 C ATOM 382 C LYS A 30 4.510 1.972 8.674 1.00 0.00 C ATOM 383 O LYS A 30 4.383 0.992 9.409 1.00 0.00 O ATOM 384 CB LYS A 30 5.500 4.100 9.538 1.00 0.00 C ATOM 385 CG LYS A 30 5.169 3.831 10.996 1.00 0.00 C ATOM 386 CD LYS A 30 5.722 4.917 11.903 1.00 0.00 C ATOM 387 CE LYS A 30 4.801 6.127 11.949 1.00 0.00 C ATOM 388 NZ LYS A 30 5.408 7.257 12.706 1.00 0.00 N ATOM 0 H LYS A 30 6.187 4.172 7.172 1.00 0.00 H new ATOM 0 HA LYS A 30 6.558 2.256 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.376 4.747 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.674 4.645 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.088 3.769 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.580 2.865 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.853 4.520 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.707 5.221 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.575 6.450 10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.855 5.846 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.750 8.062 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.601 6.957 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.298 7.542 12.250 1.00 0.00 H new ATOM 402 N LEU A 31 3.581 2.344 7.800 1.00 0.00 N ATOM 403 CA LEU A 31 2.332 1.607 7.650 1.00 0.00 C ATOM 404 C LEU A 31 2.569 0.268 6.959 1.00 0.00 C ATOM 405 O LEU A 31 1.905 -0.724 7.260 1.00 0.00 O ATOM 406 CB LEU A 31 1.322 2.433 6.852 1.00 0.00 C ATOM 407 CG LEU A 31 -0.147 2.039 7.016 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.571 2.155 8.472 1.00 0.00 C ATOM 409 CD2 LEU A 31 -1.033 2.903 6.131 1.00 0.00 C ATOM 0 H LEU A 31 3.670 3.152 7.184 1.00 0.00 H new ATOM 0 HA LEU A 31 1.931 1.416 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.431 3.479 7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.580 2.364 5.795 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.261 1.000 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.619 1.871 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.043 1.494 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.441 3.184 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.074 2.609 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.915 3.950 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.746 2.770 5.088 1.00 0.00 H new ATOM 421 N ALA A 32 3.522 0.247 6.032 1.00 0.00 N ATOM 422 CA ALA A 32 3.850 -0.971 5.302 1.00 0.00 C ATOM 423 C ALA A 32 4.198 -2.108 6.257 1.00 0.00 C ATOM 424 O ALA A 32 3.580 -3.171 6.221 1.00 0.00 O ATOM 425 CB ALA A 32 5.001 -0.716 4.340 1.00 0.00 C ATOM 0 H ALA A 32 4.080 1.060 5.769 1.00 0.00 H new ATOM 0 HA ALA A 32 2.972 -1.269 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.235 -1.634 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.716 0.059 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.878 -0.390 4.900 1.00 0.00 H new ATOM 431 N GLU A 33 5.191 -1.875 7.109 1.00 0.00 N ATOM 432 CA GLU A 33 5.622 -2.881 8.073 1.00 0.00 C ATOM 433 C GLU A 33 4.453 -3.338 8.941 1.00 0.00 C ATOM 434 O GLU A 33 4.386 -4.497 9.351 1.00 0.00 O ATOM 435 CB GLU A 33 6.741 -2.327 8.957 1.00 0.00 C ATOM 436 CG GLU A 33 7.378 -3.371 9.859 1.00 0.00 C ATOM 437 CD GLU A 33 8.333 -2.765 10.869 1.00 0.00 C ATOM 438 OE1 GLU A 33 7.922 -1.829 11.587 1.00 0.00 O ATOM 439 OE2 GLU A 33 9.491 -3.227 10.941 1.00 0.00 O ATOM 0 H GLU A 33 5.712 -0.999 7.152 1.00 0.00 H new ATOM 0 HA GLU A 33 5.999 -3.740 7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.511 -1.889 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.341 -1.522 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.595 -3.916 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.914 -4.096 9.247 1.00 0.00 H new ATOM 446 N TYR A 34 3.534 -2.419 9.217 1.00 0.00 N ATOM 447 CA TYR A 34 2.369 -2.726 10.038 1.00 0.00 C ATOM 448 C TYR A 34 1.417 -3.666 9.305 1.00 0.00 C ATOM 449 O TYR A 34 0.962 -4.666 9.861 1.00 0.00 O ATOM 450 CB TYR A 34 1.637 -1.440 10.423 1.00 0.00 C ATOM 451 CG TYR A 34 1.077 -1.458 11.828 1.00 0.00 C ATOM 452 CD1 TYR A 34 -0.056 -2.201 12.136 1.00 0.00 C ATOM 453 CD2 TYR A 34 1.682 -0.733 12.847 1.00 0.00 C ATOM 454 CE1 TYR A 34 -0.571 -2.220 13.418 1.00 0.00 C ATOM 455 CE2 TYR A 34 1.175 -0.747 14.132 1.00 0.00 C ATOM 456 CZ TYR A 34 0.048 -1.492 14.412 1.00 0.00 C ATOM 457 OH TYR A 34 -0.461 -1.509 15.690 1.00 0.00 O ATOM 0 H TYR A 34 3.573 -1.456 8.884 1.00 0.00 H new ATOM 0 HA TYR A 34 2.716 -3.224 10.943 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.323 -0.599 10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.823 -1.271 9.719 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.542 -2.773 11.360 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.564 -0.148 12.631 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.453 -2.802 13.640 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.658 -0.178 14.913 1.00 0.00 H new ATOM 0 HH TYR A 34 0.092 -0.945 16.270 1.00 0.00 H new ATOM 467 N VAL A 35 1.122 -3.338 8.051 1.00 0.00 N ATOM 468 CA VAL A 35 0.226 -4.152 7.238 1.00 0.00 C ATOM 469 C VAL A 35 0.876 -5.480 6.866 1.00 0.00 C ATOM 470 O VAL A 35 0.191 -6.477 6.641 1.00 0.00 O ATOM 471 CB VAL A 35 -0.188 -3.417 5.950 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.130 -4.278 5.123 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.830 -2.079 6.284 1.00 0.00 C ATOM 0 H VAL A 35 1.491 -2.514 7.576 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.663 -4.341 7.840 1.00 0.00 H new ATOM 0 HB VAL A 35 0.707 -3.227 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.412 -3.742 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.630 -5.209 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.024 -4.502 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.117 -1.573 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.715 -2.243 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.119 -1.461 6.831 1.00 0.00 H new ATOM 483 N ALA A 36 2.204 -5.485 6.804 1.00 0.00 N ATOM 484 CA ALA A 36 2.948 -6.691 6.461 1.00 0.00 C ATOM 485 C ALA A 36 2.908 -7.703 7.601 1.00 0.00 C ATOM 486 O ALA A 36 3.015 -8.909 7.377 1.00 0.00 O ATOM 487 CB ALA A 36 4.387 -6.342 6.112 1.00 0.00 C ATOM 0 H ALA A 36 2.786 -4.668 6.987 1.00 0.00 H new ATOM 0 HA ALA A 36 2.475 -7.145 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.931 -7.252 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.400 -5.662 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.863 -5.862 6.967 1.00 0.00 H new ATOM 493 N ARG A 37 2.753 -7.205 8.823 1.00 0.00 N ATOM 494 CA ARG A 37 2.702 -8.066 9.999 1.00 0.00 C ATOM 495 C ARG A 37 1.258 -8.402 10.363 1.00 0.00 C ATOM 496 O ARG A 37 0.911 -9.567 10.552 1.00 0.00 O ATOM 497 CB ARG A 37 3.394 -7.390 11.184 1.00 0.00 C ATOM 498 CG ARG A 37 4.824 -7.857 11.401 1.00 0.00 C ATOM 499 CD ARG A 37 4.871 -9.284 11.923 1.00 0.00 C ATOM 500 NE ARG A 37 5.710 -9.405 13.112 1.00 0.00 N ATOM 501 CZ ARG A 37 7.038 -9.367 13.081 1.00 0.00 C ATOM 502 NH1 ARG A 37 7.673 -9.213 11.928 1.00 0.00 N ATOM 503 NH2 ARG A 37 7.732 -9.483 14.206 1.00 0.00 N ATOM 0 H ARG A 37 2.660 -6.209 9.025 1.00 0.00 H new ATOM 0 HA ARG A 37 3.225 -8.993 9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.393 -6.311 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.817 -7.582 12.089 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.375 -7.793 10.463 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.321 -7.193 12.108 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.860 -9.618 12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.251 -9.943 11.143 1.00 0.00 H new ATOM 0 HE ARG A 37 5.252 -9.525 14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.142 -9.123 11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.692 -9.184 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.246 -9.601 15.095 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.751 -9.454 14.182 1.00 0.00 H new ATOM 517 N ASN A 38 0.423 -7.373 10.462 1.00 0.00 N ATOM 518 CA ASN A 38 -0.982 -7.559 10.805 1.00 0.00 C ATOM 519 C ASN A 38 -1.728 -8.268 9.679 1.00 0.00 C ATOM 520 O ASN A 38 -2.348 -9.309 9.890 1.00 0.00 O ATOM 521 CB ASN A 38 -1.640 -6.209 11.096 1.00 0.00 C ATOM 522 CG ASN A 38 -1.380 -5.732 12.512 1.00 0.00 C ATOM 523 OD1 ASN A 38 -2.311 -5.422 13.255 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.109 -5.670 12.891 1.00 0.00 N ATOM 0 H ASN A 38 0.695 -6.402 10.310 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.033 -8.181 11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.266 -5.466 10.391 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.715 -6.289 10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.128 -5.355 13.832 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.631 -5.937 12.241 1.00 0.00 H new ATOM 531 N GLY A 39 -1.661 -7.697 8.480 1.00 0.00 N ATOM 532 CA GLY A 39 -2.334 -8.289 7.338 1.00 0.00 C ATOM 533 C GLY A 39 -3.081 -7.262 6.509 1.00 0.00 C ATOM 534 O GLY A 39 -3.360 -6.159 6.979 1.00 0.00 O ATOM 0 H GLY A 39 -1.153 -6.836 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.601 -8.795 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.034 -9.049 7.686 1.00 0.00 H new ATOM 538 N LEU A 40 -3.404 -7.624 5.273 1.00 0.00 N ATOM 539 CA LEU A 40 -4.122 -6.726 4.376 1.00 0.00 C ATOM 540 C LEU A 40 -5.427 -6.253 5.009 1.00 0.00 C ATOM 541 O LEU A 40 -5.929 -5.174 4.690 1.00 0.00 O ATOM 542 CB LEU A 40 -4.412 -7.425 3.046 1.00 0.00 C ATOM 543 CG LEU A 40 -3.687 -6.865 1.822 1.00 0.00 C ATOM 544 CD1 LEU A 40 -3.298 -7.987 0.872 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.557 -5.839 1.110 1.00 0.00 C ATOM 0 H LEU A 40 -3.180 -8.533 4.869 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.492 -5.856 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.151 -8.478 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.485 -7.379 2.861 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.776 -6.369 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.783 -7.569 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.637 -8.686 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.195 -8.512 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.025 -5.451 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.485 -6.311 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.785 -5.020 1.792 1.00 0.00 H new ATOM 557 N LYS A 41 -5.971 -7.065 5.908 1.00 0.00 N ATOM 558 CA LYS A 41 -7.215 -6.729 6.590 1.00 0.00 C ATOM 559 C LYS A 41 -7.100 -5.384 7.300 1.00 0.00 C ATOM 560 O LYS A 41 -8.095 -4.681 7.485 1.00 0.00 O ATOM 561 CB LYS A 41 -7.579 -7.821 7.599 1.00 0.00 C ATOM 562 CG LYS A 41 -8.534 -8.865 7.047 1.00 0.00 C ATOM 563 CD LYS A 41 -9.221 -9.636 8.161 1.00 0.00 C ATOM 564 CE LYS A 41 -9.925 -10.875 7.629 1.00 0.00 C ATOM 565 NZ LYS A 41 -11.332 -10.963 8.109 1.00 0.00 N ATOM 0 H LYS A 41 -5.570 -7.962 6.182 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.003 -6.658 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.666 -8.315 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.029 -7.357 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.284 -8.379 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.987 -9.558 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.485 -9.928 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.945 -8.991 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.913 -10.859 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.379 -11.765 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.777 -11.821 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.342 -11.004 9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.861 -10.126 7.790 1.00 0.00 H new ATOM 579 N PHE A 42 -5.882 -5.030 7.695 1.00 0.00 N ATOM 580 CA PHE A 42 -5.638 -3.769 8.385 1.00 0.00 C ATOM 581 C PHE A 42 -5.744 -2.592 7.420 1.00 0.00 C ATOM 582 O PHE A 42 -6.082 -1.478 7.818 1.00 0.00 O ATOM 583 CB PHE A 42 -4.255 -3.781 9.041 1.00 0.00 C ATOM 584 CG PHE A 42 -4.037 -2.647 10.001 1.00 0.00 C ATOM 585 CD1 PHE A 42 -4.456 -2.747 11.318 1.00 0.00 C ATOM 586 CD2 PHE A 42 -3.414 -1.481 9.587 1.00 0.00 C ATOM 587 CE1 PHE A 42 -4.257 -1.705 12.205 1.00 0.00 C ATOM 588 CE2 PHE A 42 -3.212 -0.436 10.469 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.635 -0.548 11.779 1.00 0.00 C ATOM 0 H PHE A 42 -5.048 -5.599 7.549 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.398 -3.653 9.157 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.121 -4.725 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.492 -3.740 8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.944 -3.649 11.656 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.082 -1.387 8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.587 -1.796 13.229 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.724 0.467 10.134 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.480 0.268 12.469 1.00 0.00 H new ATOM 599 N GLU A 43 -5.453 -2.849 6.148 1.00 0.00 N ATOM 600 CA GLU A 43 -5.515 -1.811 5.126 1.00 0.00 C ATOM 601 C GLU A 43 -6.942 -1.294 4.961 1.00 0.00 C ATOM 602 O GLU A 43 -7.158 -0.138 4.596 1.00 0.00 O ATOM 603 CB GLU A 43 -4.997 -2.347 3.790 1.00 0.00 C ATOM 604 CG GLU A 43 -4.520 -1.261 2.842 1.00 0.00 C ATOM 605 CD GLU A 43 -4.967 -1.496 1.412 1.00 0.00 C ATOM 606 OE1 GLU A 43 -5.073 -2.674 1.011 1.00 0.00 O ATOM 607 OE2 GLU A 43 -5.210 -0.503 0.695 1.00 0.00 O ATOM 0 H GLU A 43 -5.172 -3.766 5.801 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.882 -0.984 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.176 -3.038 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.789 -2.918 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.896 -0.296 3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.432 -1.208 2.874 1.00 0.00 H new ATOM 614 N THR A 44 -7.913 -2.160 5.231 1.00 0.00 N ATOM 615 CA THR A 44 -9.319 -1.794 5.111 1.00 0.00 C ATOM 616 C THR A 44 -9.688 -0.698 6.104 1.00 0.00 C ATOM 617 O THR A 44 -10.443 0.218 5.780 1.00 0.00 O ATOM 618 CB THR A 44 -10.238 -3.009 5.339 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.914 -4.049 4.410 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.700 -2.619 5.183 1.00 0.00 C ATOM 0 H THR A 44 -7.752 -3.120 5.534 1.00 0.00 H new ATOM 0 HA THR A 44 -9.464 -1.425 4.096 1.00 0.00 H new ATOM 0 HB THR A 44 -10.082 -3.369 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.501 -4.819 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.329 -3.493 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.951 -1.848 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.869 -2.236 4.177 1.00 0.00 H new ATOM 628 N SER A 45 -9.151 -0.799 7.316 1.00 0.00 N ATOM 629 CA SER A 45 -9.427 0.183 8.358 1.00 0.00 C ATOM 630 C SER A 45 -8.872 1.551 7.976 1.00 0.00 C ATOM 631 O SER A 45 -9.605 2.539 7.926 1.00 0.00 O ATOM 632 CB SER A 45 -8.824 -0.272 9.689 1.00 0.00 C ATOM 633 OG SER A 45 -9.032 -1.658 9.896 1.00 0.00 O ATOM 0 H SER A 45 -8.523 -1.551 7.600 1.00 0.00 H new ATOM 0 HA SER A 45 -10.508 0.267 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.756 -0.056 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.272 0.292 10.507 1.00 0.00 H new ATOM 0 HG SER A 45 -8.636 -1.924 10.752 1.00 0.00 H new ATOM 639 N VAL A 46 -7.571 1.601 7.708 1.00 0.00 N ATOM 640 CA VAL A 46 -6.916 2.848 7.330 1.00 0.00 C ATOM 641 C VAL A 46 -7.563 3.454 6.089 1.00 0.00 C ATOM 642 O VAL A 46 -7.674 4.674 5.968 1.00 0.00 O ATOM 643 CB VAL A 46 -5.415 2.633 7.060 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.212 1.606 5.957 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.745 3.951 6.702 1.00 0.00 C ATOM 0 H VAL A 46 -6.950 0.793 7.746 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.032 3.534 8.169 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.951 2.250 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.145 1.468 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.656 0.657 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.689 1.956 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.685 3.781 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.210 4.364 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.859 4.653 7.528 1.00 0.00 H new ATOM 655 N ARG A 47 -7.988 2.593 5.170 1.00 0.00 N ATOM 656 CA ARG A 47 -8.624 3.044 3.938 1.00 0.00 C ATOM 657 C ARG A 47 -10.016 3.603 4.217 1.00 0.00 C ATOM 658 O ARG A 47 -10.480 4.512 3.530 1.00 0.00 O ATOM 659 CB ARG A 47 -8.716 1.892 2.936 1.00 0.00 C ATOM 660 CG ARG A 47 -9.232 2.312 1.570 1.00 0.00 C ATOM 661 CD ARG A 47 -9.162 1.168 0.571 1.00 0.00 C ATOM 662 NE ARG A 47 -9.286 1.636 -0.807 1.00 0.00 N ATOM 663 CZ ARG A 47 -9.485 0.828 -1.843 1.00 0.00 C ATOM 664 NH1 ARG A 47 -9.583 -0.481 -1.657 1.00 0.00 N ATOM 665 NH2 ARG A 47 -9.587 1.329 -3.067 1.00 0.00 N ATOM 0 H ARG A 47 -7.904 1.580 5.255 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.012 3.839 3.512 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.730 1.443 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.371 1.121 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.263 2.656 1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.646 3.154 1.202 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.216 0.640 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.956 0.452 0.784 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.216 2.638 -0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.506 -0.870 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.736 -1.099 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.513 2.336 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.740 0.708 -3.861 1.00 0.00 H new ATOM 679 N ALA A 48 -10.677 3.051 5.229 1.00 0.00 N ATOM 680 CA ALA A 48 -12.015 3.495 5.600 1.00 0.00 C ATOM 681 C ALA A 48 -11.990 4.919 6.145 1.00 0.00 C ATOM 682 O ALA A 48 -12.980 5.646 6.058 1.00 0.00 O ATOM 683 CB ALA A 48 -12.621 2.547 6.624 1.00 0.00 C ATOM 0 H ALA A 48 -10.308 2.296 5.807 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.634 3.488 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.620 2.891 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.684 1.545 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.994 2.525 7.515 1.00 0.00 H new ATOM 689 N LYS A 49 -10.852 5.312 6.707 1.00 0.00 N ATOM 690 CA LYS A 49 -10.696 6.650 7.266 1.00 0.00 C ATOM 691 C LYS A 49 -10.702 7.704 6.164 1.00 0.00 C ATOM 692 O LYS A 49 -11.294 8.772 6.316 1.00 0.00 O ATOM 693 CB LYS A 49 -9.396 6.742 8.068 1.00 0.00 C ATOM 694 CG LYS A 49 -9.279 5.693 9.160 1.00 0.00 C ATOM 695 CD LYS A 49 -8.905 6.315 10.494 1.00 0.00 C ATOM 696 CE LYS A 49 -8.212 5.312 11.403 1.00 0.00 C ATOM 697 NZ LYS A 49 -8.008 5.854 12.775 1.00 0.00 N ATOM 0 H LYS A 49 -10.023 4.723 6.788 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.539 6.840 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.551 6.641 7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.326 7.732 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.226 5.162 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.527 4.956 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.249 7.170 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.802 6.693 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.807 4.400 11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.248 5.039 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.533 5.140 13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.419 6.710 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.929 6.091 13.195 1.00 0.00 H new ATOM 711 N ASN A 50 -10.040 7.397 5.054 1.00 0.00 N ATOM 712 CA ASN A 50 -9.970 8.318 3.925 1.00 0.00 C ATOM 713 C ASN A 50 -9.498 9.697 4.377 1.00 0.00 C ATOM 714 O ASN A 50 -10.053 10.718 3.970 1.00 0.00 O ATOM 715 CB ASN A 50 -11.336 8.431 3.246 1.00 0.00 C ATOM 716 CG ASN A 50 -11.240 8.998 1.843 1.00 0.00 C ATOM 717 OD1 ASN A 50 -11.148 10.211 1.657 1.00 0.00 O ATOM 718 ND2 ASN A 50 -11.259 8.119 0.848 1.00 0.00 N ATOM 0 H ASN A 50 -9.544 6.517 4.912 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.249 7.923 3.210 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.801 7.446 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.986 9.066 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.196 8.441 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.337 7.122 1.050 1.00 0.00 H new ATOM 725 N ASP A 51 -8.472 9.718 5.220 1.00 0.00 N ATOM 726 CA ASP A 51 -7.924 10.971 5.727 1.00 0.00 C ATOM 727 C ASP A 51 -6.745 11.432 4.875 1.00 0.00 C ATOM 728 O ASP A 51 -6.101 10.627 4.203 1.00 0.00 O ATOM 729 CB ASP A 51 -7.485 10.809 7.183 1.00 0.00 C ATOM 730 CG ASP A 51 -8.121 11.839 8.097 1.00 0.00 C ATOM 731 OD1 ASP A 51 -9.251 11.595 8.569 1.00 0.00 O ATOM 732 OD2 ASP A 51 -7.488 12.888 8.339 1.00 0.00 O ATOM 0 H ASP A 51 -8.003 8.882 5.567 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.706 11.729 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.747 9.809 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.400 10.894 7.244 1.00 0.00 H new ATOM 737 N GLN A 52 -6.469 12.732 4.910 1.00 0.00 N ATOM 738 CA GLN A 52 -5.369 13.299 4.140 1.00 0.00 C ATOM 739 C GLN A 52 -4.063 12.570 4.438 1.00 0.00 C ATOM 740 O GLN A 52 -3.261 12.320 3.538 1.00 0.00 O ATOM 741 CB GLN A 52 -5.217 14.789 4.450 1.00 0.00 C ATOM 742 CG GLN A 52 -4.858 15.630 3.235 1.00 0.00 C ATOM 743 CD GLN A 52 -6.031 15.826 2.294 1.00 0.00 C ATOM 744 OE1 GLN A 52 -7.122 16.212 2.715 1.00 0.00 O ATOM 745 NE2 GLN A 52 -5.812 15.560 1.012 1.00 0.00 N ATOM 0 H GLN A 52 -6.992 13.411 5.463 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.599 13.177 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.149 15.160 4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.446 14.917 5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.496 16.603 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.040 15.152 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.892 15.242 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.564 15.673 0.332 1.00 0.00 H new ATOM 754 N ARG A 53 -3.856 12.232 5.706 1.00 0.00 N ATOM 755 CA ARG A 53 -2.646 11.533 6.123 1.00 0.00 C ATOM 756 C ARG A 53 -2.548 10.167 5.449 1.00 0.00 C ATOM 757 O ARG A 53 -1.453 9.661 5.204 1.00 0.00 O ATOM 758 CB ARG A 53 -2.627 11.366 7.644 1.00 0.00 C ATOM 759 CG ARG A 53 -2.453 12.674 8.398 1.00 0.00 C ATOM 760 CD ARG A 53 -3.257 12.683 9.689 1.00 0.00 C ATOM 761 NE ARG A 53 -2.641 11.856 10.723 1.00 0.00 N ATOM 762 CZ ARG A 53 -1.548 12.208 11.391 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.953 13.365 11.134 1.00 0.00 N ATOM 764 NH2 ARG A 53 -1.047 11.401 12.318 1.00 0.00 N ATOM 0 H ARG A 53 -4.510 12.431 6.463 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.787 12.131 5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.557 10.895 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.818 10.689 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.398 12.828 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.768 13.504 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.350 13.707 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.266 12.323 9.490 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.074 10.959 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.334 13.988 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.114 13.632 11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.501 10.510 12.518 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.208 11.672 12.830 1.00 0.00 H new ATOM 778 N PHE A 54 -3.701 9.575 5.153 1.00 0.00 N ATOM 779 CA PHE A 54 -3.745 8.267 4.509 1.00 0.00 C ATOM 780 C PHE A 54 -4.371 8.366 3.121 1.00 0.00 C ATOM 781 O PHE A 54 -5.368 7.706 2.831 1.00 0.00 O ATOM 782 CB PHE A 54 -4.536 7.279 5.369 1.00 0.00 C ATOM 783 CG PHE A 54 -3.960 7.085 6.743 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.655 6.650 6.906 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.725 7.337 7.870 1.00 0.00 C ATOM 786 CE1 PHE A 54 -2.123 6.471 8.169 1.00 0.00 C ATOM 787 CE2 PHE A 54 -4.198 7.160 9.135 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.895 6.725 9.285 1.00 0.00 C ATOM 0 H PHE A 54 -4.616 9.980 5.349 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.722 7.907 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.563 7.631 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.574 6.316 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.047 6.449 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.745 7.676 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.104 6.133 8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.804 7.361 10.006 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.482 6.584 10.273 1.00 0.00 H new ATOM 798 N GLU A 55 -3.777 9.195 2.268 1.00 0.00 N ATOM 799 CA GLU A 55 -4.277 9.381 0.911 1.00 0.00 C ATOM 800 C GLU A 55 -3.463 8.560 -0.085 1.00 0.00 C ATOM 801 O GLU A 55 -3.997 8.059 -1.076 1.00 0.00 O ATOM 802 CB GLU A 55 -4.233 10.861 0.526 1.00 0.00 C ATOM 803 CG GLU A 55 -5.434 11.314 -0.287 1.00 0.00 C ATOM 804 CD GLU A 55 -5.238 12.685 -0.903 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.087 13.170 -0.915 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.234 13.274 -1.373 1.00 0.00 O ATOM 0 H GLU A 55 -2.950 9.748 2.493 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.311 9.036 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.171 11.462 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.325 11.052 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.627 10.589 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.316 11.330 0.353 1.00 0.00 H new ATOM 813 N PHE A 56 -2.169 8.428 0.183 1.00 0.00 N ATOM 814 CA PHE A 56 -1.280 7.670 -0.690 1.00 0.00 C ATOM 815 C PHE A 56 -1.780 6.239 -0.864 1.00 0.00 C ATOM 816 O PHE A 56 -1.501 5.591 -1.874 1.00 0.00 O ATOM 817 CB PHE A 56 0.141 7.661 -0.123 1.00 0.00 C ATOM 818 CG PHE A 56 0.210 7.230 1.315 1.00 0.00 C ATOM 819 CD1 PHE A 56 0.207 5.886 1.650 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.277 8.170 2.331 1.00 0.00 C ATOM 821 CE1 PHE A 56 0.271 5.486 2.971 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.341 7.776 3.654 1.00 0.00 C ATOM 823 CZ PHE A 56 0.337 6.433 3.975 1.00 0.00 C ATOM 0 H PHE A 56 -1.712 8.836 0.998 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.270 8.154 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.759 6.994 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.567 8.660 -0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.154 5.142 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.279 9.222 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.269 4.435 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.394 8.518 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.385 6.123 5.009 1.00 0.00 H new ATOM 833 N LEU A 57 -2.518 5.752 0.127 1.00 0.00 N ATOM 834 CA LEU A 57 -3.056 4.397 0.085 1.00 0.00 C ATOM 835 C LEU A 57 -4.109 4.263 -1.011 1.00 0.00 C ATOM 836 O LEU A 57 -4.335 3.174 -1.537 1.00 0.00 O ATOM 837 CB LEU A 57 -3.663 4.026 1.439 1.00 0.00 C ATOM 838 CG LEU A 57 -2.682 3.528 2.501 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.098 4.012 3.881 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.589 2.009 2.471 1.00 0.00 C ATOM 0 H LEU A 57 -2.758 6.275 0.969 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.237 3.714 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.182 4.900 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.416 3.254 1.278 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.696 3.936 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.388 3.648 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.111 5.102 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.093 3.634 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.886 1.672 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.572 1.580 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.242 1.685 1.490 1.00 0.00 H new ATOM 852 N GLN A 58 -4.748 5.378 -1.350 1.00 0.00 N ATOM 853 CA GLN A 58 -5.775 5.385 -2.384 1.00 0.00 C ATOM 854 C GLN A 58 -5.209 4.908 -3.718 1.00 0.00 C ATOM 855 O GLN A 58 -4.013 5.019 -3.988 1.00 0.00 O ATOM 856 CB GLN A 58 -6.363 6.789 -2.540 1.00 0.00 C ATOM 857 CG GLN A 58 -7.113 7.274 -1.310 1.00 0.00 C ATOM 858 CD GLN A 58 -8.330 6.425 -0.996 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.356 6.518 -1.670 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.221 5.592 0.032 1.00 0.00 N ATOM 0 H GLN A 58 -4.572 6.288 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.565 4.699 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.558 7.489 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -7.039 6.798 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.440 7.268 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.425 8.307 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.351 5.548 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.007 4.996 0.291 1.00 0.00 H new ATOM 869 N PRO A 59 -6.087 4.362 -4.572 1.00 0.00 N ATOM 870 CA PRO A 59 -5.697 3.856 -5.892 1.00 0.00 C ATOM 871 C PRO A 59 -5.311 4.977 -6.851 1.00 0.00 C ATOM 872 O PRO A 59 -4.272 4.913 -7.508 1.00 0.00 O ATOM 873 CB PRO A 59 -6.958 3.141 -6.384 1.00 0.00 C ATOM 874 CG PRO A 59 -8.078 3.806 -5.660 1.00 0.00 C ATOM 875 CD PRO A 59 -7.528 4.196 -4.317 1.00 0.00 C ATOM 0 HA PRO A 59 -4.819 3.212 -5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.072 3.238 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.921 2.075 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.431 4.681 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.928 3.132 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.980 5.118 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.717 3.428 -3.567 1.00 0.00 H new ATOM 883 N TRP A 60 -6.153 6.001 -6.926 1.00 0.00 N ATOM 884 CA TRP A 60 -5.899 7.136 -7.806 1.00 0.00 C ATOM 885 C TRP A 60 -4.560 7.788 -7.480 1.00 0.00 C ATOM 886 O TRP A 60 -3.859 8.269 -8.371 1.00 0.00 O ATOM 887 CB TRP A 60 -7.024 8.165 -7.683 1.00 0.00 C ATOM 888 CG TRP A 60 -7.131 8.768 -6.315 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.911 8.328 -5.284 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.436 9.922 -5.831 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.743 9.140 -4.188 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.842 10.124 -4.498 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.508 10.803 -6.393 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.353 11.171 -3.721 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -5.024 11.842 -5.621 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.446 12.019 -4.297 1.00 0.00 C ATOM 0 H TRP A 60 -7.017 6.069 -6.388 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.863 6.768 -8.831 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.861 8.960 -8.411 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.971 7.689 -7.938 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.564 7.469 -5.324 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.213 9.028 -3.290 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.175 10.674 -7.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.678 11.309 -2.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.308 12.530 -6.046 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.048 12.840 -3.720 1.00 0.00 H new ATOM 907 N HIS A 61 -4.209 7.801 -6.197 1.00 0.00 N ATOM 908 CA HIS A 61 -2.953 8.394 -5.754 1.00 0.00 C ATOM 909 C HIS A 61 -1.767 7.749 -6.466 1.00 0.00 C ATOM 910 O HIS A 61 -1.840 6.597 -6.892 1.00 0.00 O ATOM 911 CB HIS A 61 -2.798 8.243 -4.241 1.00 0.00 C ATOM 912 CG HIS A 61 -2.422 9.515 -3.546 1.00 0.00 C ATOM 913 ND1 HIS A 61 -1.163 10.072 -3.627 1.00 0.00 N ATOM 914 CD2 HIS A 61 -3.147 10.341 -2.757 1.00 0.00 C ATOM 915 CE1 HIS A 61 -1.130 11.185 -2.916 1.00 0.00 C ATOM 916 NE2 HIS A 61 -2.322 11.371 -2.378 1.00 0.00 N ATOM 0 H HIS A 61 -4.777 7.407 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.972 9.455 -6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.735 7.874 -3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.039 7.489 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.182 10.214 -2.477 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.274 11.833 -2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.587 12.153 -1.779 1.00 0.00 H new ATOM 924 N GLN A 62 -0.678 8.501 -6.591 1.00 0.00 N ATOM 925 CA GLN A 62 0.522 8.002 -7.252 1.00 0.00 C ATOM 926 C GLN A 62 1.454 7.326 -6.251 1.00 0.00 C ATOM 927 O GLN A 62 2.109 6.333 -6.570 1.00 0.00 O ATOM 928 CB GLN A 62 1.254 9.145 -7.957 1.00 0.00 C ATOM 929 CG GLN A 62 1.623 10.293 -7.031 1.00 0.00 C ATOM 930 CD GLN A 62 2.411 11.380 -7.736 1.00 0.00 C ATOM 931 OE1 GLN A 62 1.997 11.885 -8.780 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.553 11.747 -7.167 1.00 0.00 N ATOM 0 H GLN A 62 -0.602 9.457 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 62 0.217 7.263 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.161 8.755 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.626 9.526 -8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.714 10.723 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.209 9.908 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.858 11.302 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.126 12.474 -7.595 1.00 0.00 H new ATOM 941 N TYR A 63 1.508 7.869 -5.041 1.00 0.00 N ATOM 942 CA TYR A 63 2.362 7.320 -3.994 1.00 0.00 C ATOM 943 C TYR A 63 2.034 5.853 -3.736 1.00 0.00 C ATOM 944 O TYR A 63 2.881 5.086 -3.283 1.00 0.00 O ATOM 945 CB TYR A 63 2.203 8.124 -2.702 1.00 0.00 C ATOM 946 CG TYR A 63 2.752 9.530 -2.793 1.00 0.00 C ATOM 947 CD1 TYR A 63 3.973 9.782 -3.405 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.049 10.607 -2.266 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.479 11.065 -3.489 1.00 0.00 C ATOM 950 CE2 TYR A 63 2.546 11.893 -2.347 1.00 0.00 C ATOM 951 CZ TYR A 63 3.761 12.117 -2.959 1.00 0.00 C ATOM 952 OH TYR A 63 4.261 13.397 -3.041 1.00 0.00 O ATOM 0 H TYR A 63 0.971 8.689 -4.760 1.00 0.00 H new ATOM 0 HA TYR A 63 3.396 7.388 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.146 8.172 -2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.707 7.598 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.537 8.961 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.098 10.435 -1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.431 11.243 -3.967 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.986 12.719 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 63 3.633 14.021 -2.621 1.00 0.00 H new ATOM 962 N ASN A 64 0.795 5.470 -4.031 1.00 0.00 N ATOM 963 CA ASN A 64 0.353 4.095 -3.832 1.00 0.00 C ATOM 964 C ASN A 64 1.306 3.114 -4.506 1.00 0.00 C ATOM 965 O ASN A 64 1.470 1.981 -4.053 1.00 0.00 O ATOM 966 CB ASN A 64 -1.063 3.908 -4.383 1.00 0.00 C ATOM 967 CG ASN A 64 -1.648 2.556 -4.025 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.787 1.681 -4.880 1.00 0.00 O ATOM 969 ND2 ASN A 64 -1.996 2.379 -2.756 1.00 0.00 N ATOM 0 H ASN A 64 0.080 6.093 -4.408 1.00 0.00 H new ATOM 0 HA ASN A 64 0.349 3.892 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.709 4.695 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.046 4.018 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.396 1.490 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.863 3.132 -2.081 1.00 0.00 H new ATOM 976 N ALA A 65 1.935 3.557 -5.590 1.00 0.00 N ATOM 977 CA ALA A 65 2.874 2.720 -6.324 1.00 0.00 C ATOM 978 C ALA A 65 4.080 2.360 -5.462 1.00 0.00 C ATOM 979 O ALA A 65 4.595 1.244 -5.532 1.00 0.00 O ATOM 980 CB ALA A 65 3.324 3.422 -7.597 1.00 0.00 C ATOM 0 H ALA A 65 1.810 4.492 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 65 2.364 1.795 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.026 2.785 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.458 3.622 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.811 4.363 -7.341 1.00 0.00 H new ATOM 986 N TYR A 66 4.525 3.312 -4.650 1.00 0.00 N ATOM 987 CA TYR A 66 5.672 3.097 -3.777 1.00 0.00 C ATOM 988 C TYR A 66 5.297 2.211 -2.593 1.00 0.00 C ATOM 989 O TYR A 66 6.096 1.393 -2.136 1.00 0.00 O ATOM 990 CB TYR A 66 6.216 4.435 -3.274 1.00 0.00 C ATOM 991 CG TYR A 66 7.379 4.296 -2.319 1.00 0.00 C ATOM 992 CD1 TYR A 66 8.683 4.197 -2.790 1.00 0.00 C ATOM 993 CD2 TYR A 66 7.176 4.265 -0.944 1.00 0.00 C ATOM 994 CE1 TYR A 66 9.749 4.068 -1.920 1.00 0.00 C ATOM 995 CE2 TYR A 66 8.236 4.139 -0.068 1.00 0.00 C ATOM 996 CZ TYR A 66 9.520 4.040 -0.561 1.00 0.00 C ATOM 997 OH TYR A 66 10.579 3.914 0.309 1.00 0.00 O ATOM 0 H TYR A 66 4.109 4.240 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 66 6.446 2.592 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.529 5.035 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.413 4.981 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.866 4.221 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.172 4.341 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.756 3.990 -2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.060 4.118 0.997 1.00 0.00 H new ATOM 0 HH TYR A 66 10.247 3.912 1.231 1.00 0.00 H new ATOM 1007 N TYR A 67 4.074 2.379 -2.101 1.00 0.00 N ATOM 1008 CA TYR A 67 3.591 1.597 -0.969 1.00 0.00 C ATOM 1009 C TYR A 67 3.476 0.121 -1.337 1.00 0.00 C ATOM 1010 O TYR A 67 3.843 -0.755 -0.554 1.00 0.00 O ATOM 1011 CB TYR A 67 2.235 2.125 -0.499 1.00 0.00 C ATOM 1012 CG TYR A 67 1.578 1.257 0.551 1.00 0.00 C ATOM 1013 CD1 TYR A 67 2.134 1.122 1.816 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.400 0.573 0.276 1.00 0.00 C ATOM 1015 CE1 TYR A 67 1.538 0.330 2.778 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.204 -0.220 1.232 1.00 0.00 C ATOM 1017 CZ TYR A 67 0.369 -0.339 2.481 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.229 -1.129 3.437 1.00 0.00 O ATOM 0 H TYR A 67 3.399 3.050 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 67 4.312 1.695 -0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.365 3.130 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.569 2.208 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.049 1.645 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.051 0.663 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.985 0.235 3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.120 -0.744 1.003 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.044 -1.529 3.068 1.00 0.00 H new ATOM 1028 N GLU A 68 2.962 -0.145 -2.534 1.00 0.00 N ATOM 1029 CA GLU A 68 2.797 -1.515 -3.006 1.00 0.00 C ATOM 1030 C GLU A 68 4.139 -2.240 -3.051 1.00 0.00 C ATOM 1031 O GLU A 68 4.201 -3.463 -2.924 1.00 0.00 O ATOM 1032 CB GLU A 68 2.153 -1.526 -4.394 1.00 0.00 C ATOM 1033 CG GLU A 68 0.637 -1.629 -4.360 1.00 0.00 C ATOM 1034 CD GLU A 68 0.119 -2.844 -5.106 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.515 -3.036 -6.274 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -0.682 -3.602 -4.521 1.00 0.00 O ATOM 0 H GLU A 68 2.653 0.569 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 68 2.144 -2.037 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.435 -0.616 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.553 -2.364 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.303 -1.674 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.205 -0.728 -4.796 1.00 0.00 H new ATOM 1043 N PHE A 69 5.212 -1.477 -3.231 1.00 0.00 N ATOM 1044 CA PHE A 69 6.553 -2.046 -3.295 1.00 0.00 C ATOM 1045 C PHE A 69 7.113 -2.276 -1.894 1.00 0.00 C ATOM 1046 O PHE A 69 7.875 -3.215 -1.664 1.00 0.00 O ATOM 1047 CB PHE A 69 7.485 -1.123 -4.083 1.00 0.00 C ATOM 1048 CG PHE A 69 8.873 -1.671 -4.248 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.163 -2.564 -5.267 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.889 -1.294 -3.384 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.440 -3.071 -5.420 1.00 0.00 C ATOM 1052 CE2 PHE A 69 11.167 -1.797 -3.532 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.443 -2.686 -4.553 1.00 0.00 C ATOM 0 H PHE A 69 5.179 -0.463 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 69 6.489 -3.007 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.055 -0.941 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.541 -0.159 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.383 -2.867 -5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.679 -0.598 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.653 -3.768 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.949 -1.496 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.442 -3.079 -4.673 1.00 0.00 H new ATOM 1063 N LYS A 70 6.729 -1.412 -0.961 1.00 0.00 N ATOM 1064 CA LYS A 70 7.191 -1.519 0.418 1.00 0.00 C ATOM 1065 C LYS A 70 6.427 -2.609 1.164 1.00 0.00 C ATOM 1066 O LYS A 70 6.964 -3.249 2.069 1.00 0.00 O ATOM 1067 CB LYS A 70 7.023 -0.180 1.140 1.00 0.00 C ATOM 1068 CG LYS A 70 8.310 0.347 1.751 1.00 0.00 C ATOM 1069 CD LYS A 70 9.389 0.539 0.699 1.00 0.00 C ATOM 1070 CE LYS A 70 10.520 -0.464 0.871 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.303 -0.636 -0.383 1.00 0.00 N ATOM 0 H LYS A 70 6.099 -0.629 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 70 8.248 -1.786 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.636 0.557 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.276 -0.292 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.115 1.296 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.663 -0.348 2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.953 0.431 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.786 1.552 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.182 -0.131 1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.109 -1.426 1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.105 -1.275 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.692 -1.042 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.660 0.288 -0.699 1.00 0.00 H new ATOM 1085 N LYS A 71 5.173 -2.817 0.778 1.00 0.00 N ATOM 1086 CA LYS A 71 4.336 -3.832 1.407 1.00 0.00 C ATOM 1087 C LYS A 71 4.879 -5.231 1.134 1.00 0.00 C ATOM 1088 O LYS A 71 5.016 -6.042 2.049 1.00 0.00 O ATOM 1089 CB LYS A 71 2.897 -3.723 0.898 1.00 0.00 C ATOM 1090 CG LYS A 71 1.898 -4.515 1.724 1.00 0.00 C ATOM 1091 CD LYS A 71 0.506 -3.912 1.643 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.148 -4.198 0.300 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.127 -5.317 0.386 1.00 0.00 N ATOM 0 H LYS A 71 4.713 -2.296 0.032 1.00 0.00 H new ATOM 0 HA LYS A 71 4.348 -3.661 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.601 -2.674 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.858 -4.070 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.870 -5.546 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.224 -4.542 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.114 -4.315 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.565 -2.835 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.653 -3.300 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.620 -4.443 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.257 -5.738 -0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.771 -6.040 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.039 -4.955 0.732 1.00 0.00 H new ATOM 1107 N GLN A 72 5.187 -5.504 -0.130 1.00 0.00 N ATOM 1108 CA GLN A 72 5.715 -6.806 -0.522 1.00 0.00 C ATOM 1109 C GLN A 72 7.061 -7.071 0.145 1.00 0.00 C ATOM 1110 O GLN A 72 7.388 -8.211 0.475 1.00 0.00 O ATOM 1111 CB GLN A 72 5.863 -6.882 -2.043 1.00 0.00 C ATOM 1112 CG GLN A 72 5.224 -8.118 -2.655 1.00 0.00 C ATOM 1113 CD GLN A 72 4.951 -7.960 -4.138 1.00 0.00 C ATOM 1114 OE1 GLN A 72 3.841 -8.215 -4.607 1.00 0.00 O ATOM 1115 NE2 GLN A 72 5.964 -7.537 -4.885 1.00 0.00 N ATOM 0 H GLN A 72 5.080 -4.842 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 72 5.010 -7.570 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.415 -5.993 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.923 -6.867 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.878 -8.976 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.289 -8.333 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.867 -7.338 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.839 -7.411 -5.890 1.00 0.00 H new ATOM 1124 N PHE A 73 7.837 -6.010 0.342 1.00 0.00 N ATOM 1125 CA PHE A 73 9.148 -6.128 0.970 1.00 0.00 C ATOM 1126 C PHE A 73 9.029 -6.723 2.370 1.00 0.00 C ATOM 1127 O PHE A 73 9.498 -7.831 2.628 1.00 0.00 O ATOM 1128 CB PHE A 73 9.828 -4.759 1.040 1.00 0.00 C ATOM 1129 CG PHE A 73 11.166 -4.790 1.723 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.226 -5.489 1.168 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.363 -4.119 2.919 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.458 -5.518 1.793 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.593 -4.145 3.549 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.642 -4.846 2.986 1.00 0.00 C ATOM 0 H PHE A 73 7.581 -5.059 0.076 1.00 0.00 H new ATOM 0 HA PHE A 73 9.756 -6.797 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.954 -4.372 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.175 -4.064 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.088 -6.017 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.547 -3.570 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.276 -6.066 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.734 -3.618 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.604 -4.869 3.477 1.00 0.00 H new ATOM 1144 N PHE A 74 8.399 -5.976 3.272 1.00 0.00 N ATOM 1145 CA PHE A 74 8.220 -6.428 4.647 1.00 0.00 C ATOM 1146 C PHE A 74 7.419 -7.726 4.693 1.00 0.00 C ATOM 1147 O PHE A 74 7.616 -8.559 5.578 1.00 0.00 O ATOM 1148 CB PHE A 74 7.513 -5.350 5.471 1.00 0.00 C ATOM 1149 CG PHE A 74 8.385 -4.169 5.787 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.431 -4.285 6.688 1.00 0.00 C ATOM 1151 CD2 PHE A 74 8.158 -2.943 5.183 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.234 -3.199 6.981 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.959 -1.853 5.472 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.999 -1.982 6.371 1.00 0.00 C ATOM 0 H PHE A 74 8.005 -5.056 3.075 1.00 0.00 H new ATOM 0 HA PHE A 74 9.206 -6.615 5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.633 -5.007 4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.159 -5.790 6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.621 -5.234 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.346 -2.837 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.045 -3.302 7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.771 -0.902 4.995 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.627 -1.133 6.597 1.00 0.00 H new ATOM 1164 N LEU A 75 6.515 -7.891 3.733 1.00 0.00 N ATOM 1165 CA LEU A 75 5.684 -9.088 3.663 1.00 0.00 C ATOM 1166 C LEU A 75 6.543 -10.348 3.651 1.00 0.00 C ATOM 1167 O LEU A 75 6.531 -11.127 4.604 1.00 0.00 O ATOM 1168 CB LEU A 75 4.801 -9.046 2.415 1.00 0.00 C ATOM 1169 CG LEU A 75 3.332 -8.689 2.643 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.685 -8.234 1.344 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.579 -9.875 3.229 1.00 0.00 C ATOM 0 H LEU A 75 6.339 -7.211 2.993 1.00 0.00 H new ATOM 0 HA LEU A 75 5.050 -9.113 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.226 -8.323 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.846 -10.021 1.930 1.00 0.00 H new ATOM 0 HG LEU A 75 3.285 -7.866 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.640 -7.984 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.207 -7.355 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.743 -9.036 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.535 -9.602 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.635 -10.718 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.027 -10.155 4.182 1.00 0.00 H new ATOM 1183 N GLN A 76 7.287 -10.540 2.567 1.00 0.00 N ATOM 1184 CA GLN A 76 8.154 -11.705 2.433 1.00 0.00 C ATOM 1185 C GLN A 76 9.490 -11.473 3.129 1.00 0.00 C ATOM 1186 O GLN A 76 9.821 -12.150 4.103 1.00 0.00 O ATOM 1187 CB GLN A 76 8.384 -12.028 0.956 1.00 0.00 C ATOM 1188 CG GLN A 76 7.453 -13.101 0.415 1.00 0.00 C ATOM 1189 CD GLN A 76 8.138 -14.444 0.259 1.00 0.00 C ATOM 1190 OE1 GLN A 76 8.178 -15.247 1.192 1.00 0.00 O ATOM 1191 NE2 GLN A 76 8.684 -14.696 -0.926 1.00 0.00 N ATOM 0 H GLN A 76 7.307 -9.905 1.769 1.00 0.00 H new ATOM 0 HA GLN A 76 7.659 -12.551 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.256 -11.118 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.416 -12.352 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.600 -13.208 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.061 -12.783 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.627 -14.002 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.160 -15.583 -1.090 1.00 0.00 H new ATOM 1200 N LYS A 77 10.256 -10.512 2.624 1.00 0.00 N ATOM 1201 CA LYS A 77 11.557 -10.189 3.197 1.00 0.00 C ATOM 1202 C LYS A 77 12.469 -11.412 3.200 1.00 0.00 C ATOM 1203 O LYS A 77 12.432 -12.222 4.125 1.00 0.00 O ATOM 1204 CB LYS A 77 11.392 -9.659 4.623 1.00 0.00 C ATOM 1205 CG LYS A 77 12.694 -9.199 5.255 1.00 0.00 C ATOM 1206 CD LYS A 77 13.205 -7.920 4.613 1.00 0.00 C ATOM 1207 CE LYS A 77 14.424 -7.378 5.344 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.068 -6.814 6.675 1.00 0.00 N ATOM 0 H LYS A 77 9.998 -9.943 1.818 1.00 0.00 H new ATOM 0 HA LYS A 77 12.016 -9.417 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.689 -8.826 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.953 -10.440 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.544 -9.036 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.445 -9.983 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.460 -8.111 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.415 -7.169 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.155 -8.176 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.897 -6.606 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.887 -6.306 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.270 -6.156 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.799 -7.586 7.318 1.00 0.00 H new ATOM 1222 N GLU A 78 13.288 -11.536 2.160 1.00 0.00 N ATOM 1223 CA GLU A 78 14.210 -12.661 2.046 1.00 0.00 C ATOM 1224 C GLU A 78 15.645 -12.218 2.317 1.00 0.00 C ATOM 1225 O GLU A 78 16.593 -12.776 1.768 1.00 0.00 O ATOM 1226 CB GLU A 78 14.113 -13.288 0.653 1.00 0.00 C ATOM 1227 CG GLU A 78 13.934 -14.796 0.676 1.00 0.00 C ATOM 1228 CD GLU A 78 12.747 -15.255 -0.148 1.00 0.00 C ATOM 1229 OE1 GLU A 78 12.910 -15.439 -1.372 1.00 0.00 O ATOM 1230 OE2 GLU A 78 11.654 -15.431 0.431 1.00 0.00 O ATOM 0 H GLU A 78 13.332 -10.873 1.386 1.00 0.00 H new ATOM 0 HA GLU A 78 13.930 -13.404 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.275 -12.839 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.015 -13.046 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.839 -15.271 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.806 -15.127 1.707 1.00 0.00 H new ATOM 1237 N GLY A 79 15.795 -11.208 3.170 1.00 0.00 N ATOM 1238 CA GLY A 79 17.116 -10.706 3.500 1.00 0.00 C ATOM 1239 C GLY A 79 17.330 -10.576 4.995 1.00 0.00 C ATOM 1240 O GLY A 79 17.908 -9.596 5.463 1.00 0.00 O ATOM 0 H GLY A 79 15.025 -10.729 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.870 -11.375 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.260 -9.733 3.030 1.00 0.00 H new ATOM 1244 N GLY A 80 16.860 -11.566 5.747 1.00 0.00 N ATOM 1245 CA GLY A 80 17.012 -11.537 7.190 1.00 0.00 C ATOM 1246 C GLY A 80 18.036 -12.538 7.686 1.00 0.00 C ATOM 1247 O GLY A 80 19.176 -12.176 7.980 1.00 0.00 O ATOM 0 H GLY A 80 16.377 -12.387 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.308 -10.535 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.050 -11.745 7.658 1.00 0.00 H new ATOM 1251 N ASP A 81 17.631 -13.800 7.781 1.00 0.00 N ATOM 1252 CA ASP A 81 18.523 -14.856 8.245 1.00 0.00 C ATOM 1253 C ASP A 81 18.076 -16.216 7.717 1.00 0.00 C ATOM 1254 O ASP A 81 17.051 -16.751 8.139 1.00 0.00 O ATOM 1255 CB ASP A 81 18.568 -14.879 9.774 1.00 0.00 C ATOM 1256 CG ASP A 81 19.432 -16.004 10.311 1.00 0.00 C ATOM 1257 OD1 ASP A 81 18.906 -17.122 10.489 1.00 0.00 O ATOM 1258 OD2 ASP A 81 20.634 -15.765 10.552 1.00 0.00 O ATOM 0 H ASP A 81 16.691 -14.116 7.543 1.00 0.00 H new ATOM 0 HA ASP A 81 19.522 -14.648 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 81 18.951 -13.925 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.555 -14.985 10.163 1.00 0.00 H new ATOM 1263 N SER A 82 18.852 -16.769 6.790 1.00 0.00 N ATOM 1264 CA SER A 82 18.534 -18.063 6.200 1.00 0.00 C ATOM 1265 C SER A 82 19.701 -18.581 5.363 1.00 0.00 C ATOM 1266 O SER A 82 20.517 -17.803 4.869 1.00 0.00 O ATOM 1267 CB SER A 82 17.278 -17.958 5.333 1.00 0.00 C ATOM 1268 OG SER A 82 17.277 -18.942 4.314 1.00 0.00 O ATOM 0 H SER A 82 19.705 -16.340 6.432 1.00 0.00 H new ATOM 0 HA SER A 82 18.350 -18.768 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.391 -18.075 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.224 -16.966 4.885 1.00 0.00 H new ATOM 0 HG SER A 82 16.463 -18.854 3.775 1.00 0.00 H new ATOM 1274 N MET A 83 19.771 -19.899 5.209 1.00 0.00 N ATOM 1275 CA MET A 83 20.837 -20.521 4.432 1.00 0.00 C ATOM 1276 C MET A 83 20.269 -21.257 3.223 1.00 0.00 C ATOM 1277 O MET A 83 19.980 -22.452 3.293 1.00 0.00 O ATOM 1278 CB MET A 83 21.635 -21.490 5.305 1.00 0.00 C ATOM 1279 CG MET A 83 22.898 -20.881 5.892 1.00 0.00 C ATOM 1280 SD MET A 83 23.664 -21.934 7.139 1.00 0.00 S ATOM 1281 CE MET A 83 25.014 -22.644 6.200 1.00 0.00 C ATOM 0 H MET A 83 19.103 -20.556 5.611 1.00 0.00 H new ATOM 0 HA MET A 83 21.501 -19.733 4.077 1.00 0.00 H new ATOM 0 HB2 MET A 83 20.999 -21.841 6.118 1.00 0.00 H new ATOM 0 HB3 MET A 83 21.905 -22.363 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 83 23.613 -20.695 5.091 1.00 0.00 H new ATOM 0 HG3 MET A 83 22.658 -19.915 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 83 25.584 -23.321 6.837 1.00 0.00 H new ATOM 0 HE2 MET A 83 24.615 -23.196 5.349 1.00 0.00 H new ATOM 0 HE3 MET A 83 25.666 -21.848 5.842 1.00 0.00 H new ATOM 1291 N GLN A 84 20.111 -20.537 2.117 1.00 0.00 N ATOM 1292 CA GLN A 84 19.577 -21.123 0.894 1.00 0.00 C ATOM 1293 C GLN A 84 19.691 -20.148 -0.273 1.00 0.00 C ATOM 1294 O GLN A 84 19.269 -18.995 -0.174 1.00 0.00 O ATOM 1295 CB GLN A 84 18.115 -21.529 1.094 1.00 0.00 C ATOM 1296 CG GLN A 84 17.772 -22.882 0.493 1.00 0.00 C ATOM 1297 CD GLN A 84 17.070 -22.765 -0.846 1.00 0.00 C ATOM 1298 OE1 GLN A 84 16.155 -21.958 -1.012 1.00 0.00 O ATOM 1299 NE2 GLN A 84 17.497 -23.571 -1.811 1.00 0.00 N ATOM 0 H GLN A 84 20.345 -19.547 2.043 1.00 0.00 H new ATOM 0 HA GLN A 84 20.165 -22.011 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 84 17.895 -21.548 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.472 -20.770 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.686 -23.463 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 84 17.135 -23.432 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.259 -24.225 -1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.063 -23.536 -2.734 1.00 0.00 H new ATOM 1308 N ALA A 85 20.264 -20.617 -1.376 1.00 0.00 N ATOM 1309 CA ALA A 85 20.432 -19.786 -2.562 1.00 0.00 C ATOM 1310 C ALA A 85 19.959 -20.516 -3.815 1.00 0.00 C ATOM 1311 O ALA A 85 19.723 -21.724 -3.790 1.00 0.00 O ATOM 1312 CB ALA A 85 21.886 -19.366 -2.711 1.00 0.00 C ATOM 0 H ALA A 85 20.620 -21.568 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 85 19.819 -18.893 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.996 -18.746 -3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.192 -18.798 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 85 22.513 -20.253 -2.807 1.00 0.00 H new ATOM 1318 N VAL A 86 19.822 -19.774 -4.910 1.00 0.00 N ATOM 1319 CA VAL A 86 19.378 -20.351 -6.173 1.00 0.00 C ATOM 1320 C VAL A 86 20.232 -19.855 -7.334 1.00 0.00 C ATOM 1321 O VAL A 86 20.979 -18.885 -7.199 1.00 0.00 O ATOM 1322 CB VAL A 86 17.902 -20.015 -6.456 1.00 0.00 C ATOM 1323 CG1 VAL A 86 16.999 -20.662 -5.417 1.00 0.00 C ATOM 1324 CG2 VAL A 86 17.696 -18.508 -6.489 1.00 0.00 C ATOM 0 H VAL A 86 20.012 -18.773 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 86 19.486 -21.432 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 86 17.637 -20.417 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.960 -20.414 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 86 17.127 -21.744 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 86 17.262 -20.293 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.647 -18.288 -6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.978 -18.081 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 86 18.315 -18.073 -7.274 1.00 0.00 H new ATOM 1334 N SER A 87 20.117 -20.526 -8.476 1.00 0.00 N ATOM 1335 CA SER A 87 20.881 -20.155 -9.661 1.00 0.00 C ATOM 1336 C SER A 87 19.998 -20.175 -10.905 1.00 0.00 C ATOM 1337 O SER A 87 18.848 -20.609 -10.856 1.00 0.00 O ATOM 1338 CB SER A 87 22.066 -21.105 -9.848 1.00 0.00 C ATOM 1339 OG SER A 87 23.145 -20.453 -10.494 1.00 0.00 O ATOM 0 H SER A 87 19.502 -21.329 -8.605 1.00 0.00 H new ATOM 0 HA SER A 87 21.256 -19.141 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.392 -21.480 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.755 -21.969 -10.436 1.00 0.00 H new ATOM 0 HG SER A 87 23.890 -21.081 -10.600 1.00 0.00 H new ATOM 1345 N ALA A 88 20.545 -19.700 -12.019 1.00 0.00 N ATOM 1346 CA ALA A 88 19.809 -19.665 -13.277 1.00 0.00 C ATOM 1347 C ALA A 88 20.741 -19.385 -14.451 1.00 0.00 C ATOM 1348 O ALA A 88 21.835 -18.842 -14.291 1.00 0.00 O ATOM 1349 CB ALA A 88 18.707 -18.618 -13.214 1.00 0.00 C ATOM 0 H ALA A 88 21.495 -19.334 -12.076 1.00 0.00 H new ATOM 0 HA ALA A 88 19.357 -20.644 -13.432 1.00 0.00 H new ATOM 0 HB1 ALA A 88 18.165 -18.602 -14.160 1.00 0.00 H new ATOM 0 HB2 ALA A 88 18.018 -18.863 -12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 88 19.147 -17.637 -13.032 1.00 0.00 H new ATOM 1355 N PRO A 89 20.302 -19.763 -15.660 1.00 0.00 N ATOM 1356 CA PRO A 89 21.082 -19.563 -16.885 1.00 0.00 C ATOM 1357 C PRO A 89 21.183 -18.092 -17.274 1.00 0.00 C ATOM 1358 O PRO A 89 20.758 -17.213 -16.525 1.00 0.00 O ATOM 1359 CB PRO A 89 20.293 -20.343 -17.940 1.00 0.00 C ATOM 1360 CG PRO A 89 18.896 -20.370 -17.424 1.00 0.00 C ATOM 1361 CD PRO A 89 19.009 -20.416 -15.925 1.00 0.00 C ATOM 0 HA PRO A 89 22.113 -19.898 -16.771 1.00 0.00 H new ATOM 0 HB2 PRO A 89 20.346 -19.857 -18.914 1.00 0.00 H new ATOM 0 HB3 PRO A 89 20.688 -21.351 -18.065 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.344 -19.488 -17.747 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.357 -21.239 -17.802 1.00 0.00 H new ATOM 0 HD2 PRO A 89 18.186 -19.888 -15.444 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.992 -21.440 -15.552 1.00 0.00 H new ATOM 1369 N GLU A 90 21.747 -17.833 -18.450 1.00 0.00 N ATOM 1370 CA GLU A 90 21.903 -16.467 -18.937 1.00 0.00 C ATOM 1371 C GLU A 90 20.569 -15.907 -19.422 1.00 0.00 C ATOM 1372 O GLU A 90 20.372 -14.693 -19.463 1.00 0.00 O ATOM 1373 CB GLU A 90 22.930 -16.420 -20.069 1.00 0.00 C ATOM 1374 CG GLU A 90 24.369 -16.373 -19.584 1.00 0.00 C ATOM 1375 CD GLU A 90 25.330 -17.054 -20.539 1.00 0.00 C ATOM 1376 OE1 GLU A 90 24.966 -18.115 -21.090 1.00 0.00 O ATOM 1377 OE2 GLU A 90 26.445 -16.528 -20.736 1.00 0.00 O ATOM 0 H GLU A 90 22.103 -18.550 -19.082 1.00 0.00 H new ATOM 0 HA GLU A 90 22.257 -15.852 -18.110 1.00 0.00 H new ATOM 0 HB2 GLU A 90 22.798 -17.296 -20.704 1.00 0.00 H new ATOM 0 HB3 GLU A 90 22.736 -15.545 -20.689 1.00 0.00 H new ATOM 0 HG2 GLU A 90 24.670 -15.334 -19.452 1.00 0.00 H new ATOM 0 HG3 GLU A 90 24.435 -16.851 -18.607 1.00 0.00 H new TER 1384 GLU A 90