USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 822 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 30 TYR OH : rot -93:sc= 0.764 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0.159 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 63 SER OG : rot -68:sc= 0.422 USER MOD Single : A 1 SER N :NH3+ 165:sc= 0.0864 (180deg=-0.247) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.025 (180deg=-0.407) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -14:sc= 0.635 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 131:sc= 0.369 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0379 (180deg=-0.461) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.0669 (180deg=-0.533) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.532 USER MOD Single : A 54 SER OG : rot 139:sc= -0.263 USER MOD Single : A 55 SER OG : rot 133:sc= 0.391 USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0195 (180deg=-0.322) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 61 GLN : amide:sc= -0.48 K(o=-0.48,f=-1.2) USER MOD Single : A 70 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.9!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 170:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -84:sc= -1.28! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.37 K(o=-2.4,f=-4.4!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 101 HIS : no HE2:sc= -0.0554 X(o=-0.055,f=-0.51) USER MOD Single : A 102 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-1.9) USER MOD Single : A 103 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-1.6!) USER MOD Single : A 104 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.025) USER MOD Single : A 105 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.49) USER MOD Single : A 106 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.829 0.821 -3.860 1.00 0.00 N ATOM 2 CA SER A 1 -10.159 0.831 -2.530 1.00 0.00 C ATOM 3 C SER A 1 -10.032 -0.610 -2.035 1.00 0.00 C ATOM 4 O SER A 1 -9.737 -0.866 -0.885 1.00 0.00 O ATOM 5 CB SER A 1 -10.987 1.660 -1.547 1.00 0.00 C ATOM 6 OG SER A 1 -12.350 1.264 -1.616 1.00 0.00 O ATOM 0 H1 SER A 1 -11.150 1.782 -4.094 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.158 0.494 -4.584 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.647 0.180 -3.832 1.00 0.00 H new ATOM 0 HA SER A 1 -9.167 1.276 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.610 1.524 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.894 2.720 -1.782 1.00 0.00 H new ATOM 0 HG SER A 1 -12.878 1.796 -0.984 1.00 0.00 H new ATOM 14 N ASP A 2 -10.253 -1.549 -2.917 1.00 0.00 N ATOM 15 CA ASP A 2 -10.157 -2.993 -2.550 1.00 0.00 C ATOM 16 C ASP A 2 -8.697 -3.382 -2.329 1.00 0.00 C ATOM 17 O ASP A 2 -7.792 -2.828 -2.922 1.00 0.00 O ATOM 18 CB ASP A 2 -10.746 -3.853 -3.677 1.00 0.00 C ATOM 19 CG ASP A 2 -12.273 -3.728 -3.688 1.00 0.00 C ATOM 20 OD1 ASP A 2 -12.820 -3.241 -2.712 1.00 0.00 O ATOM 21 OD2 ASP A 2 -12.871 -4.128 -4.674 1.00 0.00 O ATOM 0 H ASP A 2 -10.500 -1.374 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.717 -3.161 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.340 -3.536 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.459 -4.895 -3.538 1.00 0.00 H new ATOM 26 N LEU A 3 -8.474 -4.333 -1.465 1.00 0.00 N ATOM 27 CA LEU A 3 -7.089 -4.782 -1.167 1.00 0.00 C ATOM 28 C LEU A 3 -6.526 -5.560 -2.349 1.00 0.00 C ATOM 29 O LEU A 3 -7.118 -6.502 -2.833 1.00 0.00 O ATOM 30 CB LEU A 3 -7.111 -5.673 0.083 1.00 0.00 C ATOM 31 CG LEU A 3 -5.714 -6.256 0.337 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.685 -5.121 0.433 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.730 -7.047 1.645 1.00 0.00 C ATOM 0 H LEU A 3 -9.203 -4.823 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.455 -3.914 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.435 -5.093 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.832 -6.480 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.440 -6.915 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.696 -5.541 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.676 -4.558 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.952 -4.456 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.740 -7.464 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.005 -6.386 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.456 -7.856 1.572 1.00 0.00 H new ATOM 45 N VAL A 4 -5.369 -5.163 -2.807 1.00 0.00 N ATOM 46 CA VAL A 4 -4.725 -5.856 -3.962 1.00 0.00 C ATOM 47 C VAL A 4 -3.220 -5.993 -3.729 1.00 0.00 C ATOM 48 O VAL A 4 -2.639 -5.340 -2.884 1.00 0.00 O ATOM 49 CB VAL A 4 -4.970 -5.052 -5.237 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.471 -4.979 -5.513 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.408 -3.635 -5.076 1.00 0.00 C ATOM 0 H VAL A 4 -4.837 -4.380 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.158 -6.851 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.469 -5.542 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.646 -4.405 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.867 -5.987 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.972 -4.493 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.586 -3.067 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.901 -3.141 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.336 -3.688 -4.885 1.00 0.00 H new ATOM 61 N LYS A 5 -2.597 -6.849 -4.488 1.00 0.00 N ATOM 62 CA LYS A 5 -1.131 -7.078 -4.358 1.00 0.00 C ATOM 63 C LYS A 5 -0.357 -5.932 -5.011 1.00 0.00 C ATOM 64 O LYS A 5 -0.791 -5.332 -5.974 1.00 0.00 O ATOM 65 CB LYS A 5 -0.763 -8.406 -5.023 1.00 0.00 C ATOM 66 CG LYS A 5 -1.346 -9.559 -4.202 1.00 0.00 C ATOM 67 CD LYS A 5 -0.984 -10.897 -4.854 1.00 0.00 C ATOM 68 CE LYS A 5 -1.481 -12.049 -3.975 1.00 0.00 C ATOM 69 NZ LYS A 5 -2.967 -11.988 -3.865 1.00 0.00 N ATOM 0 H LYS A 5 -3.051 -7.411 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.866 -7.117 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.151 -8.436 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.320 -8.504 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.959 -9.524 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.429 -9.458 -4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.433 -10.963 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.096 -10.968 -4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.177 -13.004 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.030 -11.985 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.328 -12.902 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.235 -11.239 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.376 -11.780 -4.798 1.00 0.00 H new ATOM 83 N ILE A 6 0.791 -5.634 -4.474 1.00 0.00 N ATOM 84 CA ILE A 6 1.630 -4.524 -5.002 1.00 0.00 C ATOM 85 C ILE A 6 1.987 -4.795 -6.458 1.00 0.00 C ATOM 86 O ILE A 6 2.029 -3.899 -7.278 1.00 0.00 O ATOM 87 CB ILE A 6 2.923 -4.413 -4.173 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.582 -4.308 -2.671 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.711 -3.168 -4.614 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.212 -2.862 -2.305 1.00 0.00 C ATOM 0 H ILE A 6 1.192 -6.124 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 6 1.071 -3.591 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 6 3.529 -5.304 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.753 -4.974 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.434 -4.634 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.626 -3.090 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.964 -3.253 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.102 -2.278 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.974 -2.805 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.053 -2.205 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.346 -2.549 -2.888 1.00 0.00 H new ATOM 102 N ARG A 7 2.269 -6.018 -6.773 1.00 0.00 N ATOM 103 CA ARG A 7 2.650 -6.376 -8.162 1.00 0.00 C ATOM 104 C ARG A 7 1.495 -6.085 -9.123 1.00 0.00 C ATOM 105 O ARG A 7 1.705 -5.750 -10.272 1.00 0.00 O ATOM 106 CB ARG A 7 2.990 -7.871 -8.223 1.00 0.00 C ATOM 107 CG ARG A 7 3.687 -8.193 -9.557 1.00 0.00 C ATOM 108 CD ARG A 7 5.195 -7.943 -9.417 1.00 0.00 C ATOM 109 NE ARG A 7 5.870 -8.250 -10.707 1.00 0.00 N ATOM 110 CZ ARG A 7 7.156 -8.051 -10.846 1.00 0.00 C ATOM 111 NH1 ARG A 7 7.867 -7.563 -9.859 1.00 0.00 N ATOM 112 NH2 ARG A 7 7.731 -8.334 -11.980 1.00 0.00 N ATOM 0 H ARG A 7 2.252 -6.800 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 7 3.515 -5.781 -8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.638 -8.140 -7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.081 -8.464 -8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.503 -9.231 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.277 -7.572 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.378 -6.906 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.606 -8.566 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 7 5.327 -8.618 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.419 -7.334 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.869 -7.412 -9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.179 -8.708 -12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.733 -8.182 -12.096 1.00 0.00 H new ATOM 126 N ASP A 8 0.281 -6.246 -8.671 1.00 0.00 N ATOM 127 CA ASP A 8 -0.897 -6.013 -9.562 1.00 0.00 C ATOM 128 C ASP A 8 -1.243 -4.528 -9.603 1.00 0.00 C ATOM 129 O ASP A 8 -2.293 -4.141 -10.076 1.00 0.00 O ATOM 130 CB ASP A 8 -2.092 -6.826 -9.038 1.00 0.00 C ATOM 131 CG ASP A 8 -2.577 -6.275 -7.692 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.613 -5.067 -7.527 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.910 -7.082 -6.846 1.00 0.00 O ATOM 0 H ASP A 8 0.051 -6.530 -7.719 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.656 -6.335 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.905 -6.794 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.805 -7.872 -8.926 1.00 0.00 H new ATOM 138 N VAL A 9 -0.372 -3.696 -9.106 1.00 0.00 N ATOM 139 CA VAL A 9 -0.645 -2.231 -9.109 1.00 0.00 C ATOM 140 C VAL A 9 -0.550 -1.692 -10.533 1.00 0.00 C ATOM 141 O VAL A 9 0.409 -1.925 -11.242 1.00 0.00 O ATOM 142 CB VAL A 9 0.377 -1.520 -8.209 1.00 0.00 C ATOM 143 CG1 VAL A 9 0.293 -0.005 -8.427 1.00 0.00 C ATOM 144 CG2 VAL A 9 0.067 -1.840 -6.741 1.00 0.00 C ATOM 0 H VAL A 9 0.521 -3.968 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.649 -2.047 -8.728 1.00 0.00 H new ATOM 0 HB VAL A 9 1.381 -1.865 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.019 0.496 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.509 0.225 -9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.710 0.343 -8.179 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.790 -1.337 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.937 -1.494 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.128 -2.917 -6.583 1.00 0.00 H new ATOM 154 N SER A 10 -1.547 -0.958 -10.941 1.00 0.00 N ATOM 155 CA SER A 10 -1.554 -0.375 -12.310 1.00 0.00 C ATOM 156 C SER A 10 -2.515 0.814 -12.367 1.00 0.00 C ATOM 157 O SER A 10 -3.337 1.017 -11.496 1.00 0.00 O ATOM 158 CB SER A 10 -1.988 -1.432 -13.320 1.00 0.00 C ATOM 159 OG SER A 10 -3.217 -2.011 -12.903 1.00 0.00 O ATOM 0 H SER A 10 -2.367 -0.735 -10.377 1.00 0.00 H new ATOM 0 HA SER A 10 -0.548 -0.034 -12.554 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.102 -0.982 -14.306 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.222 -2.203 -13.408 1.00 0.00 H new ATOM 0 HG SER A 10 -3.496 -2.689 -13.553 1.00 0.00 H new ATOM 165 N LEU A 11 -2.407 1.598 -13.401 1.00 0.00 N ATOM 166 CA LEU A 11 -3.286 2.791 -13.560 1.00 0.00 C ATOM 167 C LEU A 11 -4.740 2.340 -13.681 1.00 0.00 C ATOM 168 O LEU A 11 -5.649 3.046 -13.290 1.00 0.00 O ATOM 169 CB LEU A 11 -2.873 3.560 -14.825 1.00 0.00 C ATOM 170 CG LEU A 11 -1.364 3.840 -14.784 1.00 0.00 C ATOM 171 CD1 LEU A 11 -0.948 4.619 -16.038 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.025 4.664 -13.533 1.00 0.00 C ATOM 0 H LEU A 11 -1.735 1.461 -14.156 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.184 3.441 -12.691 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.122 2.980 -15.714 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.426 4.497 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.825 2.893 -14.751 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.124 4.816 -16.005 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.182 4.031 -16.926 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.490 5.564 -16.075 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.047 4.861 -13.507 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.567 5.609 -13.562 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.314 4.107 -12.641 1.00 0.00 H new ATOM 184 N SER A 12 -4.964 1.174 -14.222 1.00 0.00 N ATOM 185 CA SER A 12 -6.357 0.665 -14.377 1.00 0.00 C ATOM 186 C SER A 12 -7.055 0.735 -13.025 1.00 0.00 C ATOM 187 O SER A 12 -8.266 0.757 -12.943 1.00 0.00 O ATOM 188 CB SER A 12 -6.318 -0.794 -14.849 1.00 0.00 C ATOM 189 OG SER A 12 -5.908 -0.835 -16.209 1.00 0.00 O ATOM 0 H SER A 12 -4.237 0.547 -14.566 1.00 0.00 H new ATOM 0 HA SER A 12 -6.894 1.269 -15.109 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.629 -1.370 -14.232 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.302 -1.250 -14.739 1.00 0.00 H new ATOM 0 HG SER A 12 -5.880 -1.766 -16.514 1.00 0.00 H new ATOM 195 N THR A 13 -6.288 0.778 -11.965 1.00 0.00 N ATOM 196 CA THR A 13 -6.872 0.848 -10.592 1.00 0.00 C ATOM 197 C THR A 13 -6.552 2.228 -9.980 1.00 0.00 C ATOM 198 O THR A 13 -5.486 2.441 -9.431 1.00 0.00 O ATOM 199 CB THR A 13 -6.272 -0.260 -9.727 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.034 0.166 -9.182 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.060 -1.507 -10.583 1.00 0.00 C ATOM 0 H THR A 13 -5.268 0.767 -11.994 1.00 0.00 H new ATOM 0 HA THR A 13 -7.953 0.714 -10.639 1.00 0.00 H new ATOM 0 HB THR A 13 -6.955 -0.490 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.733 0.975 -9.646 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.632 -2.300 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.017 -1.837 -10.988 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.380 -1.275 -11.402 1.00 0.00 H new ATOM 209 N PRO A 14 -7.462 3.170 -10.092 1.00 0.00 N ATOM 210 CA PRO A 14 -7.261 4.550 -9.567 1.00 0.00 C ATOM 211 C PRO A 14 -7.384 4.591 -8.047 1.00 0.00 C ATOM 212 O PRO A 14 -6.935 5.516 -7.411 1.00 0.00 O ATOM 213 CB PRO A 14 -8.379 5.365 -10.234 1.00 0.00 C ATOM 214 CG PRO A 14 -9.459 4.375 -10.550 1.00 0.00 C ATOM 215 CD PRO A 14 -8.784 3.017 -10.727 1.00 0.00 C ATOM 0 HA PRO A 14 -6.267 4.938 -9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.745 6.147 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.021 5.857 -11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.195 4.338 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.991 4.662 -11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.361 2.223 -10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.689 2.756 -11.781 1.00 0.00 H new ATOM 223 N TYR A 15 -7.995 3.589 -7.473 1.00 0.00 N ATOM 224 CA TYR A 15 -8.163 3.543 -5.988 1.00 0.00 C ATOM 225 C TYR A 15 -8.000 2.108 -5.499 1.00 0.00 C ATOM 226 O TYR A 15 -8.691 1.206 -5.931 1.00 0.00 O ATOM 227 CB TYR A 15 -9.547 4.064 -5.607 1.00 0.00 C ATOM 228 CG TYR A 15 -9.664 5.513 -6.019 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.987 6.499 -5.293 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.447 5.870 -7.123 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.092 7.842 -5.671 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.553 7.213 -7.501 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.875 8.199 -6.775 1.00 0.00 C ATOM 234 OH TYR A 15 -9.978 9.524 -7.147 1.00 0.00 O ATOM 0 H TYR A 15 -8.389 2.792 -7.973 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.405 4.171 -5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.319 3.471 -6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.703 3.965 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.383 6.223 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.969 5.109 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.569 8.603 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.158 7.489 -8.352 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.558 9.599 -7.933 1.00 0.00 H new ATOM 244 N VAL A 16 -7.087 1.902 -4.591 1.00 0.00 N ATOM 245 CA VAL A 16 -6.848 0.535 -4.045 1.00 0.00 C ATOM 246 C VAL A 16 -6.267 0.618 -2.635 1.00 0.00 C ATOM 247 O VAL A 16 -5.939 1.682 -2.134 1.00 0.00 O ATOM 248 CB VAL A 16 -5.866 -0.219 -4.943 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.502 -0.453 -6.311 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.576 0.597 -5.113 1.00 0.00 C ATOM 0 H VAL A 16 -6.489 2.630 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.801 0.007 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.625 -1.177 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.802 -0.990 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.412 -1.042 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.747 0.506 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.883 0.052 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.811 1.559 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.117 0.760 -4.138 1.00 0.00 H new ATOM 260 N SER A 17 -6.141 -0.516 -1.995 1.00 0.00 N ATOM 261 CA SER A 17 -5.580 -0.569 -0.610 1.00 0.00 C ATOM 262 C SER A 17 -4.455 -1.599 -0.553 1.00 0.00 C ATOM 263 O SER A 17 -4.450 -2.579 -1.273 1.00 0.00 O ATOM 264 CB SER A 17 -6.681 -0.963 0.374 1.00 0.00 C ATOM 265 OG SER A 17 -7.749 -0.031 0.272 1.00 0.00 O ATOM 0 H SER A 17 -6.407 -1.422 -2.379 1.00 0.00 H new ATOM 0 HA SER A 17 -5.188 0.412 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.038 -1.970 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.289 -0.977 1.391 1.00 0.00 H new ATOM 0 HG SER A 17 -8.597 -0.514 0.178 1.00 0.00 H new ATOM 271 N VAL A 18 -3.495 -1.366 0.302 1.00 0.00 N ATOM 272 CA VAL A 18 -2.340 -2.304 0.436 1.00 0.00 C ATOM 273 C VAL A 18 -1.927 -2.434 1.900 1.00 0.00 C ATOM 274 O VAL A 18 -2.209 -1.588 2.725 1.00 0.00 O ATOM 275 CB VAL A 18 -1.153 -1.777 -0.373 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.501 -1.811 -1.859 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.830 -0.336 0.043 1.00 0.00 C ATOM 0 H VAL A 18 -3.461 -0.556 0.921 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.641 -3.282 0.061 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.283 -2.405 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.658 -1.436 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.720 -2.836 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.374 -1.185 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.016 0.030 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.697 0.299 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.579 -0.311 1.103 1.00 0.00 H new ATOM 287 N ILE A 19 -1.243 -3.500 2.212 1.00 0.00 N ATOM 288 CA ILE A 19 -0.769 -3.740 3.608 1.00 0.00 C ATOM 289 C ILE A 19 0.678 -4.225 3.589 1.00 0.00 C ATOM 290 O ILE A 19 1.045 -5.111 2.836 1.00 0.00 O ATOM 291 CB ILE A 19 -1.649 -4.794 4.282 1.00 0.00 C ATOM 292 CG1 ILE A 19 -3.064 -4.235 4.459 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.057 -5.143 5.652 1.00 0.00 C ATOM 294 CD1 ILE A 19 -4.025 -5.357 4.859 1.00 0.00 C ATOM 0 H ILE A 19 -0.987 -4.230 1.547 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.830 -2.806 4.167 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.690 -5.691 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.063 -3.457 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.399 -3.772 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.680 -5.894 6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.049 -5.537 5.523 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.020 -4.247 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.028 -4.950 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.036 -6.121 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.695 -5.801 5.798 1.00 0.00 H new ATOM 306 N GLY A 20 1.497 -3.653 4.430 1.00 0.00 N ATOM 307 CA GLY A 20 2.928 -4.073 4.491 1.00 0.00 C ATOM 308 C GLY A 20 3.692 -3.182 5.468 1.00 0.00 C ATOM 309 O GLY A 20 3.122 -2.562 6.347 1.00 0.00 O ATOM 0 H GLY A 20 1.237 -2.911 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.997 -5.114 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.377 -4.009 3.500 1.00 0.00 H new ATOM 313 N LYS A 21 4.989 -3.125 5.320 1.00 0.00 N ATOM 314 CA LYS A 21 5.838 -2.296 6.230 1.00 0.00 C ATOM 315 C LYS A 21 6.453 -1.138 5.463 1.00 0.00 C ATOM 316 O LYS A 21 7.019 -1.300 4.408 1.00 0.00 O ATOM 317 CB LYS A 21 6.943 -3.173 6.820 1.00 0.00 C ATOM 318 CG LYS A 21 7.658 -2.404 7.933 1.00 0.00 C ATOM 319 CD LYS A 21 8.650 -3.328 8.652 1.00 0.00 C ATOM 320 CE LYS A 21 9.907 -3.522 7.795 1.00 0.00 C ATOM 321 NZ LYS A 21 10.946 -4.224 8.597 1.00 0.00 N ATOM 0 H LYS A 21 5.505 -3.625 4.596 1.00 0.00 H new ATOM 0 HA LYS A 21 5.221 -1.893 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.519 -4.096 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.653 -3.455 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.184 -1.546 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.929 -2.015 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.921 -2.902 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.183 -4.293 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.667 -4.101 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.283 -2.556 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.800 -4.357 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.181 -3.655 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.584 -5.151 8.898 1.00 0.00 H new ATOM 335 N ILE A 22 6.325 0.040 6.008 1.00 0.00 N ATOM 336 CA ILE A 22 6.872 1.264 5.357 1.00 0.00 C ATOM 337 C ILE A 22 8.205 1.635 6.000 1.00 0.00 C ATOM 338 O ILE A 22 8.340 1.663 7.211 1.00 0.00 O ATOM 339 CB ILE A 22 5.883 2.421 5.532 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.560 2.071 4.835 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.470 3.691 4.914 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.506 3.141 5.138 1.00 0.00 C ATOM 0 H ILE A 22 5.854 0.209 6.897 1.00 0.00 H new ATOM 0 HA ILE A 22 7.024 1.071 4.295 1.00 0.00 H new ATOM 0 HB ILE A 22 5.700 2.588 6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.715 1.997 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.208 1.097 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.767 4.515 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.409 3.937 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.654 3.528 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.572 2.883 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.340 3.194 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.855 4.108 4.777 1.00 0.00 H new ATOM 354 N THR A 23 9.187 1.918 5.184 1.00 0.00 N ATOM 355 CA THR A 23 10.532 2.298 5.706 1.00 0.00 C ATOM 356 C THR A 23 11.189 3.325 4.778 1.00 0.00 C ATOM 357 O THR A 23 11.006 3.312 3.576 1.00 0.00 O ATOM 358 CB THR A 23 11.415 1.053 5.798 1.00 0.00 C ATOM 359 OG1 THR A 23 10.683 0.003 6.413 1.00 0.00 O ATOM 360 CG2 THR A 23 12.656 1.370 6.634 1.00 0.00 C ATOM 0 H THR A 23 9.113 1.902 4.167 1.00 0.00 H new ATOM 0 HA THR A 23 10.416 2.739 6.696 1.00 0.00 H new ATOM 0 HB THR A 23 11.721 0.746 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.246 -0.797 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.286 0.483 6.700 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.215 2.178 6.163 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.352 1.675 7.635 1.00 0.00 H new ATOM 368 N GLY A 24 11.965 4.204 5.350 1.00 0.00 N ATOM 369 CA GLY A 24 12.678 5.249 4.555 1.00 0.00 C ATOM 370 C GLY A 24 11.764 6.452 4.341 1.00 0.00 C ATOM 371 O GLY A 24 11.221 6.652 3.274 1.00 0.00 O ATOM 0 H GLY A 24 12.139 4.244 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.585 5.558 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.986 4.839 3.593 1.00 0.00 H new ATOM 375 N ILE A 25 11.596 7.256 5.357 1.00 0.00 N ATOM 376 CA ILE A 25 10.718 8.459 5.244 1.00 0.00 C ATOM 377 C ILE A 25 11.559 9.684 4.883 1.00 0.00 C ATOM 378 O ILE A 25 12.378 10.145 5.653 1.00 0.00 O ATOM 379 CB ILE A 25 10.002 8.682 6.590 1.00 0.00 C ATOM 380 CG1 ILE A 25 8.778 7.759 6.675 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.545 10.145 6.709 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.188 6.318 6.361 1.00 0.00 C ATOM 0 H ILE A 25 12.034 7.130 6.270 1.00 0.00 H new ATOM 0 HA ILE A 25 9.977 8.305 4.459 1.00 0.00 H new ATOM 0 HB ILE A 25 10.693 8.456 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.340 7.813 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.013 8.090 5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.040 10.292 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.412 10.803 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.858 10.379 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.314 5.669 6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.605 6.269 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.937 5.988 7.081 1.00 0.00 H new ATOM 394 N HIS A 26 11.322 10.226 3.722 1.00 0.00 N ATOM 395 CA HIS A 26 12.060 11.444 3.265 1.00 0.00 C ATOM 396 C HIS A 26 11.095 12.629 3.212 1.00 0.00 C ATOM 397 O HIS A 26 10.089 12.600 2.532 1.00 0.00 O ATOM 398 CB HIS A 26 12.647 11.190 1.878 1.00 0.00 C ATOM 399 CG HIS A 26 13.716 10.134 1.974 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.426 8.779 1.922 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.079 10.220 2.114 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.589 8.111 2.030 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.628 8.941 2.150 1.00 0.00 N ATOM 0 H HIS A 26 10.636 9.872 3.056 1.00 0.00 H new ATOM 0 HA HIS A 26 12.868 11.669 3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.863 10.868 1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.066 12.112 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.640 11.140 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.672 7.034 2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.612 8.692 2.247 1.00 0.00 H new ATOM 411 N LYS A 27 11.406 13.664 3.940 1.00 0.00 N ATOM 412 CA LYS A 27 10.529 14.871 3.976 1.00 0.00 C ATOM 413 C LYS A 27 10.924 15.843 2.868 1.00 0.00 C ATOM 414 O LYS A 27 12.081 16.148 2.665 1.00 0.00 O ATOM 415 CB LYS A 27 10.676 15.556 5.337 1.00 0.00 C ATOM 416 CG LYS A 27 9.600 16.636 5.485 1.00 0.00 C ATOM 417 CD LYS A 27 9.630 17.207 6.909 1.00 0.00 C ATOM 418 CE LYS A 27 10.848 18.121 7.082 1.00 0.00 C ATOM 419 NZ LYS A 27 10.703 18.912 8.333 1.00 0.00 N ATOM 0 H LYS A 27 12.242 13.727 4.521 1.00 0.00 H new ATOM 0 HA LYS A 27 9.493 14.568 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.582 14.822 6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.667 16.001 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.769 17.432 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.617 16.215 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.715 17.766 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.669 16.395 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.760 17.525 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.939 18.789 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.530 19.532 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.841 19.491 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.637 18.267 9.146 1.00 0.00 H new ATOM 433 N LYS A 28 9.947 16.331 2.157 1.00 0.00 N ATOM 434 CA LYS A 28 10.206 17.294 1.049 1.00 0.00 C ATOM 435 C LYS A 28 9.028 18.256 0.930 1.00 0.00 C ATOM 436 O LYS A 28 7.905 17.929 1.262 1.00 0.00 O ATOM 437 CB LYS A 28 10.386 16.537 -0.265 1.00 0.00 C ATOM 438 CG LYS A 28 10.753 17.528 -1.371 1.00 0.00 C ATOM 439 CD LYS A 28 10.992 16.773 -2.679 1.00 0.00 C ATOM 440 CE LYS A 28 11.352 17.766 -3.786 1.00 0.00 C ATOM 441 NZ LYS A 28 12.645 18.429 -3.459 1.00 0.00 N ATOM 0 H LYS A 28 8.964 16.100 2.299 1.00 0.00 H new ATOM 0 HA LYS A 28 11.115 17.855 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.168 15.784 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.468 16.009 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.952 18.256 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.648 18.085 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.796 16.048 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.099 16.212 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.428 17.249 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.565 18.513 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.041 18.860 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.486 19.167 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.312 17.724 -3.086 1.00 0.00 H new ATOM 455 N GLU A 29 9.286 19.449 0.464 1.00 0.00 N ATOM 456 CA GLU A 29 8.204 20.474 0.320 1.00 0.00 C ATOM 457 C GLU A 29 7.932 20.755 -1.148 1.00 0.00 C ATOM 458 O GLU A 29 8.831 20.831 -1.964 1.00 0.00 O ATOM 459 CB GLU A 29 8.634 21.770 1.012 1.00 0.00 C ATOM 460 CG GLU A 29 8.734 21.543 2.529 1.00 0.00 C ATOM 461 CD GLU A 29 10.081 20.901 2.872 1.00 0.00 C ATOM 462 OE1 GLU A 29 10.815 20.576 1.952 1.00 0.00 O ATOM 463 OE2 GLU A 29 10.352 20.737 4.049 1.00 0.00 O ATOM 0 H GLU A 29 10.212 19.763 0.173 1.00 0.00 H new ATOM 0 HA GLU A 29 7.294 20.091 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.596 22.100 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.915 22.562 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.629 22.492 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.919 20.901 2.864 1.00 0.00 H new ATOM 470 N TYR A 30 6.678 20.921 -1.483 1.00 0.00 N ATOM 471 CA TYR A 30 6.300 21.212 -2.898 1.00 0.00 C ATOM 472 C TYR A 30 5.158 22.226 -2.928 1.00 0.00 C ATOM 473 O TYR A 30 4.442 22.413 -1.962 1.00 0.00 O ATOM 474 CB TYR A 30 5.860 19.922 -3.600 1.00 0.00 C ATOM 475 CG TYR A 30 4.530 19.438 -3.051 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.436 18.985 -1.729 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.392 19.434 -3.873 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.207 18.531 -1.230 1.00 0.00 C ATOM 479 CE2 TYR A 30 2.166 18.982 -3.372 1.00 0.00 C ATOM 480 CZ TYR A 30 2.073 18.531 -2.051 1.00 0.00 C ATOM 481 OH TYR A 30 0.864 18.082 -1.559 1.00 0.00 O ATOM 0 H TYR A 30 5.895 20.867 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 30 7.165 21.624 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.774 20.097 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.618 19.151 -3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.310 18.985 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.463 19.780 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.135 18.181 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.291 18.981 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 30 0.757 17.132 -1.772 1.00 0.00 H new ATOM 491 N GLU A 31 4.993 22.880 -4.044 1.00 0.00 N ATOM 492 CA GLU A 31 3.912 23.901 -4.192 1.00 0.00 C ATOM 493 C GLU A 31 2.653 23.235 -4.736 1.00 0.00 C ATOM 494 O GLU A 31 2.487 23.057 -5.926 1.00 0.00 O ATOM 495 CB GLU A 31 4.381 24.998 -5.154 1.00 0.00 C ATOM 496 CG GLU A 31 5.468 25.833 -4.475 1.00 0.00 C ATOM 497 CD GLU A 31 6.022 26.865 -5.461 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.546 26.896 -6.584 1.00 0.00 O ATOM 499 OE2 GLU A 31 6.911 27.605 -5.075 1.00 0.00 O ATOM 0 H GLU A 31 5.570 22.749 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 31 3.689 24.344 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.767 24.553 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.542 25.633 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.059 26.337 -3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.271 25.185 -4.124 1.00 0.00 H new ATOM 506 N SER A 32 1.766 22.872 -3.855 1.00 0.00 N ATOM 507 CA SER A 32 0.500 22.211 -4.271 1.00 0.00 C ATOM 508 C SER A 32 -0.474 23.244 -4.829 1.00 0.00 C ATOM 509 O SER A 32 -0.079 24.234 -5.404 1.00 0.00 O ATOM 510 CB SER A 32 -0.139 21.520 -3.060 1.00 0.00 C ATOM 511 OG SER A 32 -0.974 20.465 -3.513 1.00 0.00 O ATOM 0 H SER A 32 1.866 23.007 -2.849 1.00 0.00 H new ATOM 0 HA SER A 32 0.724 21.475 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.634 21.130 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.721 22.238 -2.481 1.00 0.00 H new ATOM 0 HG SER A 32 -1.384 20.019 -2.743 1.00 0.00 H new ATOM 517 N ASP A 33 -1.748 22.993 -4.662 1.00 0.00 N ATOM 518 CA ASP A 33 -2.794 23.919 -5.183 1.00 0.00 C ATOM 519 C ASP A 33 -2.553 25.337 -4.670 1.00 0.00 C ATOM 520 O ASP A 33 -3.236 25.823 -3.792 1.00 0.00 O ATOM 521 CB ASP A 33 -4.177 23.422 -4.734 1.00 0.00 C ATOM 522 CG ASP A 33 -5.268 24.312 -5.337 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.921 25.302 -5.958 1.00 0.00 O ATOM 524 OD2 ASP A 33 -6.432 23.983 -5.171 1.00 0.00 O ATOM 0 H ASP A 33 -2.111 22.172 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.749 23.937 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.322 22.389 -5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.243 23.436 -3.646 1.00 0.00 H new ATOM 529 N GLY A 34 -1.581 25.999 -5.237 1.00 0.00 N ATOM 530 CA GLY A 34 -1.260 27.393 -4.835 1.00 0.00 C ATOM 531 C GLY A 34 -0.918 27.429 -3.355 1.00 0.00 C ATOM 532 O GLY A 34 -1.049 28.446 -2.702 1.00 0.00 O ATOM 0 H GLY A 34 -0.986 25.623 -5.975 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.421 27.768 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.109 28.046 -5.039 1.00 0.00 H new ATOM 536 N THR A 35 -0.471 26.324 -2.820 1.00 0.00 N ATOM 537 CA THR A 35 -0.109 26.278 -1.370 1.00 0.00 C ATOM 538 C THR A 35 1.047 25.304 -1.160 1.00 0.00 C ATOM 539 O THR A 35 1.115 24.257 -1.766 1.00 0.00 O ATOM 540 CB THR A 35 -1.320 25.826 -0.552 1.00 0.00 C ATOM 541 OG1 THR A 35 -0.936 25.682 0.809 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.837 24.484 -1.079 1.00 0.00 C ATOM 0 H THR A 35 -0.340 25.448 -3.325 1.00 0.00 H new ATOM 0 HA THR A 35 0.195 27.272 -1.043 1.00 0.00 H new ATOM 0 HB THR A 35 -2.111 26.571 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.709 25.394 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.699 24.170 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.130 24.592 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.050 23.734 -0.999 1.00 0.00 H new ATOM 550 N THR A 36 1.956 25.655 -0.293 1.00 0.00 N ATOM 551 CA THR A 36 3.133 24.783 -0.016 1.00 0.00 C ATOM 552 C THR A 36 2.802 23.792 1.095 1.00 0.00 C ATOM 553 O THR A 36 2.388 24.160 2.175 1.00 0.00 O ATOM 554 CB THR A 36 4.320 25.654 0.406 1.00 0.00 C ATOM 555 OG1 THR A 36 4.620 26.576 -0.634 1.00 0.00 O ATOM 556 CG2 THR A 36 5.538 24.765 0.665 1.00 0.00 C ATOM 0 H THR A 36 1.933 26.522 0.243 1.00 0.00 H new ATOM 0 HA THR A 36 3.388 24.227 -0.918 1.00 0.00 H new ATOM 0 HB THR A 36 4.068 26.199 1.316 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.378 27.136 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.383 25.384 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.308 24.055 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.792 24.221 -0.245 1.00 0.00 H new ATOM 564 N LYS A 37 2.999 22.531 0.822 1.00 0.00 N ATOM 565 CA LYS A 37 2.720 21.467 1.834 1.00 0.00 C ATOM 566 C LYS A 37 3.854 20.443 1.832 1.00 0.00 C ATOM 567 O LYS A 37 4.472 20.168 0.815 1.00 0.00 O ATOM 568 CB LYS A 37 1.402 20.766 1.503 1.00 0.00 C ATOM 569 CG LYS A 37 0.232 21.710 1.792 1.00 0.00 C ATOM 570 CD LYS A 37 -1.089 21.007 1.457 1.00 0.00 C ATOM 571 CE LYS A 37 -2.267 21.940 1.757 1.00 0.00 C ATOM 572 NZ LYS A 37 -2.284 22.280 3.209 1.00 0.00 N ATOM 0 H LYS A 37 3.347 22.186 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 37 2.646 21.926 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.391 20.467 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.303 19.856 2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.242 22.008 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.331 22.621 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.101 20.718 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.182 20.091 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.183 22.849 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.204 21.460 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.236 22.598 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.028 21.439 3.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.599 23.040 3.396 1.00 0.00 H new ATOM 586 N SER A 38 4.129 19.886 2.980 1.00 0.00 N ATOM 587 CA SER A 38 5.218 18.878 3.100 1.00 0.00 C ATOM 588 C SER A 38 4.715 17.510 2.659 1.00 0.00 C ATOM 589 O SER A 38 3.576 17.149 2.876 1.00 0.00 O ATOM 590 CB SER A 38 5.686 18.804 4.554 1.00 0.00 C ATOM 591 OG SER A 38 6.668 17.784 4.678 1.00 0.00 O ATOM 0 H SER A 38 3.638 20.090 3.851 1.00 0.00 H new ATOM 0 HA SER A 38 6.050 19.175 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.100 19.763 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.841 18.594 5.210 1.00 0.00 H new ATOM 0 HG SER A 38 6.972 17.734 5.608 1.00 0.00 H new ATOM 597 N VAL A 39 5.575 16.744 2.046 1.00 0.00 N ATOM 598 CA VAL A 39 5.193 15.380 1.576 1.00 0.00 C ATOM 599 C VAL A 39 6.264 14.377 1.988 1.00 0.00 C ATOM 600 O VAL A 39 7.448 14.619 1.864 1.00 0.00 O ATOM 601 CB VAL A 39 5.031 15.388 0.054 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.401 15.466 -0.633 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.316 14.107 -0.375 1.00 0.00 C ATOM 0 H VAL A 39 6.540 17.008 1.848 1.00 0.00 H new ATOM 0 HA VAL A 39 4.246 15.090 2.030 1.00 0.00 H new ATOM 0 HB VAL A 39 4.447 16.260 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.266 15.471 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.910 16.380 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.002 14.603 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.196 14.103 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.906 13.242 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.336 14.061 0.099 1.00 0.00 H new ATOM 613 N TYR A 40 5.840 13.248 2.480 1.00 0.00 N ATOM 614 CA TYR A 40 6.799 12.194 2.921 1.00 0.00 C ATOM 615 C TYR A 40 6.821 11.075 1.890 1.00 0.00 C ATOM 616 O TYR A 40 5.796 10.570 1.477 1.00 0.00 O ATOM 617 CB TYR A 40 6.354 11.636 4.273 1.00 0.00 C ATOM 618 CG TYR A 40 6.290 12.763 5.279 1.00 0.00 C ATOM 619 CD1 TYR A 40 7.449 13.167 5.950 1.00 0.00 C ATOM 620 CD2 TYR A 40 5.071 13.401 5.541 1.00 0.00 C ATOM 621 CE1 TYR A 40 7.391 14.208 6.884 1.00 0.00 C ATOM 622 CE2 TYR A 40 5.013 14.445 6.473 1.00 0.00 C ATOM 623 CZ TYR A 40 6.174 14.847 7.146 1.00 0.00 C ATOM 624 OH TYR A 40 6.117 15.872 8.069 1.00 0.00 O ATOM 0 H TYR A 40 4.856 13.006 2.598 1.00 0.00 H new ATOM 0 HA TYR A 40 7.797 12.621 3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.378 11.160 4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.052 10.870 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.389 12.675 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.176 13.088 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.286 14.518 7.403 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.074 14.940 6.673 1.00 0.00 H new ATOM 0 HH TYR A 40 5.198 16.207 8.130 1.00 0.00 H new ATOM 634 N GLN A 41 7.995 10.691 1.473 1.00 0.00 N ATOM 635 CA GLN A 41 8.138 9.604 0.457 1.00 0.00 C ATOM 636 C GLN A 41 8.985 8.473 1.023 1.00 0.00 C ATOM 637 O GLN A 41 9.915 8.684 1.779 1.00 0.00 O ATOM 638 CB GLN A 41 8.806 10.168 -0.799 1.00 0.00 C ATOM 639 CG GLN A 41 7.840 11.135 -1.491 1.00 0.00 C ATOM 640 CD GLN A 41 8.503 11.729 -2.734 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.610 11.365 -3.079 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.868 12.632 -3.429 1.00 0.00 N ATOM 0 H GLN A 41 8.877 11.089 1.797 1.00 0.00 H new ATOM 0 HA GLN A 41 7.151 9.216 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.729 10.684 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.077 9.358 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.925 10.612 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.554 11.932 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.939 12.938 -3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.301 13.032 -4.262 1.00 0.00 H new ATOM 651 N GLY A 42 8.651 7.268 0.659 1.00 0.00 N ATOM 652 CA GLY A 42 9.411 6.092 1.165 1.00 0.00 C ATOM 653 C GLY A 42 9.018 4.843 0.387 1.00 0.00 C ATOM 654 O GLY A 42 8.321 4.901 -0.608 1.00 0.00 O ATOM 0 H GLY A 42 7.880 7.045 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.482 6.270 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.209 5.948 2.226 1.00 0.00 H new ATOM 658 N TYR A 43 9.481 3.709 0.838 1.00 0.00 N ATOM 659 CA TYR A 43 9.176 2.418 0.149 1.00 0.00 C ATOM 660 C TYR A 43 8.436 1.478 1.088 1.00 0.00 C ATOM 661 O TYR A 43 8.692 1.421 2.276 1.00 0.00 O ATOM 662 CB TYR A 43 10.484 1.761 -0.296 1.00 0.00 C ATOM 663 CG TYR A 43 11.161 2.635 -1.325 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.013 3.671 -0.920 1.00 0.00 C ATOM 665 CD2 TYR A 43 10.938 2.404 -2.687 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.641 4.475 -1.879 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.565 3.208 -3.645 1.00 0.00 C ATOM 668 CZ TYR A 43 12.416 4.244 -3.243 1.00 0.00 C ATOM 669 OH TYR A 43 13.034 5.036 -4.188 1.00 0.00 O ATOM 0 H TYR A 43 10.067 3.619 1.668 1.00 0.00 H new ATOM 0 HA TYR A 43 8.546 2.620 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.141 1.615 0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.284 0.775 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.185 3.849 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.282 1.605 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.299 5.273 -1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.392 3.029 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 43 12.771 4.741 -5.085 1.00 0.00 H new ATOM 679 N ILE A 44 7.524 0.726 0.538 1.00 0.00 N ATOM 680 CA ILE A 44 6.732 -0.251 1.339 1.00 0.00 C ATOM 681 C ILE A 44 6.927 -1.630 0.739 1.00 0.00 C ATOM 682 O ILE A 44 6.918 -1.793 -0.461 1.00 0.00 O ATOM 683 CB ILE A 44 5.246 0.117 1.296 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.470 -0.826 2.222 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.711 -0.018 -0.135 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.040 -0.312 2.410 1.00 0.00 C ATOM 0 H ILE A 44 7.289 0.748 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 44 7.067 -0.236 2.376 1.00 0.00 H new ATOM 0 HB ILE A 44 5.120 1.149 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.452 -1.831 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.971 -0.895 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.654 0.246 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.264 0.650 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.835 -1.047 -0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.494 -0.987 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.067 0.684 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.540 -0.266 1.443 1.00 0.00 H new ATOM 698 N GLU A 45 7.117 -2.620 1.570 1.00 0.00 N ATOM 699 CA GLU A 45 7.335 -4.010 1.065 1.00 0.00 C ATOM 700 C GLU A 45 6.331 -4.969 1.696 1.00 0.00 C ATOM 701 O GLU A 45 5.802 -4.737 2.767 1.00 0.00 O ATOM 702 CB GLU A 45 8.766 -4.460 1.393 1.00 0.00 C ATOM 703 CG GLU A 45 9.060 -4.334 2.898 1.00 0.00 C ATOM 704 CD GLU A 45 9.409 -2.885 3.253 1.00 0.00 C ATOM 705 OE1 GLU A 45 10.001 -2.214 2.424 1.00 0.00 O ATOM 706 OE2 GLU A 45 9.088 -2.476 4.357 1.00 0.00 O ATOM 0 H GLU A 45 7.131 -2.526 2.586 1.00 0.00 H new ATOM 0 HA GLU A 45 7.192 -4.019 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.906 -5.494 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.478 -3.857 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.192 -4.657 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.886 -4.991 3.170 1.00 0.00 H new ATOM 713 N ASP A 46 6.064 -6.048 1.012 1.00 0.00 N ATOM 714 CA ASP A 46 5.093 -7.062 1.518 1.00 0.00 C ATOM 715 C ASP A 46 5.582 -8.465 1.152 1.00 0.00 C ATOM 716 O ASP A 46 6.757 -8.693 0.940 1.00 0.00 O ATOM 717 CB ASP A 46 3.720 -6.819 0.878 1.00 0.00 C ATOM 718 CG ASP A 46 2.640 -7.538 1.693 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.002 -8.344 2.536 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.474 -7.272 1.460 1.00 0.00 O ATOM 0 H ASP A 46 6.484 -6.274 0.110 1.00 0.00 H new ATOM 0 HA ASP A 46 5.011 -6.976 2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.510 -5.750 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.717 -7.182 -0.150 1.00 0.00 H new ATOM 725 N ASP A 47 4.679 -9.405 1.086 1.00 0.00 N ATOM 726 CA ASP A 47 5.054 -10.805 0.747 1.00 0.00 C ATOM 727 C ASP A 47 5.379 -10.901 -0.740 1.00 0.00 C ATOM 728 O ASP A 47 6.037 -11.820 -1.181 1.00 0.00 O ATOM 729 CB ASP A 47 3.875 -11.736 1.061 1.00 0.00 C ATOM 730 CG ASP A 47 3.702 -11.860 2.577 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.617 -11.487 3.291 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.657 -12.331 2.997 1.00 0.00 O ATOM 0 H ASP A 47 3.684 -9.259 1.255 1.00 0.00 H new ATOM 0 HA ASP A 47 5.925 -11.098 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.962 -11.345 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.050 -12.719 0.624 1.00 0.00 H new ATOM 737 N THR A 48 4.918 -9.956 -1.515 1.00 0.00 N ATOM 738 CA THR A 48 5.189 -9.981 -2.983 1.00 0.00 C ATOM 739 C THR A 48 6.429 -9.145 -3.286 1.00 0.00 C ATOM 740 O THR A 48 7.533 -9.647 -3.319 1.00 0.00 O ATOM 741 CB THR A 48 3.989 -9.395 -3.740 1.00 0.00 C ATOM 742 OG1 THR A 48 3.685 -8.101 -3.236 1.00 0.00 O ATOM 743 CG2 THR A 48 2.777 -10.309 -3.565 1.00 0.00 C ATOM 0 H THR A 48 4.362 -9.163 -1.193 1.00 0.00 H new ATOM 0 HA THR A 48 5.353 -11.011 -3.300 1.00 0.00 H new ATOM 0 HB THR A 48 4.237 -9.318 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.920 -7.731 -3.724 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.926 -9.892 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.007 -11.298 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.532 -10.390 -2.506 1.00 0.00 H new ATOM 751 N ALA A 49 6.251 -7.869 -3.515 1.00 0.00 N ATOM 752 CA ALA A 49 7.416 -6.982 -3.831 1.00 0.00 C ATOM 753 C ALA A 49 7.310 -5.674 -3.049 1.00 0.00 C ATOM 754 O ALA A 49 6.842 -5.638 -1.929 1.00 0.00 O ATOM 755 CB ALA A 49 7.414 -6.664 -5.328 1.00 0.00 C ATOM 0 H ALA A 49 5.346 -7.399 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 49 8.337 -7.494 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.260 -6.018 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.495 -7.590 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.486 -6.156 -5.591 1.00 0.00 H new ATOM 761 N ARG A 50 7.762 -4.596 -3.640 1.00 0.00 N ATOM 762 CA ARG A 50 7.717 -3.272 -2.952 1.00 0.00 C ATOM 763 C ARG A 50 7.527 -2.147 -3.969 1.00 0.00 C ATOM 764 O ARG A 50 7.812 -2.291 -5.141 1.00 0.00 O ATOM 765 CB ARG A 50 9.027 -3.056 -2.184 1.00 0.00 C ATOM 766 CG ARG A 50 10.218 -3.034 -3.151 1.00 0.00 C ATOM 767 CD ARG A 50 11.511 -2.828 -2.356 1.00 0.00 C ATOM 768 NE ARG A 50 12.675 -2.810 -3.292 1.00 0.00 N ATOM 769 CZ ARG A 50 13.055 -1.694 -3.865 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.417 -0.576 -3.634 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.079 -1.699 -4.671 1.00 0.00 N ATOM 0 H ARG A 50 8.163 -4.578 -4.578 1.00 0.00 H new ATOM 0 HA ARG A 50 6.876 -3.261 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.982 -2.117 -1.632 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.161 -3.851 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.266 -3.969 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.094 -2.233 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.463 -1.891 -1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.632 -3.627 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 50 13.179 -3.675 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.616 -0.567 -3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.721 0.287 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.580 -2.568 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.379 -0.834 -5.120 1.00 0.00 H new ATOM 785 N ILE A 51 7.043 -1.022 -3.511 1.00 0.00 N ATOM 786 CA ILE A 51 6.818 0.141 -4.421 1.00 0.00 C ATOM 787 C ILE A 51 6.954 1.458 -3.651 1.00 0.00 C ATOM 788 O ILE A 51 6.870 1.506 -2.439 1.00 0.00 O ATOM 789 CB ILE A 51 5.420 0.052 -5.035 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.243 1.188 -6.048 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.356 0.170 -3.937 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.011 0.918 -6.913 1.00 0.00 C ATOM 0 H ILE A 51 6.792 -0.858 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 51 7.568 0.115 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 51 5.305 -0.909 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.133 2.139 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.130 1.270 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.364 0.106 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.484 -0.639 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.463 1.128 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.887 1.727 -7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.140 -0.024 -7.445 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.127 0.858 -6.278 1.00 0.00 H new ATOM 804 N ARG A 52 7.177 2.524 -4.371 1.00 0.00 N ATOM 805 CA ARG A 52 7.341 3.865 -3.740 1.00 0.00 C ATOM 806 C ARG A 52 5.986 4.452 -3.368 1.00 0.00 C ATOM 807 O ARG A 52 4.999 4.268 -4.051 1.00 0.00 O ATOM 808 CB ARG A 52 8.048 4.807 -4.722 1.00 0.00 C ATOM 809 CG ARG A 52 8.438 6.097 -3.994 1.00 0.00 C ATOM 810 CD ARG A 52 9.151 7.047 -4.960 1.00 0.00 C ATOM 811 NE ARG A 52 8.210 7.456 -6.045 1.00 0.00 N ATOM 812 CZ ARG A 52 7.409 8.478 -5.884 1.00 0.00 C ATOM 813 NH1 ARG A 52 7.409 9.156 -4.765 1.00 0.00 N ATOM 814 NH2 ARG A 52 6.602 8.822 -6.849 1.00 0.00 N ATOM 0 H ARG A 52 7.254 2.522 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 52 7.937 3.754 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.935 4.325 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.392 5.034 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.548 6.578 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.089 5.866 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.508 7.926 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.026 6.557 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 52 8.191 6.933 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.038 8.890 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.780 9.951 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.598 8.295 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.975 9.618 -6.730 1.00 0.00 H new ATOM 828 N ILE A 53 5.947 5.167 -2.278 1.00 0.00 N ATOM 829 CA ILE A 53 4.678 5.800 -1.809 1.00 0.00 C ATOM 830 C ILE A 53 4.925 7.266 -1.474 1.00 0.00 C ATOM 831 O ILE A 53 6.043 7.686 -1.226 1.00 0.00 O ATOM 832 CB ILE A 53 4.172 5.064 -0.564 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.230 5.120 0.551 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.883 3.604 -0.919 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.664 4.495 1.828 1.00 0.00 C ATOM 0 H ILE A 53 6.755 5.343 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 53 3.929 5.736 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 53 3.259 5.545 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.129 4.587 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.521 6.154 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.523 3.079 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.123 3.563 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.797 3.129 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.415 4.536 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.778 5.047 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.395 3.456 1.636 1.00 0.00 H new ATOM 847 N SER A 54 3.875 8.042 -1.451 1.00 0.00 N ATOM 848 CA SER A 54 4.004 9.493 -1.125 1.00 0.00 C ATOM 849 C SER A 54 2.795 9.947 -0.314 1.00 0.00 C ATOM 850 O SER A 54 1.667 9.894 -0.766 1.00 0.00 O ATOM 851 CB SER A 54 4.087 10.293 -2.422 1.00 0.00 C ATOM 852 OG SER A 54 5.180 9.814 -3.193 1.00 0.00 O ATOM 0 H SER A 54 2.924 7.730 -1.646 1.00 0.00 H new ATOM 0 HA SER A 54 4.907 9.657 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.158 10.195 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.217 11.353 -2.203 1.00 0.00 H new ATOM 0 HG SER A 54 4.920 9.770 -4.137 1.00 0.00 H new ATOM 858 N SER A 55 3.036 10.403 0.886 1.00 0.00 N ATOM 859 CA SER A 55 1.928 10.877 1.772 1.00 0.00 C ATOM 860 C SER A 55 1.995 12.393 1.916 1.00 0.00 C ATOM 861 O SER A 55 3.054 12.984 1.984 1.00 0.00 O ATOM 862 CB SER A 55 2.070 10.229 3.147 1.00 0.00 C ATOM 863 OG SER A 55 2.949 11.006 3.952 1.00 0.00 O ATOM 0 H SER A 55 3.967 10.469 1.298 1.00 0.00 H new ATOM 0 HA SER A 55 0.970 10.601 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.094 10.152 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.456 9.215 3.044 1.00 0.00 H new ATOM 0 HG SER A 55 2.550 11.139 4.837 1.00 0.00 H new ATOM 869 N PHE A 56 0.852 13.020 1.953 1.00 0.00 N ATOM 870 CA PHE A 56 0.791 14.506 2.077 1.00 0.00 C ATOM 871 C PHE A 56 0.435 14.919 3.507 1.00 0.00 C ATOM 872 O PHE A 56 -0.639 14.639 4.003 1.00 0.00 O ATOM 873 CB PHE A 56 -0.271 15.044 1.112 1.00 0.00 C ATOM 874 CG PHE A 56 0.172 14.796 -0.313 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.233 15.536 -0.852 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.473 13.830 -1.095 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.647 15.308 -2.171 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.060 13.604 -2.414 1.00 0.00 C ATOM 879 CZ PHE A 56 1.000 14.342 -2.951 1.00 0.00 C ATOM 0 H PHE A 56 -0.057 12.560 1.902 1.00 0.00 H new ATOM 0 HA PHE A 56 1.769 14.920 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.227 14.555 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.421 16.111 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.732 16.282 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.290 13.258 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.465 15.878 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.560 12.860 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.319 14.167 -3.968 1.00 0.00 H new ATOM 889 N GLY A 57 1.333 15.613 4.149 1.00 0.00 N ATOM 890 CA GLY A 57 1.090 16.106 5.537 1.00 0.00 C ATOM 891 C GLY A 57 1.038 14.942 6.527 1.00 0.00 C ATOM 892 O GLY A 57 1.386 15.088 7.682 1.00 0.00 O ATOM 0 H GLY A 57 2.243 15.865 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.881 16.799 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.152 16.660 5.572 1.00 0.00 H new ATOM 896 N LYS A 58 0.581 13.804 6.089 1.00 0.00 N ATOM 897 CA LYS A 58 0.463 12.636 7.003 1.00 0.00 C ATOM 898 C LYS A 58 1.839 12.154 7.451 1.00 0.00 C ATOM 899 O LYS A 58 2.732 11.936 6.658 1.00 0.00 O ATOM 900 CB LYS A 58 -0.279 11.501 6.281 1.00 0.00 C ATOM 901 CG LYS A 58 -0.952 10.584 7.318 1.00 0.00 C ATOM 902 CD LYS A 58 -2.339 11.137 7.676 1.00 0.00 C ATOM 903 CE LYS A 58 -3.041 10.176 8.629 1.00 0.00 C ATOM 904 NZ LYS A 58 -2.308 10.136 9.926 1.00 0.00 N ATOM 0 H LYS A 58 0.282 13.632 5.129 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.096 12.938 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.028 11.914 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.418 10.927 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.045 9.574 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.334 10.517 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.242 12.119 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.934 11.268 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.071 10.495 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.082 9.178 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.915 9.708 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.443 9.568 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.054 11.103 10.211 1.00 0.00 H new ATOM 918 N GLN A 59 1.995 11.988 8.734 1.00 0.00 N ATOM 919 CA GLN A 59 3.292 11.532 9.298 1.00 0.00 C ATOM 920 C GLN A 59 3.404 10.013 9.236 1.00 0.00 C ATOM 921 O GLN A 59 2.473 9.290 9.524 1.00 0.00 O ATOM 922 CB GLN A 59 3.403 11.993 10.753 1.00 0.00 C ATOM 923 CG GLN A 59 4.764 11.574 11.312 1.00 0.00 C ATOM 924 CD GLN A 59 4.966 12.183 12.699 1.00 0.00 C ATOM 925 OE1 GLN A 59 4.106 12.880 13.203 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.078 11.952 13.343 1.00 0.00 N ATOM 0 H GLN A 59 1.264 12.152 9.426 1.00 0.00 H new ATOM 0 HA GLN A 59 4.100 11.964 8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.289 13.075 10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.602 11.555 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.824 10.487 11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.559 11.902 10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.800 11.368 12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.225 12.356 14.268 1.00 0.00 H new ATOM 935 N LEU A 60 4.563 9.538 8.869 1.00 0.00 N ATOM 936 CA LEU A 60 4.810 8.066 8.780 1.00 0.00 C ATOM 937 C LEU A 60 6.071 7.723 9.563 1.00 0.00 C ATOM 938 O LEU A 60 6.971 8.527 9.700 1.00 0.00 O ATOM 939 CB LEU A 60 4.992 7.659 7.316 1.00 0.00 C ATOM 940 CG LEU A 60 3.701 7.943 6.536 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.917 7.614 5.054 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.553 7.079 7.092 1.00 0.00 C ATOM 0 H LEU A 60 5.365 10.117 8.622 1.00 0.00 H new ATOM 0 HA LEU A 60 3.959 7.528 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.823 8.210 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.242 6.600 7.251 1.00 0.00 H new ATOM 0 HG LEU A 60 3.441 8.996 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.001 7.815 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.724 8.231 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.180 6.561 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.639 7.285 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.810 6.024 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.397 7.315 8.145 1.00 0.00 H new ATOM 954 N GLN A 61 6.131 6.528 10.090 1.00 0.00 N ATOM 955 CA GLN A 61 7.321 6.097 10.893 1.00 0.00 C ATOM 956 C GLN A 61 8.126 5.050 10.121 1.00 0.00 C ATOM 957 O GLN A 61 7.586 4.217 9.420 1.00 0.00 O ATOM 958 CB GLN A 61 6.845 5.495 12.217 1.00 0.00 C ATOM 959 CG GLN A 61 6.167 6.575 13.067 1.00 0.00 C ATOM 960 CD GLN A 61 7.206 7.600 13.527 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.559 8.500 12.791 1.00 0.00 O ATOM 962 NE2 GLN A 61 7.714 7.500 14.725 1.00 0.00 N ATOM 0 H GLN A 61 5.400 5.823 9.999 1.00 0.00 H new ATOM 0 HA GLN A 61 7.955 6.963 11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.148 4.679 12.026 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.691 5.071 12.759 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.386 7.069 12.489 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.684 6.120 13.932 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.418 6.745 15.343 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.407 8.177 15.043 1.00 0.00 H new ATOM 971 N ASP A 62 9.426 5.106 10.252 1.00 0.00 N ATOM 972 CA ASP A 62 10.312 4.142 9.535 1.00 0.00 C ATOM 973 C ASP A 62 10.109 2.731 10.084 1.00 0.00 C ATOM 974 O ASP A 62 10.003 2.515 11.274 1.00 0.00 O ATOM 975 CB ASP A 62 11.784 4.549 9.714 1.00 0.00 C ATOM 976 CG ASP A 62 11.971 6.027 9.352 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.045 6.323 8.171 1.00 0.00 O ATOM 978 OD2 ASP A 62 12.055 6.834 10.262 1.00 0.00 O ATOM 0 H ASP A 62 9.917 5.787 10.832 1.00 0.00 H new ATOM 0 HA ASP A 62 10.056 4.157 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.094 4.377 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.420 3.929 9.082 1.00 0.00 H new ATOM 983 N SER A 63 10.061 1.776 9.198 1.00 0.00 N ATOM 984 CA SER A 63 9.868 0.357 9.597 1.00 0.00 C ATOM 985 C SER A 63 8.655 0.249 10.508 1.00 0.00 C ATOM 986 O SER A 63 8.767 0.185 11.716 1.00 0.00 O ATOM 987 CB SER A 63 11.120 -0.164 10.298 1.00 0.00 C ATOM 988 OG SER A 63 10.797 -1.345 11.019 1.00 0.00 O ATOM 0 H SER A 63 10.150 1.925 8.193 1.00 0.00 H new ATOM 0 HA SER A 63 9.697 -0.252 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.900 -0.373 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.513 0.594 10.976 1.00 0.00 H new ATOM 0 HG SER A 63 10.200 -1.121 11.763 1.00 0.00 H new ATOM 994 N ASP A 64 7.491 0.229 9.919 1.00 0.00 N ATOM 995 CA ASP A 64 6.235 0.128 10.719 1.00 0.00 C ATOM 996 C ASP A 64 5.131 -0.523 9.886 1.00 0.00 C ATOM 997 O ASP A 64 4.767 -0.051 8.827 1.00 0.00 O ATOM 998 CB ASP A 64 5.792 1.523 11.163 1.00 0.00 C ATOM 999 CG ASP A 64 5.629 2.436 9.944 1.00 0.00 C ATOM 1000 OD1 ASP A 64 6.018 2.028 8.862 1.00 0.00 O ATOM 1001 OD2 ASP A 64 5.122 3.532 10.119 1.00 0.00 O ATOM 0 H ASP A 64 7.354 0.279 8.909 1.00 0.00 H new ATOM 0 HA ASP A 64 6.424 -0.488 11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.850 1.458 11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.527 1.946 11.848 1.00 0.00 H new ATOM 1006 N VAL A 65 4.602 -1.615 10.373 1.00 0.00 N ATOM 1007 CA VAL A 65 3.515 -2.335 9.646 1.00 0.00 C ATOM 1008 C VAL A 65 2.213 -1.556 9.778 1.00 0.00 C ATOM 1009 O VAL A 65 1.704 -1.331 10.862 1.00 0.00 O ATOM 1010 CB VAL A 65 3.348 -3.745 10.231 1.00 0.00 C ATOM 1011 CG1 VAL A 65 4.406 -4.674 9.633 1.00 0.00 C ATOM 1012 CG2 VAL A 65 3.514 -3.701 11.757 1.00 0.00 C ATOM 0 H VAL A 65 4.881 -2.044 11.255 1.00 0.00 H new ATOM 0 HA VAL A 65 3.775 -2.419 8.591 1.00 0.00 H new ATOM 0 HB VAL A 65 2.353 -4.117 9.988 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.288 -5.675 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.285 -4.714 8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.400 -4.296 9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.394 -4.705 12.165 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.507 -3.325 12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.759 -3.042 12.186 1.00 0.00 H new ATOM 1022 N VAL A 66 1.671 -1.140 8.667 1.00 0.00 N ATOM 1023 CA VAL A 66 0.402 -0.363 8.686 1.00 0.00 C ATOM 1024 C VAL A 66 -0.493 -0.785 7.524 1.00 0.00 C ATOM 1025 O VAL A 66 -0.086 -1.474 6.597 1.00 0.00 O ATOM 1026 CB VAL A 66 0.710 1.129 8.560 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.616 1.563 9.713 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.410 1.409 7.227 1.00 0.00 C ATOM 0 H VAL A 66 2.058 -1.307 7.738 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.112 -0.558 9.627 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.224 1.690 8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.835 2.627 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.113 1.375 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.547 0.996 9.678 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.626 2.474 7.146 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.342 0.846 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.761 1.107 6.405 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.726 -0.354 7.577 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.709 -0.675 6.503 1.00 0.00 C ATOM 1040 C ARG A 67 -3.091 0.611 5.778 1.00 0.00 C ATOM 1041 O ARG A 67 -3.516 1.577 6.380 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.951 -1.322 7.126 1.00 0.00 C ATOM 1043 CG ARG A 67 -5.059 -1.425 6.069 1.00 0.00 C ATOM 1044 CD ARG A 67 -6.199 -2.304 6.586 1.00 0.00 C ATOM 1045 NE ARG A 67 -5.726 -3.714 6.709 1.00 0.00 N ATOM 1046 CZ ARG A 67 -6.480 -4.623 7.275 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.659 -4.308 7.748 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -6.053 -5.851 7.369 1.00 0.00 N ATOM 0 H ARG A 67 -2.099 0.218 8.335 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.269 -1.372 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.705 -2.313 7.508 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.296 -0.730 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.436 -0.431 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.655 -1.844 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.543 -1.939 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.049 -2.253 5.905 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.807 -3.972 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.997 -3.348 7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.240 -5.022 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.135 -6.101 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.637 -6.562 7.809 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.953 0.614 4.479 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.307 1.819 3.670 1.00 0.00 C ATOM 1064 C ILE A 68 -4.611 1.566 2.926 1.00 0.00 C ATOM 1065 O ILE A 68 -4.714 0.676 2.104 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.185 2.112 2.664 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -0.930 2.562 3.423 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -2.636 3.215 1.707 1.00 0.00 C ATOM 1069 CD1 ILE A 68 0.265 2.638 2.465 1.00 0.00 C ATOM 0 H ILE A 68 -2.606 -0.177 3.936 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.429 2.677 4.331 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.958 1.212 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.102 3.536 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.714 1.864 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.840 3.424 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.528 2.890 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.861 4.119 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.151 2.958 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.444 1.656 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.050 3.354 1.672 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.606 2.360 3.220 1.00 0.00 N ATOM 1082 CA ASP A 69 -6.936 2.216 2.558 1.00 0.00 C ATOM 1083 C ASP A 69 -7.317 3.518 1.855 1.00 0.00 C ATOM 1084 O ASP A 69 -6.931 4.602 2.254 1.00 0.00 O ATOM 1085 CB ASP A 69 -7.998 1.884 3.606 1.00 0.00 C ATOM 1086 CG ASP A 69 -7.793 0.455 4.108 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.026 -0.263 3.492 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.409 0.103 5.100 1.00 0.00 O ATOM 0 H ASP A 69 -5.552 3.116 3.903 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.878 1.413 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.934 2.585 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.994 1.990 3.176 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.090 3.392 0.813 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.554 4.572 0.033 1.00 0.00 C ATOM 1095 C ASN A 70 -7.352 5.306 -0.559 1.00 0.00 C ATOM 1096 O ASN A 70 -7.337 6.516 -0.658 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.353 5.501 0.949 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.096 6.534 0.103 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -9.723 6.798 -1.022 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -11.145 7.129 0.600 1.00 0.00 N ATOM 0 H ASN A 70 -8.428 2.496 0.461 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.195 4.244 -0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.062 4.923 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.685 6.002 1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.653 7.817 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.458 6.907 1.545 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.353 4.571 -0.978 1.00 0.00 N ATOM 1108 CA ALA A 71 -5.144 5.205 -1.586 1.00 0.00 C ATOM 1109 C ALA A 71 -5.318 5.283 -3.099 1.00 0.00 C ATOM 1110 O ALA A 71 -5.941 4.439 -3.711 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.903 4.369 -1.245 1.00 0.00 C ATOM 0 H ALA A 71 -6.323 3.553 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.018 6.212 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.020 4.830 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.783 4.321 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.023 3.361 -1.642 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.771 6.307 -3.700 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.902 6.485 -5.178 1.00 0.00 C ATOM 1119 C ARG A 72 -3.611 6.101 -5.886 1.00 0.00 C ATOM 1120 O ARG A 72 -2.527 6.180 -5.345 1.00 0.00 O ATOM 1121 CB ARG A 72 -5.236 7.948 -5.484 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.034 8.843 -5.168 1.00 0.00 C ATOM 1123 CD ARG A 72 -4.453 10.311 -5.275 1.00 0.00 C ATOM 1124 NE ARG A 72 -3.286 11.190 -4.962 1.00 0.00 N ATOM 1125 CZ ARG A 72 -2.457 11.568 -5.905 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -2.624 11.169 -7.139 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -1.459 12.352 -5.607 1.00 0.00 N ATOM 0 H ARG A 72 -4.234 7.034 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.700 5.836 -5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.511 8.054 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.098 8.263 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.662 8.631 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.219 8.634 -5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.821 10.522 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.272 10.517 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.132 11.500 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.405 10.558 -7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.973 11.469 -7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.327 12.667 -4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.810 12.650 -6.335 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.742 5.695 -7.114 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.552 5.293 -7.923 1.00 0.00 C ATOM 1143 C VAL A 73 -2.158 6.435 -8.853 1.00 0.00 C ATOM 1144 O VAL A 73 -2.979 7.017 -9.534 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.895 4.049 -8.751 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.764 3.769 -9.745 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.061 2.846 -7.819 1.00 0.00 C ATOM 0 H VAL A 73 -4.634 5.622 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.719 5.067 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.824 4.220 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.008 2.885 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.643 4.625 -10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.835 3.598 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.305 1.961 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.132 2.676 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.865 3.043 -7.110 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.893 6.751 -8.884 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.404 7.852 -9.766 1.00 0.00 C ATOM 1159 C ALA A 74 0.975 7.506 -10.318 1.00 0.00 C ATOM 1160 O ALA A 74 1.719 6.734 -9.744 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.316 9.148 -8.965 1.00 0.00 C ATOM 0 H ALA A 74 -0.170 6.290 -8.332 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.101 7.978 -10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.041 9.951 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.302 9.405 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.376 9.016 -8.134 1.00 0.00 H new ATOM 1167 N GLN A 75 1.309 8.085 -11.440 1.00 0.00 N ATOM 1168 CA GLN A 75 2.632 7.826 -12.084 1.00 0.00 C ATOM 1169 C GLN A 75 3.474 9.094 -12.033 1.00 0.00 C ATOM 1170 O GLN A 75 3.115 10.119 -12.577 1.00 0.00 O ATOM 1171 CB GLN A 75 2.417 7.413 -13.544 1.00 0.00 C ATOM 1172 CG GLN A 75 3.775 7.108 -14.183 1.00 0.00 C ATOM 1173 CD GLN A 75 3.577 6.550 -15.594 1.00 0.00 C ATOM 1174 OE1 GLN A 75 3.020 7.209 -16.449 1.00 0.00 O ATOM 1175 NE2 GLN A 75 4.023 5.356 -15.878 1.00 0.00 N ATOM 0 H GLN A 75 0.711 8.738 -11.947 1.00 0.00 H new ATOM 0 HA GLN A 75 3.146 7.025 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.772 6.536 -13.596 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.915 8.211 -14.091 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.379 8.015 -14.223 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.320 6.389 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.491 4.802 -15.160 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.904 4.977 -16.817 1.00 0.00 H new ATOM 1184 N PHE A 76 4.602 9.017 -11.380 1.00 0.00 N ATOM 1185 CA PHE A 76 5.516 10.196 -11.268 1.00 0.00 C ATOM 1186 C PHE A 76 6.886 9.849 -11.851 1.00 0.00 C ATOM 1187 O PHE A 76 7.462 8.820 -11.563 1.00 0.00 O ATOM 1188 CB PHE A 76 5.675 10.581 -9.795 1.00 0.00 C ATOM 1189 CG PHE A 76 4.404 11.238 -9.309 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.102 12.546 -9.707 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.530 10.543 -8.465 1.00 0.00 C ATOM 1192 CE1 PHE A 76 2.925 13.159 -9.260 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.354 11.156 -8.018 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.052 12.464 -8.416 1.00 0.00 C ATOM 0 H PHE A 76 4.936 8.175 -10.911 1.00 0.00 H new ATOM 0 HA PHE A 76 5.090 11.032 -11.822 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.891 9.695 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.518 11.261 -9.674 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.776 13.082 -10.358 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.763 9.534 -8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.691 14.168 -9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.680 10.620 -7.366 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.144 12.937 -8.071 1.00 0.00 H new ATOM 1204 N ASN A 77 7.398 10.724 -12.668 1.00 0.00 N ATOM 1205 CA ASN A 77 8.729 10.515 -13.303 1.00 0.00 C ATOM 1206 C ASN A 77 8.727 9.214 -14.103 1.00 0.00 C ATOM 1207 O ASN A 77 9.762 8.641 -14.380 1.00 0.00 O ATOM 1208 CB ASN A 77 9.818 10.480 -12.230 1.00 0.00 C ATOM 1209 CG ASN A 77 11.189 10.399 -12.901 1.00 0.00 C ATOM 1210 OD1 ASN A 77 11.767 9.337 -12.999 1.00 0.00 O ATOM 1211 ND2 ASN A 77 11.741 11.484 -13.371 1.00 0.00 N ATOM 0 H ASN A 77 6.939 11.597 -12.929 1.00 0.00 H new ATOM 0 HA ASN A 77 8.935 11.342 -13.983 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.758 11.372 -11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.670 9.622 -11.574 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.656 11.438 -13.819 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.257 12.378 -13.290 1.00 0.00 H new ATOM 1218 N GLY A 78 7.567 8.764 -14.500 1.00 0.00 N ATOM 1219 CA GLY A 78 7.468 7.515 -15.310 1.00 0.00 C ATOM 1220 C GLY A 78 7.423 6.302 -14.389 1.00 0.00 C ATOM 1221 O GLY A 78 7.464 5.178 -14.841 1.00 0.00 O ATOM 0 H GLY A 78 6.674 9.213 -14.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.573 7.544 -15.931 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.321 7.440 -15.984 1.00 0.00 H new ATOM 1225 N TYR A 79 7.336 6.519 -13.099 1.00 0.00 N ATOM 1226 CA TYR A 79 7.290 5.372 -12.133 1.00 0.00 C ATOM 1227 C TYR A 79 5.965 5.376 -11.369 1.00 0.00 C ATOM 1228 O TYR A 79 5.477 6.398 -10.926 1.00 0.00 O ATOM 1229 CB TYR A 79 8.459 5.480 -11.148 1.00 0.00 C ATOM 1230 CG TYR A 79 9.770 5.287 -11.886 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.235 3.994 -12.168 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.522 6.399 -12.284 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.449 3.818 -12.848 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.734 6.222 -12.962 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.197 4.932 -13.244 1.00 0.00 C ATOM 1236 OH TYR A 79 13.393 4.760 -13.913 1.00 0.00 O ATOM 0 H TYR A 79 7.295 7.444 -12.670 1.00 0.00 H new ATOM 0 HA TYR A 79 7.371 4.438 -12.689 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.446 6.454 -10.659 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.358 4.729 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.658 3.134 -11.861 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.166 7.395 -12.067 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.806 2.822 -13.066 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.312 7.082 -13.268 1.00 0.00 H new ATOM 0 HH TYR A 79 13.783 5.636 -14.116 1.00 0.00 H new ATOM 1246 N LEU A 80 5.389 4.216 -11.226 1.00 0.00 N ATOM 1247 CA LEU A 80 4.092 4.077 -10.510 1.00 0.00 C ATOM 1248 C LEU A 80 4.307 4.189 -9.008 1.00 0.00 C ATOM 1249 O LEU A 80 5.307 3.755 -8.472 1.00 0.00 O ATOM 1250 CB LEU A 80 3.479 2.708 -10.833 1.00 0.00 C ATOM 1251 CG LEU A 80 3.308 2.566 -12.350 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.730 1.185 -12.673 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.355 3.656 -12.869 1.00 0.00 C ATOM 0 H LEU A 80 5.771 3.340 -11.583 1.00 0.00 H new ATOM 0 HA LEU A 80 3.420 4.872 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.120 1.912 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.514 2.604 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 80 4.279 2.676 -12.834 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.609 1.085 -13.752 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.409 0.413 -12.311 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.761 1.073 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.236 3.552 -13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.384 3.551 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.769 4.639 -12.643 1.00 0.00 H new ATOM 1265 N SER A 81 3.359 4.769 -8.331 1.00 0.00 N ATOM 1266 CA SER A 81 3.466 4.924 -6.857 1.00 0.00 C ATOM 1267 C SER A 81 2.076 5.083 -6.249 1.00 0.00 C ATOM 1268 O SER A 81 1.121 5.424 -6.921 1.00 0.00 O ATOM 1269 CB SER A 81 4.305 6.156 -6.532 1.00 0.00 C ATOM 1270 OG SER A 81 3.629 7.323 -6.984 1.00 0.00 O ATOM 0 H SER A 81 2.505 5.147 -8.741 1.00 0.00 H new ATOM 0 HA SER A 81 3.942 4.037 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.480 6.217 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.282 6.080 -7.010 1.00 0.00 H new ATOM 0 HG SER A 81 4.083 8.119 -6.637 1.00 0.00 H new ATOM 1276 N LEU A 82 1.966 4.832 -4.973 1.00 0.00 N ATOM 1277 CA LEU A 82 0.648 4.947 -4.277 1.00 0.00 C ATOM 1278 C LEU A 82 0.636 6.222 -3.439 1.00 0.00 C ATOM 1279 O LEU A 82 1.300 6.329 -2.425 1.00 0.00 O ATOM 1280 CB LEU A 82 0.441 3.726 -3.373 1.00 0.00 C ATOM 1281 CG LEU A 82 0.612 2.435 -4.188 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.455 1.225 -3.263 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.450 2.370 -5.295 1.00 0.00 C ATOM 0 H LEU A 82 2.741 4.549 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.157 4.988 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.158 3.745 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.554 3.756 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 82 1.603 2.427 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.576 0.308 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.213 1.264 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.536 1.240 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.322 1.452 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.444 2.383 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.339 3.229 -5.956 1.00 0.00 H new ATOM 1295 N SER A 83 -0.125 7.188 -3.872 1.00 0.00 N ATOM 1296 CA SER A 83 -0.216 8.482 -3.138 1.00 0.00 C ATOM 1297 C SER A 83 -1.322 8.405 -2.095 1.00 0.00 C ATOM 1298 O SER A 83 -2.371 7.831 -2.316 1.00 0.00 O ATOM 1299 CB SER A 83 -0.511 9.609 -4.131 1.00 0.00 C ATOM 1300 OG SER A 83 0.688 9.951 -4.811 1.00 0.00 O ATOM 0 H SER A 83 -0.696 7.135 -4.715 1.00 0.00 H new ATOM 0 HA SER A 83 0.730 8.683 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.272 9.293 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.908 10.478 -3.607 1.00 0.00 H new ATOM 0 HG SER A 83 0.507 10.671 -5.450 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.079 8.988 -0.953 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.084 8.979 0.151 1.00 0.00 C ATOM 1308 C VAL A 84 -2.435 10.415 0.540 1.00 0.00 C ATOM 1309 O VAL A 84 -1.577 11.232 0.828 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.496 8.244 1.354 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.558 8.134 2.445 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -1.058 6.842 0.922 1.00 0.00 C ATOM 0 H VAL A 84 -0.212 9.479 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.990 8.471 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.636 8.792 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.143 7.610 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.875 9.132 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.416 7.581 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.637 6.313 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.920 6.292 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.305 6.922 0.138 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.704 10.717 0.544 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.178 12.087 0.901 1.00 0.00 C ATOM 1324 C GLY A 85 -4.661 12.120 2.351 1.00 0.00 C ATOM 1325 O GLY A 85 -4.757 11.109 3.015 1.00 0.00 O ATOM 0 H GLY A 85 -4.448 10.060 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.371 12.806 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.987 12.385 0.234 1.00 0.00 H new ATOM 1329 N ASP A 86 -4.977 13.290 2.832 1.00 0.00 N ATOM 1330 CA ASP A 86 -5.469 13.435 4.232 1.00 0.00 C ATOM 1331 C ASP A 86 -6.859 12.813 4.338 1.00 0.00 C ATOM 1332 O ASP A 86 -7.339 12.518 5.414 1.00 0.00 O ATOM 1333 CB ASP A 86 -5.547 14.925 4.592 1.00 0.00 C ATOM 1334 CG ASP A 86 -4.134 15.490 4.754 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -3.211 14.701 4.871 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -3.999 16.704 4.761 1.00 0.00 O ATOM 0 H ASP A 86 -4.915 14.163 2.308 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.787 12.932 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.080 15.470 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.110 15.057 5.516 1.00 0.00 H new ATOM 1341 N SER A 87 -7.506 12.619 3.221 1.00 0.00 N ATOM 1342 CA SER A 87 -8.871 12.019 3.222 1.00 0.00 C ATOM 1343 C SER A 87 -8.740 10.495 3.253 1.00 0.00 C ATOM 1344 O SER A 87 -9.714 9.779 3.365 1.00 0.00 O ATOM 1345 CB SER A 87 -9.608 12.449 1.946 1.00 0.00 C ATOM 1346 OG SER A 87 -9.773 13.862 1.954 1.00 0.00 O ATOM 0 H SER A 87 -7.143 12.853 2.297 1.00 0.00 H new ATOM 0 HA SER A 87 -9.431 12.356 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.044 12.142 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.579 11.958 1.890 1.00 0.00 H new ATOM 0 HG SER A 87 -10.242 14.141 1.140 1.00 0.00 H new ATOM 1352 N SER A 88 -7.531 10.001 3.155 1.00 0.00 N ATOM 1353 CA SER A 88 -7.300 8.526 3.173 1.00 0.00 C ATOM 1354 C SER A 88 -7.410 7.992 4.592 1.00 0.00 C ATOM 1355 O SER A 88 -7.452 8.736 5.550 1.00 0.00 O ATOM 1356 CB SER A 88 -5.901 8.215 2.633 1.00 0.00 C ATOM 1357 OG SER A 88 -4.939 8.386 3.669 1.00 0.00 O ATOM 0 H SER A 88 -6.686 10.564 3.062 1.00 0.00 H new ATOM 0 HA SER A 88 -8.055 8.049 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.865 7.193 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.669 8.873 1.796 1.00 0.00 H new ATOM 0 HG SER A 88 -4.687 9.331 3.729 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.451 6.692 4.723 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.561 6.057 6.072 1.00 0.00 C ATOM 1365 C ARG A 89 -6.380 5.123 6.302 1.00 0.00 C ATOM 1366 O ARG A 89 -6.136 4.201 5.550 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.865 5.265 6.150 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.018 4.676 7.553 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.346 3.921 7.648 1.00 0.00 C ATOM 1370 NE ARG A 89 -10.566 3.480 9.056 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.638 2.803 9.380 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -12.539 2.510 8.476 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.810 2.418 10.614 1.00 0.00 N ATOM 0 H ARG A 89 -7.413 6.035 3.944 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.556 6.831 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.711 5.913 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.864 4.468 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.188 4.003 7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.985 5.471 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.166 4.562 7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.335 3.058 6.983 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.876 3.708 9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.408 2.810 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.371 1.982 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.111 2.645 11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.644 1.890 10.872 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.658 5.360 7.364 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.481 4.506 7.707 1.00 0.00 C ATOM 1389 C ILE A 90 -4.642 3.949 9.119 1.00 0.00 C ATOM 1390 O ILE A 90 -4.894 4.670 10.064 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.208 5.342 7.632 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.983 5.791 6.184 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.020 4.497 8.095 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.874 6.853 6.127 1.00 0.00 C ATOM 0 H ILE A 90 -5.836 6.121 8.019 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.417 3.679 6.999 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.304 6.217 8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.709 4.935 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.907 6.197 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.108 5.092 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.183 4.172 9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.921 3.624 7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.722 7.165 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.164 7.715 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.948 6.433 6.519 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.488 2.657 9.256 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.618 1.999 10.596 1.00 0.00 C ATOM 1408 C GLU A 91 -3.367 1.174 10.897 1.00 0.00 C ATOM 1409 O GLU A 91 -2.990 0.289 10.155 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.846 1.088 10.596 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.113 1.943 10.513 1.00 0.00 C ATOM 1412 CD GLU A 91 -8.342 1.034 10.431 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -8.166 -0.172 10.452 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.439 1.563 10.349 1.00 0.00 O ATOM 0 H GLU A 91 -4.275 2.020 8.488 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.730 2.765 11.363 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.802 0.400 9.752 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.862 0.481 11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.185 2.590 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.069 2.592 9.638 1.00 0.00 H new ATOM 1421 N SER A 92 -2.731 1.469 11.995 1.00 0.00 N ATOM 1422 CA SER A 92 -1.500 0.729 12.396 1.00 0.00 C ATOM 1423 C SER A 92 -1.876 -0.656 12.904 1.00 0.00 C ATOM 1424 O SER A 92 -2.894 -0.840 13.540 1.00 0.00 O ATOM 1425 CB SER A 92 -0.776 1.502 13.500 1.00 0.00 C ATOM 1426 OG SER A 92 0.382 0.781 13.892 1.00 0.00 O ATOM 0 H SER A 92 -3.016 2.203 12.643 1.00 0.00 H new ATOM 0 HA SER A 92 -0.842 0.628 11.533 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.498 2.494 13.144 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.437 1.644 14.355 1.00 0.00 H new ATOM 0 HG SER A 92 0.850 1.273 14.598 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.049 -1.632 12.622 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.330 -3.035 13.072 1.00 0.00 C ATOM 1434 C VAL A 93 -0.282 -3.484 14.091 1.00 0.00 C ATOM 1435 O VAL A 93 0.907 -3.325 13.902 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.319 -3.972 11.859 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -2.619 -3.789 11.071 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -0.127 -3.651 10.947 1.00 0.00 C ATOM 0 H VAL A 93 -0.183 -1.518 12.095 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.311 -3.069 13.546 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.232 -5.001 12.207 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.617 -4.453 10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.469 -4.028 11.710 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.698 -2.755 10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.133 -4.325 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.202 -2.621 10.599 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.802 -3.779 11.503 1.00 0.00 H new ATOM 1448 N ASN A 94 -0.744 -4.040 15.178 1.00 0.00 N ATOM 1449 CA ASN A 94 0.171 -4.513 16.257 1.00 0.00 C ATOM 1450 C ASN A 94 0.850 -5.819 15.844 1.00 0.00 C ATOM 1451 O ASN A 94 0.476 -6.458 14.881 1.00 0.00 O ATOM 1452 CB ASN A 94 -0.639 -4.752 17.538 1.00 0.00 C ATOM 1453 CG ASN A 94 0.312 -4.912 18.726 1.00 0.00 C ATOM 1454 OD1 ASN A 94 0.404 -5.974 19.309 1.00 0.00 O ATOM 1455 ND2 ASN A 94 1.028 -3.893 19.113 1.00 0.00 N ATOM 0 H ASN A 94 -1.735 -4.189 15.367 1.00 0.00 H new ATOM 0 HA ASN A 94 0.934 -3.754 16.431 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -1.317 -3.917 17.712 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -1.255 -5.645 17.429 1.00 0.00 H new ATOM 0 HD21 ASN A 94 1.664 -3.988 19.904 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.952 -3.001 18.624 1.00 0.00 H new ATOM 1462 N VAL A 95 1.854 -6.201 16.583 1.00 0.00 N ATOM 1463 CA VAL A 95 2.612 -7.453 16.292 1.00 0.00 C ATOM 1464 C VAL A 95 3.091 -7.443 14.839 1.00 0.00 C ATOM 1465 O VAL A 95 4.065 -6.800 14.503 1.00 0.00 O ATOM 1466 CB VAL A 95 1.725 -8.685 16.525 1.00 0.00 C ATOM 1467 CG1 VAL A 95 2.564 -9.954 16.316 1.00 0.00 C ATOM 1468 CG2 VAL A 95 1.173 -8.673 17.955 1.00 0.00 C ATOM 0 H VAL A 95 2.190 -5.686 17.397 1.00 0.00 H new ATOM 0 HA VAL A 95 3.470 -7.501 16.962 1.00 0.00 H new ATOM 0 HB VAL A 95 0.892 -8.667 15.822 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.941 -10.833 16.480 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.953 -9.969 15.298 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.395 -9.961 17.022 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.545 -9.551 18.110 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.000 -8.689 18.665 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.580 -7.771 18.109 1.00 0.00 H new ATOM 1478 N ASN A 96 2.419 -8.162 13.982 1.00 0.00 N ATOM 1479 CA ASN A 96 2.823 -8.213 12.551 1.00 0.00 C ATOM 1480 C ASN A 96 1.658 -8.757 11.714 1.00 0.00 C ATOM 1481 O ASN A 96 1.546 -9.943 11.470 1.00 0.00 O ATOM 1482 CB ASN A 96 4.056 -9.110 12.407 1.00 0.00 C ATOM 1483 CG ASN A 96 4.582 -9.037 10.972 1.00 0.00 C ATOM 1484 OD1 ASN A 96 4.111 -9.743 10.103 1.00 0.00 O ATOM 1485 ND2 ASN A 96 5.551 -8.210 10.687 1.00 0.00 N ATOM 0 H ASN A 96 1.599 -8.722 14.216 1.00 0.00 H new ATOM 0 HA ASN A 96 3.072 -7.213 12.195 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.831 -8.794 13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.800 -10.139 12.659 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.912 -8.157 9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.947 -7.617 11.417 1.00 0.00 H new ATOM 1492 N ILE A 97 0.796 -7.878 11.276 1.00 0.00 N ATOM 1493 CA ILE A 97 -0.379 -8.282 10.448 1.00 0.00 C ATOM 1494 C ILE A 97 -1.117 -9.443 11.113 1.00 0.00 C ATOM 1495 O ILE A 97 -0.988 -10.581 10.709 1.00 0.00 O ATOM 1496 CB ILE A 97 0.092 -8.702 9.051 1.00 0.00 C ATOM 1497 CG1 ILE A 97 0.926 -7.575 8.427 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -1.128 -8.977 8.170 1.00 0.00 C ATOM 1499 CD1 ILE A 97 1.562 -8.068 7.123 1.00 0.00 C ATOM 0 H ILE A 97 0.858 -6.877 11.461 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.058 -7.434 10.361 1.00 0.00 H new ATOM 0 HB ILE A 97 0.702 -9.602 9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.295 -6.708 8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.701 -7.254 9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.798 -9.276 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.722 -9.777 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.734 -8.074 8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.154 -7.266 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.206 -8.922 7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.779 -8.367 6.426 1.00 0.00 H new ATOM 1511 N PRO A 98 -1.893 -9.159 12.128 1.00 0.00 N ATOM 1512 CA PRO A 98 -2.671 -10.201 12.858 1.00 0.00 C ATOM 1513 C PRO A 98 -3.647 -10.942 11.943 1.00 0.00 C ATOM 1514 O PRO A 98 -4.184 -10.385 11.006 1.00 0.00 O ATOM 1515 CB PRO A 98 -3.421 -9.421 13.955 1.00 0.00 C ATOM 1516 CG PRO A 98 -2.694 -8.118 14.081 1.00 0.00 C ATOM 1517 CD PRO A 98 -2.116 -7.819 12.696 1.00 0.00 C ATOM 0 HA PRO A 98 -2.021 -10.977 13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.465 -9.264 13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.416 -9.967 14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.369 -7.324 14.401 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.903 -8.184 14.828 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -2.807 -7.234 12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.189 -7.250 12.761 1.00 0.00 H new ATOM 1525 N LEU A 99 -3.861 -12.197 12.215 1.00 0.00 N ATOM 1526 CA LEU A 99 -4.776 -13.012 11.374 1.00 0.00 C ATOM 1527 C LEU A 99 -6.201 -12.485 11.479 1.00 0.00 C ATOM 1528 O LEU A 99 -6.716 -12.239 12.551 1.00 0.00 O ATOM 1529 CB LEU A 99 -4.730 -14.477 11.836 1.00 0.00 C ATOM 1530 CG LEU A 99 -5.710 -15.317 11.002 1.00 0.00 C ATOM 1531 CD1 LEU A 99 -5.376 -15.177 9.508 1.00 0.00 C ATOM 1532 CD2 LEU A 99 -5.604 -16.786 11.416 1.00 0.00 C ATOM 0 H LEU A 99 -3.435 -12.698 12.994 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.454 -12.947 10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.719 -14.870 11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.988 -14.543 12.893 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.726 -14.963 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.074 -15.775 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.458 -14.131 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.359 -15.526 9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.299 -17.382 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.587 -17.140 11.246 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.850 -16.885 12.473 1.00 0.00 H new ATOM 1544 N GLU A 100 -6.839 -12.325 10.354 1.00 0.00 N ATOM 1545 CA GLU A 100 -8.235 -11.815 10.329 1.00 0.00 C ATOM 1546 C GLU A 100 -9.179 -12.837 10.959 1.00 0.00 C ATOM 1547 O GLU A 100 -9.114 -14.018 10.684 1.00 0.00 O ATOM 1548 CB GLU A 100 -8.646 -11.544 8.876 1.00 0.00 C ATOM 1549 CG GLU A 100 -7.833 -10.363 8.335 1.00 0.00 C ATOM 1550 CD GLU A 100 -8.170 -10.133 6.860 1.00 0.00 C ATOM 1551 OE1 GLU A 100 -8.988 -10.872 6.335 1.00 0.00 O ATOM 1552 OE2 GLU A 100 -7.605 -9.220 6.279 1.00 0.00 O ATOM 0 H GLU A 100 -6.444 -12.530 9.436 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.294 -10.890 10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.473 -12.430 8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.712 -11.322 8.822 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.052 -9.464 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.767 -10.562 8.447 1.00 0.00 H new ATOM 1559 N HIS A 101 -10.060 -12.377 11.803 1.00 0.00 N ATOM 1560 CA HIS A 101 -11.029 -13.294 12.468 1.00 0.00 C ATOM 1561 C HIS A 101 -12.311 -12.537 12.808 1.00 0.00 C ATOM 1562 O HIS A 101 -12.285 -11.449 13.353 1.00 0.00 O ATOM 1563 CB HIS A 101 -10.405 -13.856 13.747 1.00 0.00 C ATOM 1564 CG HIS A 101 -11.273 -14.963 14.277 1.00 0.00 C ATOM 1565 ND1 HIS A 101 -11.318 -16.213 13.682 1.00 0.00 N ATOM 1566 CD2 HIS A 101 -12.138 -15.024 15.342 1.00 0.00 C ATOM 1567 CE1 HIS A 101 -12.184 -16.966 14.383 1.00 0.00 C ATOM 1568 NE2 HIS A 101 -12.713 -16.289 15.407 1.00 0.00 N ATOM 0 H HIS A 101 -10.151 -11.395 12.063 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.270 -14.115 11.792 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.402 -14.231 13.542 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.304 -13.068 14.493 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -10.790 -16.509 12.861 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.341 -14.213 16.025 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.423 -17.993 14.147 1.00 0.00 H new ATOM 1576 N HIS A 102 -13.433 -13.121 12.494 1.00 0.00 N ATOM 1577 CA HIS A 102 -14.746 -12.474 12.791 1.00 0.00 C ATOM 1578 C HIS A 102 -15.776 -13.554 13.132 1.00 0.00 C ATOM 1579 O HIS A 102 -16.455 -14.084 12.273 1.00 0.00 O ATOM 1580 CB HIS A 102 -15.211 -11.665 11.576 1.00 0.00 C ATOM 1581 CG HIS A 102 -14.364 -10.425 11.444 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -13.146 -10.421 10.780 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -14.552 -9.138 11.885 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -12.654 -9.169 10.840 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -13.472 -8.347 11.502 1.00 0.00 N ATOM 0 H HIS A 102 -13.499 -14.031 12.038 1.00 0.00 H new ATOM 0 HA HIS A 102 -14.639 -11.800 13.641 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -15.134 -12.269 10.672 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -16.260 -11.392 11.688 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -15.408 -8.792 12.445 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -11.713 -8.867 10.406 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -13.335 -7.353 11.687 1.00 0.00 H new ATOM 1593 N HIS A 103 -15.892 -13.872 14.393 1.00 0.00 N ATOM 1594 CA HIS A 103 -16.872 -14.906 14.835 1.00 0.00 C ATOM 1595 C HIS A 103 -17.249 -14.676 16.302 1.00 0.00 C ATOM 1596 O HIS A 103 -16.602 -13.938 17.021 1.00 0.00 O ATOM 1597 CB HIS A 103 -16.262 -16.300 14.686 1.00 0.00 C ATOM 1598 CG HIS A 103 -17.262 -17.330 15.132 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -18.398 -17.625 14.394 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -17.317 -18.140 16.241 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -19.081 -18.573 15.060 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -18.465 -18.922 16.193 1.00 0.00 N ATOM 0 H HIS A 103 -15.343 -13.455 15.145 1.00 0.00 H new ATOM 0 HA HIS A 103 -17.764 -14.831 14.214 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -15.979 -16.477 13.648 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.353 -16.377 15.282 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -16.580 -18.165 17.030 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -20.013 -19.000 14.721 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -18.772 -19.614 16.877 1.00 0.00 H new ATOM 1610 N HIS A 104 -18.304 -15.308 16.735 1.00 0.00 N ATOM 1611 CA HIS A 104 -18.778 -15.165 18.141 1.00 0.00 C ATOM 1612 C HIS A 104 -18.826 -13.687 18.526 1.00 0.00 C ATOM 1613 O HIS A 104 -17.924 -13.163 19.148 1.00 0.00 O ATOM 1614 CB HIS A 104 -17.848 -15.932 19.082 1.00 0.00 C ATOM 1615 CG HIS A 104 -18.314 -15.757 20.502 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -19.439 -16.400 20.996 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -17.818 -15.015 21.544 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -19.583 -16.034 22.284 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -18.620 -15.191 22.668 1.00 0.00 N ATOM 0 H HIS A 104 -18.870 -15.932 16.160 1.00 0.00 H new ATOM 0 HA HIS A 104 -19.782 -15.580 18.226 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -17.839 -16.990 18.819 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -16.826 -15.568 18.976 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.939 -14.389 21.499 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -20.379 -16.379 22.927 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -18.499 -14.767 23.588 1.00 0.00 H new ATOM 1627 N HIS A 105 -19.891 -13.026 18.160 1.00 0.00 N ATOM 1628 CA HIS A 105 -20.059 -11.582 18.487 1.00 0.00 C ATOM 1629 C HIS A 105 -18.889 -10.768 17.942 1.00 0.00 C ATOM 1630 O HIS A 105 -17.809 -11.274 17.716 1.00 0.00 O ATOM 1631 CB HIS A 105 -20.157 -11.408 20.007 1.00 0.00 C ATOM 1632 CG HIS A 105 -20.325 -9.950 20.344 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -21.530 -9.282 20.180 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -19.446 -9.018 20.838 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -21.343 -8.007 20.569 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -20.090 -7.793 20.978 1.00 0.00 N ATOM 0 H HIS A 105 -20.666 -13.435 17.638 1.00 0.00 H new ATOM 0 HA HIS A 105 -20.975 -11.220 18.021 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -21.001 -11.980 20.394 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -19.260 -11.800 20.486 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -18.411 -9.207 21.081 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -22.113 -7.249 20.552 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -19.691 -6.919 21.320 1.00 0.00 H new ATOM 1644 N HIS A 106 -19.116 -9.502 17.724 1.00 0.00 N ATOM 1645 CA HIS A 106 -18.047 -8.611 17.192 1.00 0.00 C ATOM 1646 C HIS A 106 -18.538 -7.157 17.229 1.00 0.00 C ATOM 1647 O HIS A 106 -18.138 -6.391 16.367 1.00 0.00 O ATOM 1648 CB HIS A 106 -17.708 -9.016 15.752 1.00 0.00 C ATOM 1649 CG HIS A 106 -18.905 -8.821 14.859 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -19.996 -9.678 14.880 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -19.191 -7.877 13.903 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -20.879 -9.234 13.965 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -20.438 -8.140 13.341 1.00 0.00 N ATOM 1654 OXT HIS A 106 -19.302 -6.833 18.125 1.00 0.00 O ATOM 0 H HIS A 106 -20.010 -9.041 17.894 1.00 0.00 H new ATOM 0 HA HIS A 106 -17.150 -8.704 17.805 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -16.872 -8.420 15.386 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -17.392 -10.059 15.725 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -18.546 -7.055 13.629 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -21.829 -9.706 13.761 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -20.912 -7.610 12.610 1.00 0.00 H new TER 1662 HIS A 106