USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 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 79 SER OG : rot -78:sc= 0.819 USER MOD Set 1.2: A 80 HIS : no HD1:sc= 0 X(o=0.82,f=0.65) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 165:sc= 0.757 (180deg=0.626) USER MOD Set 2.2: A 73 MET CE :methyl -150:sc= -0.137 (180deg=-0.796) USER MOD Set 3.1: A 47 ASN : amide:sc= -0.906 K(o=-1.1,f=-5.4!) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.165 X(o=-1.1,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -1.2 (180deg=-1.28) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.179) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 150:sc= 0 (180deg=-0.286) USER MOD Single : A 28 THR OG1 : rot 155:sc= -2.46 USER MOD Single : A 38 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-1.8) USER MOD Single : A 39 TYR OH : rot -98:sc=0.000154 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 ASN : amide:sc=-0.000146 X(o=-0.00015,f=-0.00015) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 110:sc=-0.00284 USER MOD Single : A 61 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 75 SER OG : rot -68:sc= 1.13 USER MOD Single : A 76 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-6.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 50:sc= 0.48 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.644 -6.251 -19.990 1.00 0.00 N ATOM 2 CA GLY A 1 0.651 -7.429 -19.140 1.00 0.00 C ATOM 3 C GLY A 1 -0.734 -7.680 -18.541 1.00 0.00 C ATOM 4 O GLY A 1 -1.009 -7.274 -17.413 1.00 0.00 O ATOM 0 H1 GLY A 1 1.595 -6.102 -20.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.035 -6.387 -20.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.368 -5.420 -19.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.964 -8.298 -19.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.380 -7.300 -18.340 1.00 0.00 H new ATOM 8 N SER A 2 -1.569 -8.349 -19.322 1.00 0.00 N ATOM 9 CA SER A 2 -2.919 -8.660 -18.883 1.00 0.00 C ATOM 10 C SER A 2 -3.169 -10.166 -18.986 1.00 0.00 C ATOM 11 O SER A 2 -2.387 -10.888 -19.602 1.00 0.00 O ATOM 12 CB SER A 2 -3.956 -7.892 -19.704 1.00 0.00 C ATOM 13 OG SER A 2 -4.069 -6.534 -19.287 1.00 0.00 O ATOM 0 H SER A 2 -1.337 -8.685 -20.257 1.00 0.00 H new ATOM 0 HA SER A 2 -3.020 -8.352 -17.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.681 -7.926 -20.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.926 -8.381 -19.612 1.00 0.00 H new ATOM 0 HG SER A 2 -4.740 -6.078 -19.837 1.00 0.00 H new ATOM 19 N SER A 3 -4.262 -10.595 -18.373 1.00 0.00 N ATOM 20 CA SER A 3 -4.625 -12.002 -18.388 1.00 0.00 C ATOM 21 C SER A 3 -6.089 -12.169 -17.975 1.00 0.00 C ATOM 22 O SER A 3 -6.892 -12.718 -18.729 1.00 0.00 O ATOM 23 CB SER A 3 -3.717 -12.815 -17.464 1.00 0.00 C ATOM 24 OG SER A 3 -3.778 -14.210 -17.748 1.00 0.00 O ATOM 0 H SER A 3 -4.908 -9.993 -17.863 1.00 0.00 H new ATOM 0 HA SER A 3 -4.495 -12.378 -19.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.689 -12.468 -17.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.007 -12.643 -16.427 1.00 0.00 H new ATOM 0 HG SER A 3 -3.183 -14.694 -17.138 1.00 0.00 H new ATOM 30 N GLY A 4 -6.392 -11.686 -16.779 1.00 0.00 N ATOM 31 CA GLY A 4 -7.745 -11.775 -16.257 1.00 0.00 C ATOM 32 C GLY A 4 -7.816 -12.754 -15.083 1.00 0.00 C ATOM 33 O GLY A 4 -7.613 -13.955 -15.258 1.00 0.00 O ATOM 0 H GLY A 4 -5.724 -11.232 -16.157 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.080 -10.789 -15.934 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.423 -12.099 -17.047 1.00 0.00 H new ATOM 37 N SER A 5 -8.106 -12.205 -13.913 1.00 0.00 N ATOM 38 CA SER A 5 -8.207 -13.015 -12.711 1.00 0.00 C ATOM 39 C SER A 5 -9.677 -13.295 -12.390 1.00 0.00 C ATOM 40 O SER A 5 -10.493 -12.376 -12.353 1.00 0.00 O ATOM 41 CB SER A 5 -7.526 -12.328 -11.525 1.00 0.00 C ATOM 42 OG SER A 5 -6.175 -12.751 -11.367 1.00 0.00 O ATOM 0 H SER A 5 -8.274 -11.209 -13.772 1.00 0.00 H new ATOM 0 HA SER A 5 -7.695 -13.960 -12.892 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.553 -11.248 -11.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.082 -12.544 -10.613 1.00 0.00 H new ATOM 0 HG SER A 5 -5.775 -12.289 -10.601 1.00 0.00 H new ATOM 48 N SER A 6 -9.969 -14.568 -12.166 1.00 0.00 N ATOM 49 CA SER A 6 -11.325 -14.980 -11.850 1.00 0.00 C ATOM 50 C SER A 6 -11.314 -15.961 -10.676 1.00 0.00 C ATOM 51 O SER A 6 -10.350 -16.703 -10.491 1.00 0.00 O ATOM 52 CB SER A 6 -12.006 -15.614 -13.065 1.00 0.00 C ATOM 53 OG SER A 6 -13.343 -15.150 -13.230 1.00 0.00 O ATOM 0 H SER A 6 -9.289 -15.328 -12.197 1.00 0.00 H new ATOM 0 HA SER A 6 -11.895 -14.094 -11.570 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.430 -15.388 -13.962 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.010 -16.698 -12.954 1.00 0.00 H new ATOM 0 HG SER A 6 -13.743 -15.576 -14.017 1.00 0.00 H new ATOM 59 N GLY A 7 -12.396 -15.933 -9.912 1.00 0.00 N ATOM 60 CA GLY A 7 -12.523 -16.810 -8.761 1.00 0.00 C ATOM 61 C GLY A 7 -12.003 -16.130 -7.493 1.00 0.00 C ATOM 62 O GLY A 7 -12.162 -14.923 -7.322 1.00 0.00 O ATOM 0 H GLY A 7 -13.193 -15.316 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.568 -17.089 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.967 -17.731 -8.938 1.00 0.00 H new ATOM 66 N VAL A 8 -11.391 -16.935 -6.637 1.00 0.00 N ATOM 67 CA VAL A 8 -10.847 -16.426 -5.389 1.00 0.00 C ATOM 68 C VAL A 8 -9.494 -15.764 -5.661 1.00 0.00 C ATOM 69 O VAL A 8 -8.710 -16.257 -6.470 1.00 0.00 O ATOM 70 CB VAL A 8 -10.766 -17.551 -4.356 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.765 -18.624 -4.791 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.413 -17.001 -2.973 1.00 0.00 C ATOM 0 H VAL A 8 -11.260 -17.936 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.503 -15.664 -4.968 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.749 -18.017 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.727 -19.412 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.078 -19.048 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.777 -18.177 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.362 -17.822 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.447 -16.497 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.178 -16.292 -2.657 1.00 0.00 H new ATOM 82 N PRO A 9 -9.256 -14.630 -4.950 1.00 0.00 N ATOM 83 CA PRO A 9 -8.012 -13.896 -5.106 1.00 0.00 C ATOM 84 C PRO A 9 -6.858 -14.617 -4.407 1.00 0.00 C ATOM 85 O PRO A 9 -7.036 -15.715 -3.880 1.00 0.00 O ATOM 86 CB PRO A 9 -8.291 -12.519 -4.525 1.00 0.00 C ATOM 87 CG PRO A 9 -9.523 -12.679 -3.649 1.00 0.00 C ATOM 88 CD PRO A 9 -10.162 -14.018 -3.983 1.00 0.00 C ATOM 0 HA PRO A 9 -7.698 -13.818 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.442 -12.161 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.466 -11.789 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.249 -12.639 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.226 -11.865 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.269 -14.638 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.159 -13.887 -4.403 1.00 0.00 H new ATOM 96 N GLU A 10 -5.701 -13.972 -4.423 1.00 0.00 N ATOM 97 CA GLU A 10 -4.519 -14.538 -3.797 1.00 0.00 C ATOM 98 C GLU A 10 -3.980 -13.589 -2.725 1.00 0.00 C ATOM 99 O GLU A 10 -3.738 -12.413 -2.996 1.00 0.00 O ATOM 100 CB GLU A 10 -3.445 -14.855 -4.839 1.00 0.00 C ATOM 101 CG GLU A 10 -2.090 -15.103 -4.172 1.00 0.00 C ATOM 102 CD GLU A 10 -1.250 -16.088 -4.988 1.00 0.00 C ATOM 103 OE1 GLU A 10 -0.748 -15.661 -6.050 1.00 0.00 O ATOM 104 OE2 GLU A 10 -1.129 -17.245 -4.531 1.00 0.00 O ATOM 0 H GLU A 10 -5.557 -13.062 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.800 -15.475 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.738 -15.734 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.361 -14.028 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.553 -14.160 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.242 -15.495 -3.166 1.00 0.00 H new ATOM 111 N LYS A 11 -3.808 -14.133 -1.529 1.00 0.00 N ATOM 112 CA LYS A 11 -3.302 -13.350 -0.415 1.00 0.00 C ATOM 113 C LYS A 11 -1.781 -13.497 -0.343 1.00 0.00 C ATOM 114 O LYS A 11 -1.235 -14.533 -0.719 1.00 0.00 O ATOM 115 CB LYS A 11 -4.019 -13.735 0.880 1.00 0.00 C ATOM 116 CG LYS A 11 -5.538 -13.664 0.708 1.00 0.00 C ATOM 117 CD LYS A 11 -6.250 -13.826 2.052 1.00 0.00 C ATOM 118 CE LYS A 11 -7.138 -12.616 2.351 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.314 -11.461 2.774 1.00 0.00 N ATOM 0 H LYS A 11 -4.010 -15.108 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.513 -12.291 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.730 -14.744 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.709 -13.067 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.813 -12.709 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.867 -14.445 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.856 -14.732 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.513 -13.946 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.716 -12.353 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.853 -12.867 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.823 -10.578 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.127 -11.524 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.412 -11.469 2.256 1.00 0.00 H new ATOM 133 N PHE A 12 -1.139 -12.444 0.142 1.00 0.00 N ATOM 134 CA PHE A 12 0.308 -12.443 0.268 1.00 0.00 C ATOM 135 C PHE A 12 0.736 -12.004 1.670 1.00 0.00 C ATOM 136 O PHE A 12 0.292 -10.968 2.163 1.00 0.00 O ATOM 137 CB PHE A 12 0.846 -11.439 -0.754 1.00 0.00 C ATOM 138 CG PHE A 12 0.247 -11.596 -2.153 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.815 -12.452 -3.044 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.853 -10.878 -2.506 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.259 -12.597 -4.343 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.409 -11.023 -3.805 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.841 -11.880 -4.696 1.00 0.00 C ATOM 0 H PHE A 12 -1.595 -11.586 0.452 1.00 0.00 H new ATOM 0 HA PHE A 12 0.697 -13.447 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.647 -10.429 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.929 -11.547 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.689 -13.022 -2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.304 -10.198 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.710 -13.277 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.282 -10.453 -4.085 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.264 -11.991 -5.684 1.00 0.00 H new ATOM 153 N LYS A 13 1.594 -12.814 2.273 1.00 0.00 N ATOM 154 CA LYS A 13 2.087 -12.522 3.609 1.00 0.00 C ATOM 155 C LYS A 13 2.768 -11.152 3.608 1.00 0.00 C ATOM 156 O LYS A 13 3.286 -10.713 2.582 1.00 0.00 O ATOM 157 CB LYS A 13 2.985 -13.655 4.108 1.00 0.00 C ATOM 158 CG LYS A 13 2.152 -14.805 4.677 1.00 0.00 C ATOM 159 CD LYS A 13 2.865 -15.466 5.858 1.00 0.00 C ATOM 160 CE LYS A 13 1.861 -15.926 6.917 1.00 0.00 C ATOM 161 NZ LYS A 13 2.369 -17.120 7.629 1.00 0.00 N ATOM 0 H LYS A 13 1.960 -13.672 1.861 1.00 0.00 H new ATOM 0 HA LYS A 13 1.260 -12.467 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.604 -14.020 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.661 -13.277 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.180 -14.431 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.968 -15.545 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.444 -16.320 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.570 -14.763 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.680 -15.121 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.906 -16.156 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.588 -17.578 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.772 -17.789 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.105 -16.834 8.306 1.00 0.00 H new ATOM 175 N LEU A 14 2.745 -10.514 4.769 1.00 0.00 N ATOM 176 CA LEU A 14 3.354 -9.203 4.915 1.00 0.00 C ATOM 177 C LEU A 14 4.741 -9.357 5.544 1.00 0.00 C ATOM 178 O LEU A 14 4.980 -10.290 6.308 1.00 0.00 O ATOM 179 CB LEU A 14 2.427 -8.265 5.692 1.00 0.00 C ATOM 180 CG LEU A 14 1.386 -7.512 4.862 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.031 -7.972 5.211 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.552 -5.999 5.015 1.00 0.00 C ATOM 0 H LEU A 14 2.314 -10.881 5.618 1.00 0.00 H new ATOM 0 HA LEU A 14 3.496 -8.738 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.905 -8.848 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.041 -7.534 6.219 1.00 0.00 H new ATOM 0 HG LEU A 14 1.551 -7.749 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.752 -7.421 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.128 -9.039 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.225 -7.785 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.799 -5.488 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.429 -5.724 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.546 -5.706 4.677 1.00 0.00 H new ATOM 194 N SER A 15 5.618 -8.426 5.198 1.00 0.00 N ATOM 195 CA SER A 15 6.974 -8.446 5.719 1.00 0.00 C ATOM 196 C SER A 15 7.001 -7.861 7.133 1.00 0.00 C ATOM 197 O SER A 15 6.018 -7.277 7.585 1.00 0.00 O ATOM 198 CB SER A 15 7.927 -7.671 4.806 1.00 0.00 C ATOM 199 OG SER A 15 8.721 -8.540 4.002 1.00 0.00 O ATOM 0 H SER A 15 5.416 -7.653 4.563 1.00 0.00 H new ATOM 0 HA SER A 15 7.311 -9.482 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.351 -7.006 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.579 -7.042 5.412 1.00 0.00 H new ATOM 0 HG SER A 15 9.314 -8.007 3.432 1.00 0.00 H new ATOM 205 N THR A 16 8.137 -8.039 7.791 1.00 0.00 N ATOM 206 CA THR A 16 8.305 -7.536 9.144 1.00 0.00 C ATOM 207 C THR A 16 8.125 -6.017 9.174 1.00 0.00 C ATOM 208 O THR A 16 7.523 -5.478 10.102 1.00 0.00 O ATOM 209 CB THR A 16 9.672 -7.996 9.653 1.00 0.00 C ATOM 210 OG1 THR A 16 9.599 -9.419 9.606 1.00 0.00 O ATOM 211 CG2 THR A 16 9.880 -7.683 11.136 1.00 0.00 C ATOM 0 H THR A 16 8.950 -8.525 7.412 1.00 0.00 H new ATOM 0 HA THR A 16 7.542 -7.936 9.812 1.00 0.00 H new ATOM 0 HB THR A 16 10.457 -7.518 9.067 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.446 -9.800 9.918 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.866 -8.030 11.446 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.808 -6.607 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.115 -8.189 11.725 1.00 0.00 H new ATOM 219 N ALA A 17 8.657 -5.370 8.148 1.00 0.00 N ATOM 220 CA ALA A 17 8.562 -3.923 8.046 1.00 0.00 C ATOM 221 C ALA A 17 7.186 -3.544 7.495 1.00 0.00 C ATOM 222 O ALA A 17 6.536 -2.636 8.010 1.00 0.00 O ATOM 223 CB ALA A 17 9.704 -3.397 7.174 1.00 0.00 C ATOM 0 H ALA A 17 9.155 -5.820 7.380 1.00 0.00 H new ATOM 0 HA ALA A 17 8.662 -3.462 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.633 -2.312 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.659 -3.667 7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.634 -3.836 6.179 1.00 0.00 H new ATOM 229 N LEU A 18 6.783 -4.259 6.455 1.00 0.00 N ATOM 230 CA LEU A 18 5.495 -4.009 5.829 1.00 0.00 C ATOM 231 C LEU A 18 4.383 -4.217 6.859 1.00 0.00 C ATOM 232 O LEU A 18 3.316 -3.614 6.756 1.00 0.00 O ATOM 233 CB LEU A 18 5.336 -4.865 4.571 1.00 0.00 C ATOM 234 CG LEU A 18 4.500 -4.253 3.445 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.197 -3.030 2.846 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.164 -5.300 2.381 1.00 0.00 C ATOM 0 H LEU A 18 7.325 -5.011 6.030 1.00 0.00 H new ATOM 0 HA LEU A 18 5.429 -2.974 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.328 -5.088 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.885 -5.815 4.857 1.00 0.00 H new ATOM 0 HG LEU A 18 3.556 -3.909 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.581 -2.615 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.342 -2.278 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.165 -3.325 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.569 -4.839 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.086 -5.696 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.597 -6.112 2.836 1.00 0.00 H new ATOM 248 N MET A 19 4.671 -5.072 7.829 1.00 0.00 N ATOM 249 CA MET A 19 3.709 -5.367 8.877 1.00 0.00 C ATOM 250 C MET A 19 3.664 -4.242 9.913 1.00 0.00 C ATOM 251 O MET A 19 2.671 -4.085 10.622 1.00 0.00 O ATOM 252 CB MET A 19 4.088 -6.680 9.564 1.00 0.00 C ATOM 253 CG MET A 19 3.433 -7.874 8.866 1.00 0.00 C ATOM 254 SD MET A 19 3.310 -9.250 9.996 1.00 0.00 S ATOM 255 CE MET A 19 4.912 -9.998 9.749 1.00 0.00 C ATOM 0 H MET A 19 5.557 -5.570 7.911 1.00 0.00 H new ATOM 0 HA MET A 19 2.722 -5.457 8.423 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.171 -6.799 9.556 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.778 -6.650 10.609 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.441 -7.597 8.508 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.019 -8.161 7.993 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.230 -10.490 10.668 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.850 -10.733 8.947 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.636 -9.228 9.481 1.00 0.00 H new ATOM 265 N ASP A 20 4.753 -3.489 9.969 1.00 0.00 N ATOM 266 CA ASP A 20 4.851 -2.383 10.907 1.00 0.00 C ATOM 267 C ASP A 20 4.360 -1.102 10.231 1.00 0.00 C ATOM 268 O ASP A 20 4.186 -0.077 10.888 1.00 0.00 O ATOM 269 CB ASP A 20 6.300 -2.161 11.346 1.00 0.00 C ATOM 270 CG ASP A 20 6.491 -1.916 12.844 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.809 -1.004 13.361 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.314 -2.645 13.438 1.00 0.00 O ATOM 0 H ASP A 20 5.575 -3.623 9.380 1.00 0.00 H new ATOM 0 HA ASP A 20 4.243 -2.624 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.889 -3.032 11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.703 -1.308 10.799 1.00 0.00 H new ATOM 277 N VAL A 21 4.150 -1.202 8.926 1.00 0.00 N ATOM 278 CA VAL A 21 3.682 -0.063 8.154 1.00 0.00 C ATOM 279 C VAL A 21 2.155 0.002 8.223 1.00 0.00 C ATOM 280 O VAL A 21 1.570 1.077 8.108 1.00 0.00 O ATOM 281 CB VAL A 21 4.213 -0.148 6.722 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.529 0.882 5.821 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.734 0.018 6.689 1.00 0.00 C ATOM 0 H VAL A 21 4.295 -2.054 8.384 1.00 0.00 H new ATOM 0 HA VAL A 21 4.066 0.867 8.574 1.00 0.00 H new ATOM 0 HB VAL A 21 3.977 -1.140 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.925 0.800 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.455 0.697 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.719 1.884 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.085 -0.047 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.003 0.989 7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.199 -0.770 7.281 1.00 0.00 H new ATOM 293 N LEU A 22 1.553 -1.164 8.411 1.00 0.00 N ATOM 294 CA LEU A 22 0.106 -1.253 8.497 1.00 0.00 C ATOM 295 C LEU A 22 -0.282 -1.926 9.815 1.00 0.00 C ATOM 296 O LEU A 22 -0.895 -1.300 10.679 1.00 0.00 O ATOM 297 CB LEU A 22 -0.462 -1.951 7.260 1.00 0.00 C ATOM 298 CG LEU A 22 0.219 -1.619 5.931 1.00 0.00 C ATOM 299 CD1 LEU A 22 -0.161 -2.635 4.851 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.089 -0.184 5.500 1.00 0.00 C ATOM 0 H LEU A 22 2.042 -2.054 8.506 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.337 -0.257 8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.404 -3.028 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.519 -1.697 7.177 1.00 0.00 H new ATOM 0 HG LEU A 22 1.297 -1.688 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.337 -2.376 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.150 -3.632 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.241 -2.622 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.407 0.026 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.166 -0.063 5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.272 0.509 6.260 1.00 0.00 H new ATOM 312 N GLY A 23 0.091 -3.192 9.929 1.00 0.00 N ATOM 313 CA GLY A 23 -0.210 -3.956 11.127 1.00 0.00 C ATOM 314 C GLY A 23 -1.052 -5.189 10.794 1.00 0.00 C ATOM 315 O GLY A 23 -1.941 -5.564 11.558 1.00 0.00 O ATOM 0 H GLY A 23 0.599 -3.708 9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.718 -4.264 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.745 -3.327 11.839 1.00 0.00 H new ATOM 319 N ILE A 24 -0.743 -5.786 9.652 1.00 0.00 N ATOM 320 CA ILE A 24 -1.460 -6.970 9.208 1.00 0.00 C ATOM 321 C ILE A 24 -0.515 -8.172 9.232 1.00 0.00 C ATOM 322 O ILE A 24 0.588 -8.089 9.770 1.00 0.00 O ATOM 323 CB ILE A 24 -2.108 -6.723 7.844 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.382 -5.610 7.085 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.604 -6.436 7.991 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.939 -5.459 5.669 1.00 0.00 C ATOM 0 H ILE A 24 -0.006 -5.472 9.021 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.281 -7.197 9.889 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.012 -7.632 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.488 -4.668 7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.316 -5.832 7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.040 -6.264 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.094 -7.289 8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.745 -5.550 8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.406 -4.662 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.809 -6.395 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.000 -5.213 5.720 1.00 0.00 H new ATOM 338 N GLU A 25 -0.982 -9.263 8.642 1.00 0.00 N ATOM 339 CA GLU A 25 -0.192 -10.481 8.589 1.00 0.00 C ATOM 340 C GLU A 25 -0.409 -11.196 7.253 1.00 0.00 C ATOM 341 O GLU A 25 0.547 -11.654 6.628 1.00 0.00 O ATOM 342 CB GLU A 25 -0.525 -11.403 9.764 1.00 0.00 C ATOM 343 CG GLU A 25 0.632 -12.360 10.055 1.00 0.00 C ATOM 344 CD GLU A 25 0.563 -12.883 11.491 1.00 0.00 C ATOM 345 OE1 GLU A 25 -0.430 -13.579 11.794 1.00 0.00 O ATOM 346 OE2 GLU A 25 1.505 -12.575 12.253 1.00 0.00 O ATOM 0 H GLU A 25 -1.897 -9.328 8.197 1.00 0.00 H new ATOM 0 HA GLU A 25 0.861 -10.211 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.739 -10.806 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.426 -11.974 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.601 -13.197 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.581 -11.848 9.896 1.00 0.00 H new ATOM 353 N VAL A 26 -1.670 -11.270 6.856 1.00 0.00 N ATOM 354 CA VAL A 26 -2.024 -11.921 5.606 1.00 0.00 C ATOM 355 C VAL A 26 -3.122 -11.115 4.909 1.00 0.00 C ATOM 356 O VAL A 26 -4.283 -11.163 5.312 1.00 0.00 O ATOM 357 CB VAL A 26 -2.425 -13.374 5.869 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.512 -14.164 4.561 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.458 -14.041 6.849 1.00 0.00 C ATOM 0 H VAL A 26 -2.460 -10.890 7.378 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.166 -11.950 4.934 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.415 -13.371 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.799 -15.193 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.258 -13.708 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.542 -14.154 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.766 -15.073 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.451 -14.027 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.468 -13.499 7.795 1.00 0.00 H new ATOM 369 N GLU A 27 -2.716 -10.394 3.874 1.00 0.00 N ATOM 370 CA GLU A 27 -3.650 -9.579 3.117 1.00 0.00 C ATOM 371 C GLU A 27 -3.571 -9.924 1.629 1.00 0.00 C ATOM 372 O GLU A 27 -3.076 -10.988 1.260 1.00 0.00 O ATOM 373 CB GLU A 27 -3.391 -8.089 3.349 1.00 0.00 C ATOM 374 CG GLU A 27 -4.672 -7.368 3.771 1.00 0.00 C ATOM 375 CD GLU A 27 -5.326 -8.067 4.965 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.562 -8.576 5.813 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.576 -8.076 5.002 1.00 0.00 O ATOM 0 H GLU A 27 -1.752 -10.358 3.542 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.659 -9.798 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.629 -7.964 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.000 -7.638 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.443 -6.334 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.370 -7.340 2.934 1.00 0.00 H new ATOM 384 N THR A 28 -4.068 -9.006 0.813 1.00 0.00 N ATOM 385 CA THR A 28 -4.060 -9.200 -0.627 1.00 0.00 C ATOM 386 C THR A 28 -3.104 -8.209 -1.293 1.00 0.00 C ATOM 387 O THR A 28 -2.244 -7.629 -0.631 1.00 0.00 O ATOM 388 CB THR A 28 -5.501 -9.085 -1.127 1.00 0.00 C ATOM 389 OG1 THR A 28 -5.944 -7.827 -0.625 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.434 -10.100 -0.465 1.00 0.00 C ATOM 0 H THR A 28 -4.479 -8.125 1.122 1.00 0.00 H new ATOM 0 HA THR A 28 -3.687 -10.190 -0.891 1.00 0.00 H new ATOM 0 HB THR A 28 -5.522 -9.225 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.666 -7.484 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.444 -9.975 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.084 -11.110 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.440 -9.940 0.613 1.00 0.00 H new ATOM 398 N ARG A 29 -3.286 -8.044 -2.595 1.00 0.00 N ATOM 399 CA ARG A 29 -2.451 -7.133 -3.358 1.00 0.00 C ATOM 400 C ARG A 29 -2.949 -5.695 -3.197 1.00 0.00 C ATOM 401 O ARG A 29 -2.154 -4.779 -2.990 1.00 0.00 O ATOM 402 CB ARG A 29 -2.448 -7.501 -4.843 1.00 0.00 C ATOM 403 CG ARG A 29 -1.082 -7.223 -5.475 1.00 0.00 C ATOM 404 CD ARG A 29 -1.191 -7.131 -6.998 1.00 0.00 C ATOM 405 NE ARG A 29 -1.567 -5.756 -7.396 1.00 0.00 N ATOM 406 CZ ARG A 29 -1.546 -5.307 -8.659 1.00 0.00 C ATOM 407 NH1 ARG A 29 -1.168 -6.122 -9.653 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.904 -4.044 -8.927 1.00 0.00 N ATOM 0 H ARG A 29 -4.000 -8.526 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.434 -7.214 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.699 -8.555 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.217 -6.930 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.677 -6.292 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.384 -8.015 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.240 -7.404 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.935 -7.840 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.860 -5.110 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.896 -7.084 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.152 -5.781 -10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.192 -3.424 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.888 -3.702 -9.888 1.00 0.00 H new ATOM 422 N PRO A 30 -4.295 -5.538 -3.301 1.00 0.00 N ATOM 423 CA PRO A 30 -4.908 -4.227 -3.170 1.00 0.00 C ATOM 424 C PRO A 30 -4.935 -3.779 -1.707 1.00 0.00 C ATOM 425 O PRO A 30 -4.393 -2.728 -1.366 1.00 0.00 O ATOM 426 CB PRO A 30 -6.297 -4.380 -3.769 1.00 0.00 C ATOM 427 CG PRO A 30 -6.580 -5.874 -3.790 1.00 0.00 C ATOM 428 CD PRO A 30 -5.267 -6.600 -3.547 1.00 0.00 C ATOM 0 HA PRO A 30 -4.349 -3.448 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.040 -3.850 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.337 -3.961 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.309 -6.135 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.007 -6.168 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.340 -7.275 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.983 -7.204 -4.409 1.00 0.00 H new ATOM 436 N ARG A 31 -5.570 -4.598 -0.881 1.00 0.00 N ATOM 437 CA ARG A 31 -5.673 -4.298 0.537 1.00 0.00 C ATOM 438 C ARG A 31 -4.386 -3.638 1.035 1.00 0.00 C ATOM 439 O ARG A 31 -4.434 -2.629 1.737 1.00 0.00 O ATOM 440 CB ARG A 31 -5.935 -5.568 1.350 1.00 0.00 C ATOM 441 CG ARG A 31 -7.387 -6.027 1.197 1.00 0.00 C ATOM 442 CD ARG A 31 -7.740 -7.087 2.243 1.00 0.00 C ATOM 443 NE ARG A 31 -9.151 -7.503 2.086 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.188 -6.872 2.655 1.00 0.00 C ATOM 445 NH1 ARG A 31 -9.977 -5.794 3.421 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.435 -7.320 2.457 1.00 0.00 N ATOM 0 H ARG A 31 -6.018 -5.469 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.511 -3.614 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.263 -6.360 1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.717 -5.382 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.055 -5.172 1.300 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.541 -6.432 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.084 -7.950 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.579 -6.689 3.245 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.347 -8.321 1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.027 -5.453 3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.766 -5.314 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.595 -8.141 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.224 -6.840 2.890 1.00 0.00 H new ATOM 460 N ILE A 32 -3.267 -4.235 0.654 1.00 0.00 N ATOM 461 CA ILE A 32 -1.969 -3.717 1.053 1.00 0.00 C ATOM 462 C ILE A 32 -1.733 -2.366 0.375 1.00 0.00 C ATOM 463 O ILE A 32 -1.621 -1.342 1.046 1.00 0.00 O ATOM 464 CB ILE A 32 -0.872 -4.746 0.773 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.216 -6.099 1.401 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.493 -4.231 1.233 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.242 -7.183 0.935 1.00 0.00 C ATOM 0 H ILE A 32 -3.232 -5.073 0.073 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.943 -3.543 2.129 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.812 -4.897 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.183 -6.018 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.234 -6.380 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.255 -4.982 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.733 -3.311 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.465 -4.033 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.509 -8.134 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.295 -7.278 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.772 -6.910 1.226 1.00 0.00 H new ATOM 479 N ILE A 33 -1.664 -2.408 -0.948 1.00 0.00 N ATOM 480 CA ILE A 33 -1.443 -1.200 -1.724 1.00 0.00 C ATOM 481 C ILE A 33 -2.256 -0.054 -1.118 1.00 0.00 C ATOM 482 O ILE A 33 -1.750 1.057 -0.964 1.00 0.00 O ATOM 483 CB ILE A 33 -1.743 -1.452 -3.203 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.726 -2.420 -3.812 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.817 -0.135 -3.979 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.212 -2.947 -5.163 1.00 0.00 C ATOM 0 H ILE A 33 -1.757 -3.260 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.395 -0.905 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.722 -1.925 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.232 -1.915 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.560 -3.254 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.031 -0.342 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.609 0.488 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.864 0.388 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.471 -3.633 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.158 -3.472 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.354 -2.112 -5.849 1.00 0.00 H new ATOM 498 N ALA A 34 -3.502 -0.363 -0.791 1.00 0.00 N ATOM 499 CA ALA A 34 -4.389 0.628 -0.206 1.00 0.00 C ATOM 500 C ALA A 34 -3.918 0.953 1.213 1.00 0.00 C ATOM 501 O ALA A 34 -3.770 2.121 1.569 1.00 0.00 O ATOM 502 CB ALA A 34 -5.828 0.107 -0.238 1.00 0.00 C ATOM 0 H ALA A 34 -3.918 -1.285 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.364 1.553 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.494 0.850 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.124 -0.081 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.892 -0.820 0.332 1.00 0.00 H new ATOM 508 N ALA A 35 -3.695 -0.100 1.984 1.00 0.00 N ATOM 509 CA ALA A 35 -3.244 0.059 3.356 1.00 0.00 C ATOM 510 C ALA A 35 -2.121 1.097 3.402 1.00 0.00 C ATOM 511 O ALA A 35 -1.926 1.762 4.418 1.00 0.00 O ATOM 512 CB ALA A 35 -2.806 -1.299 3.910 1.00 0.00 C ATOM 0 H ALA A 35 -3.818 -1.067 1.685 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.055 0.423 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.468 -1.180 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.647 -1.992 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.991 -1.694 3.303 1.00 0.00 H new ATOM 518 N ILE A 36 -1.412 1.204 2.288 1.00 0.00 N ATOM 519 CA ILE A 36 -0.313 2.150 2.188 1.00 0.00 C ATOM 520 C ILE A 36 -0.855 3.508 1.736 1.00 0.00 C ATOM 521 O ILE A 36 -0.415 4.549 2.222 1.00 0.00 O ATOM 522 CB ILE A 36 0.790 1.597 1.284 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.449 0.367 1.913 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.813 2.682 0.940 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.445 -0.276 0.946 1.00 0.00 C ATOM 0 H ILE A 36 -1.577 0.651 1.447 1.00 0.00 H new ATOM 0 HA ILE A 36 0.151 2.299 3.163 1.00 0.00 H new ATOM 0 HB ILE A 36 0.335 1.275 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.962 0.654 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.684 -0.359 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.586 2.262 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.314 3.501 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.268 3.057 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.899 -1.148 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.925 -0.584 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.222 0.445 0.691 1.00 0.00 H new ATOM 537 N TRP A 37 -1.802 3.453 0.812 1.00 0.00 N ATOM 538 CA TRP A 37 -2.409 4.666 0.289 1.00 0.00 C ATOM 539 C TRP A 37 -3.040 5.422 1.460 1.00 0.00 C ATOM 540 O TRP A 37 -2.775 6.607 1.653 1.00 0.00 O ATOM 541 CB TRP A 37 -3.409 4.344 -0.823 1.00 0.00 C ATOM 542 CG TRP A 37 -2.766 3.792 -2.097 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.551 3.244 -2.238 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.358 3.758 -3.413 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.318 2.860 -3.543 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.452 3.183 -4.280 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.618 4.198 -3.856 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.708 2.995 -5.644 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.859 4.003 -5.221 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.957 3.426 -6.107 1.00 0.00 C ATOM 0 H TRP A 37 -2.164 2.588 0.412 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.657 5.305 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.131 3.618 -0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.965 5.248 -1.071 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.843 3.119 -1.432 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.470 2.420 -3.901 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.343 4.651 -3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.982 2.542 -6.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.813 4.323 -5.613 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.218 3.311 -7.148 1.00 0.00 H new ATOM 561 N HIS A 38 -3.862 4.704 2.211 1.00 0.00 N ATOM 562 CA HIS A 38 -4.533 5.292 3.358 1.00 0.00 C ATOM 563 C HIS A 38 -3.492 5.793 4.361 1.00 0.00 C ATOM 564 O HIS A 38 -3.390 6.994 4.608 1.00 0.00 O ATOM 565 CB HIS A 38 -5.522 4.302 3.976 1.00 0.00 C ATOM 566 CG HIS A 38 -5.846 4.579 5.424 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.186 3.581 6.321 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.876 5.751 6.122 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.410 4.138 7.502 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.218 5.483 7.377 1.00 0.00 N ATOM 0 H HIS A 38 -4.079 3.721 2.048 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.121 6.152 3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.446 4.319 3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.112 3.295 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.659 6.730 5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.695 3.619 8.405 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.320 6.170 8.124 1.00 0.00 H new ATOM 578 N TYR A 39 -2.745 4.847 4.912 1.00 0.00 N ATOM 579 CA TYR A 39 -1.715 5.177 5.882 1.00 0.00 C ATOM 580 C TYR A 39 -0.995 6.471 5.498 1.00 0.00 C ATOM 581 O TYR A 39 -0.959 7.421 6.279 1.00 0.00 O ATOM 582 CB TYR A 39 -0.714 4.020 5.845 1.00 0.00 C ATOM 583 CG TYR A 39 0.455 4.177 6.819 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.213 4.305 8.172 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.751 4.191 6.346 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.313 4.453 9.089 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.851 4.338 7.263 1.00 0.00 C ATOM 588 CZ TYR A 39 2.578 4.462 8.589 1.00 0.00 C ATOM 589 OH TYR A 39 3.617 4.601 9.456 1.00 0.00 O ATOM 0 H TYR A 39 -2.833 3.852 4.705 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.151 5.321 6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.239 3.092 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.320 3.926 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.801 4.294 8.543 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.940 4.092 5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.138 4.555 10.150 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.870 4.350 6.906 1.00 0.00 H new ATOM 0 HH TYR A 39 3.910 5.536 9.468 1.00 0.00 H new ATOM 599 N VAL A 40 -0.438 6.467 4.296 1.00 0.00 N ATOM 600 CA VAL A 40 0.279 7.629 3.799 1.00 0.00 C ATOM 601 C VAL A 40 -0.490 8.897 4.175 1.00 0.00 C ATOM 602 O VAL A 40 -0.029 9.687 4.998 1.00 0.00 O ATOM 603 CB VAL A 40 0.513 7.496 2.293 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.841 8.852 1.667 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.612 6.474 1.997 1.00 0.00 C ATOM 0 H VAL A 40 -0.469 5.677 3.651 1.00 0.00 H new ATOM 0 HA VAL A 40 1.263 7.697 4.262 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.411 7.134 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.003 8.729 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.011 9.539 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.743 9.256 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.758 6.399 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.542 6.793 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.320 5.501 2.392 1.00 0.00 H new ATOM 615 N LYS A 41 -1.650 9.053 3.554 1.00 0.00 N ATOM 616 CA LYS A 41 -2.488 10.212 3.813 1.00 0.00 C ATOM 617 C LYS A 41 -2.775 10.303 5.313 1.00 0.00 C ATOM 618 O LYS A 41 -2.841 11.397 5.871 1.00 0.00 O ATOM 619 CB LYS A 41 -3.748 10.166 2.947 1.00 0.00 C ATOM 620 CG LYS A 41 -3.408 10.383 1.471 1.00 0.00 C ATOM 621 CD LYS A 41 -4.542 9.893 0.569 1.00 0.00 C ATOM 622 CE LYS A 41 -5.706 10.886 0.563 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.603 10.627 -0.585 1.00 0.00 N ATOM 0 H LYS A 41 -2.029 8.396 2.872 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.969 11.128 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.244 9.204 3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.449 10.932 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.225 11.442 1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.488 9.853 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.170 9.757 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.891 8.920 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.266 10.805 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.322 11.905 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.387 11.310 -0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.069 10.727 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.984 9.662 -0.517 1.00 0.00 H new ATOM 637 N ALA A 42 -2.940 9.138 5.923 1.00 0.00 N ATOM 638 CA ALA A 42 -3.219 9.073 7.348 1.00 0.00 C ATOM 639 C ALA A 42 -2.070 9.726 8.119 1.00 0.00 C ATOM 640 O ALA A 42 -2.286 10.331 9.168 1.00 0.00 O ATOM 641 CB ALA A 42 -3.442 7.616 7.758 1.00 0.00 C ATOM 0 H ALA A 42 -2.886 8.232 5.457 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.130 9.622 7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.651 7.567 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.287 7.207 7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.547 7.035 7.536 1.00 0.00 H new ATOM 647 N ARG A 43 -0.873 9.582 7.569 1.00 0.00 N ATOM 648 CA ARG A 43 0.310 10.151 8.192 1.00 0.00 C ATOM 649 C ARG A 43 0.752 11.409 7.442 1.00 0.00 C ATOM 650 O ARG A 43 1.883 11.866 7.601 1.00 0.00 O ATOM 651 CB ARG A 43 1.462 9.144 8.208 1.00 0.00 C ATOM 652 CG ARG A 43 1.042 7.841 8.891 1.00 0.00 C ATOM 653 CD ARG A 43 1.209 7.939 10.409 1.00 0.00 C ATOM 654 NE ARG A 43 0.247 8.919 10.961 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.068 8.695 11.080 1.00 0.00 C ATOM 656 NH1 ARG A 43 -1.587 7.524 10.686 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.866 9.643 11.593 1.00 0.00 N ATOM 0 H ARG A 43 -0.697 9.080 6.699 1.00 0.00 H new ATOM 0 HA ARG A 43 0.053 10.408 9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.783 8.937 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.317 9.573 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.003 7.618 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.642 7.016 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.048 6.962 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.228 8.240 10.653 1.00 0.00 H new ATOM 0 HE ARG A 43 0.608 9.821 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.980 6.803 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.589 7.354 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.471 10.535 11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.868 9.472 11.684 1.00 0.00 H new ATOM 671 N LYS A 44 -0.164 11.934 6.640 1.00 0.00 N ATOM 672 CA LYS A 44 0.117 13.130 5.866 1.00 0.00 C ATOM 673 C LYS A 44 1.469 12.973 5.165 1.00 0.00 C ATOM 674 O LYS A 44 2.260 13.914 5.118 1.00 0.00 O ATOM 675 CB LYS A 44 0.024 14.375 6.750 1.00 0.00 C ATOM 676 CG LYS A 44 -1.433 14.705 7.081 1.00 0.00 C ATOM 677 CD LYS A 44 -1.520 15.827 8.117 1.00 0.00 C ATOM 678 CE LYS A 44 -1.591 17.196 7.437 1.00 0.00 C ATOM 679 NZ LYS A 44 -2.989 17.678 7.387 1.00 0.00 N ATOM 0 H LYS A 44 -1.101 11.552 6.510 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.633 13.264 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.582 14.213 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.486 15.221 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.957 15.002 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.934 13.815 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.400 15.682 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.652 15.788 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.973 17.911 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.187 17.128 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.019 18.608 6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.570 17.003 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.362 17.762 8.354 1.00 0.00 H new ATOM 693 N LEU A 45 1.691 11.778 4.639 1.00 0.00 N ATOM 694 CA LEU A 45 2.933 11.486 3.943 1.00 0.00 C ATOM 695 C LEU A 45 2.813 11.934 2.485 1.00 0.00 C ATOM 696 O LEU A 45 3.812 12.268 1.850 1.00 0.00 O ATOM 697 CB LEU A 45 3.303 10.011 4.105 1.00 0.00 C ATOM 698 CG LEU A 45 3.889 9.611 5.461 1.00 0.00 C ATOM 699 CD1 LEU A 45 3.865 8.092 5.642 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.295 10.188 5.642 1.00 0.00 C ATOM 0 H LEU A 45 1.032 11.000 4.681 1.00 0.00 H new ATOM 0 HA LEU A 45 3.757 12.048 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.411 9.411 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.023 9.750 3.329 1.00 0.00 H new ATOM 0 HG LEU A 45 3.262 10.038 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.287 7.835 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.837 7.735 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.454 7.622 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.689 9.889 6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.947 9.811 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.252 11.276 5.587 1.00 0.00 H new ATOM 712 N GLN A 46 1.581 11.925 1.996 1.00 0.00 N ATOM 713 CA GLN A 46 1.318 12.325 0.624 1.00 0.00 C ATOM 714 C GLN A 46 2.198 13.517 0.241 1.00 0.00 C ATOM 715 O GLN A 46 2.464 14.388 1.068 1.00 0.00 O ATOM 716 CB GLN A 46 -0.164 12.650 0.423 1.00 0.00 C ATOM 717 CG GLN A 46 -0.498 12.787 -1.064 1.00 0.00 C ATOM 718 CD GLN A 46 -1.902 13.364 -1.260 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.574 13.760 -0.322 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.304 13.389 -2.527 1.00 0.00 N ATOM 0 H GLN A 46 0.755 11.647 2.525 1.00 0.00 H new ATOM 0 HA GLN A 46 1.566 11.490 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.776 11.864 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.411 13.576 0.942 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.235 13.433 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.431 11.812 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.690 13.041 -3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.226 13.756 -2.762 1.00 0.00 H new ATOM 729 N ASN A 47 2.625 13.517 -1.013 1.00 0.00 N ATOM 730 CA ASN A 47 3.469 14.588 -1.516 1.00 0.00 C ATOM 731 C ASN A 47 2.635 15.516 -2.402 1.00 0.00 C ATOM 732 O ASN A 47 1.915 15.054 -3.286 1.00 0.00 O ATOM 733 CB ASN A 47 4.617 14.033 -2.361 1.00 0.00 C ATOM 734 CG ASN A 47 5.905 14.824 -2.124 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.095 15.458 -1.099 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.776 14.752 -3.126 1.00 0.00 N ATOM 0 H ASN A 47 2.403 12.793 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 47 3.878 15.125 -0.660 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.780 12.984 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.349 14.075 -3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.666 15.246 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.554 14.203 -3.956 1.00 0.00 H new ATOM 743 N PRO A 48 2.764 16.841 -2.127 1.00 0.00 N ATOM 744 CA PRO A 48 2.031 17.838 -2.889 1.00 0.00 C ATOM 745 C PRO A 48 2.647 18.030 -4.277 1.00 0.00 C ATOM 746 O PRO A 48 1.955 17.924 -5.288 1.00 0.00 O ATOM 747 CB PRO A 48 2.079 19.097 -2.039 1.00 0.00 C ATOM 748 CG PRO A 48 3.224 18.895 -1.059 1.00 0.00 C ATOM 749 CD PRO A 48 3.608 17.424 -1.089 1.00 0.00 C ATOM 0 HA PRO A 48 1.000 17.544 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.245 19.979 -2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.137 19.249 -1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.076 19.518 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.923 19.191 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.665 17.296 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.433 16.949 -0.124 1.00 0.00 H new ATOM 757 N ASN A 49 3.943 18.309 -4.280 1.00 0.00 N ATOM 758 CA ASN A 49 4.660 18.517 -5.527 1.00 0.00 C ATOM 759 C ASN A 49 4.205 17.475 -6.551 1.00 0.00 C ATOM 760 O ASN A 49 4.153 17.758 -7.748 1.00 0.00 O ATOM 761 CB ASN A 49 6.168 18.357 -5.328 1.00 0.00 C ATOM 762 CG ASN A 49 6.725 19.470 -4.439 1.00 0.00 C ATOM 763 OD1 ASN A 49 7.040 19.274 -3.276 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.829 20.648 -5.048 1.00 0.00 N ATOM 0 H ASN A 49 4.514 18.396 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 49 4.447 19.528 -5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.378 17.387 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.670 18.374 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.190 21.455 -4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.548 20.744 -6.024 1.00 0.00 H new ATOM 771 N ASP A 50 3.887 16.293 -6.045 1.00 0.00 N ATOM 772 CA ASP A 50 3.439 15.208 -6.901 1.00 0.00 C ATOM 773 C ASP A 50 2.542 14.266 -6.096 1.00 0.00 C ATOM 774 O ASP A 50 2.987 13.660 -5.123 1.00 0.00 O ATOM 775 CB ASP A 50 4.624 14.396 -7.428 1.00 0.00 C ATOM 776 CG ASP A 50 5.794 15.229 -7.957 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.714 15.635 -9.136 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.742 15.440 -7.170 1.00 0.00 O ATOM 0 H ASP A 50 3.931 16.063 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 50 2.898 15.643 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.989 13.752 -6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.272 13.743 -8.227 1.00 0.00 H new ATOM 783 N PRO A 51 1.260 14.171 -6.543 1.00 0.00 N ATOM 784 CA PRO A 51 0.297 13.314 -5.875 1.00 0.00 C ATOM 785 C PRO A 51 0.556 11.841 -6.199 1.00 0.00 C ATOM 786 O PRO A 51 0.004 10.953 -5.551 1.00 0.00 O ATOM 787 CB PRO A 51 -1.061 13.798 -6.356 1.00 0.00 C ATOM 788 CG PRO A 51 -0.794 14.594 -7.623 1.00 0.00 C ATOM 789 CD PRO A 51 0.698 14.875 -7.691 1.00 0.00 C ATOM 0 HA PRO A 51 0.364 13.373 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.727 12.958 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.545 14.417 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.117 14.034 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.358 15.527 -7.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.127 14.514 -8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.902 15.944 -7.639 1.00 0.00 H new ATOM 797 N SER A 52 1.395 11.628 -7.202 1.00 0.00 N ATOM 798 CA SER A 52 1.734 10.278 -7.620 1.00 0.00 C ATOM 799 C SER A 52 2.810 9.700 -6.699 1.00 0.00 C ATOM 800 O SER A 52 3.058 8.495 -6.709 1.00 0.00 O ATOM 801 CB SER A 52 2.210 10.255 -9.073 1.00 0.00 C ATOM 802 OG SER A 52 1.779 9.082 -9.758 1.00 0.00 O ATOM 0 H SER A 52 1.850 12.367 -7.737 1.00 0.00 H new ATOM 0 HA SER A 52 0.837 9.663 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.833 11.137 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.298 10.311 -9.099 1.00 0.00 H new ATOM 0 HG SER A 52 2.102 9.106 -10.683 1.00 0.00 H new ATOM 808 N PHE A 53 3.421 10.585 -5.926 1.00 0.00 N ATOM 809 CA PHE A 53 4.465 10.178 -5.001 1.00 0.00 C ATOM 810 C PHE A 53 4.051 10.449 -3.553 1.00 0.00 C ATOM 811 O PHE A 53 2.985 11.010 -3.303 1.00 0.00 O ATOM 812 CB PHE A 53 5.704 11.013 -5.330 1.00 0.00 C ATOM 813 CG PHE A 53 6.760 10.265 -6.146 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.590 9.378 -5.535 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.868 10.486 -7.484 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.570 8.684 -6.292 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.848 9.792 -8.242 1.00 0.00 C ATOM 818 CZ PHE A 53 8.678 8.905 -7.630 1.00 0.00 C ATOM 0 H PHE A 53 3.213 11.584 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 53 4.656 9.110 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.395 11.901 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.155 11.357 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.504 9.201 -4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.208 11.190 -7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.230 7.981 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.934 9.968 -9.304 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.423 8.376 -8.206 1.00 0.00 H new ATOM 828 N PHE A 54 4.916 10.038 -2.638 1.00 0.00 N ATOM 829 CA PHE A 54 4.654 10.230 -1.221 1.00 0.00 C ATOM 830 C PHE A 54 5.939 10.089 -0.402 1.00 0.00 C ATOM 831 O PHE A 54 6.809 9.287 -0.739 1.00 0.00 O ATOM 832 CB PHE A 54 3.670 9.138 -0.797 1.00 0.00 C ATOM 833 CG PHE A 54 4.134 7.719 -1.130 1.00 0.00 C ATOM 834 CD1 PHE A 54 5.097 7.123 -0.377 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.583 7.052 -2.180 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.527 5.806 -0.687 1.00 0.00 C ATOM 837 CE2 PHE A 54 4.013 5.735 -2.490 1.00 0.00 C ATOM 838 CZ PHE A 54 4.976 5.140 -1.737 1.00 0.00 C ATOM 0 H PHE A 54 5.799 9.573 -2.850 1.00 0.00 H new ATOM 0 HA PHE A 54 4.253 11.229 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.502 9.212 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.711 9.319 -1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.535 7.652 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.818 7.525 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.292 5.333 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.575 5.206 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.304 4.138 -1.973 1.00 0.00 H new ATOM 848 N ASN A 55 6.017 10.880 0.658 1.00 0.00 N ATOM 849 CA ASN A 55 7.181 10.853 1.528 1.00 0.00 C ATOM 850 C ASN A 55 7.104 9.625 2.437 1.00 0.00 C ATOM 851 O ASN A 55 6.019 9.102 2.690 1.00 0.00 O ATOM 852 CB ASN A 55 7.232 12.097 2.417 1.00 0.00 C ATOM 853 CG ASN A 55 7.832 13.285 1.662 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.933 13.735 1.935 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.049 13.767 0.702 1.00 0.00 N ATOM 0 H ASN A 55 5.293 11.544 0.934 1.00 0.00 H new ATOM 0 HA ASN A 55 8.071 10.821 0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.227 12.347 2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.827 11.889 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.359 14.561 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.138 13.343 0.526 1.00 0.00 H new ATOM 862 N CYS A 56 8.269 9.200 2.903 1.00 0.00 N ATOM 863 CA CYS A 56 8.347 8.043 3.779 1.00 0.00 C ATOM 864 C CYS A 56 8.228 8.527 5.226 1.00 0.00 C ATOM 865 O CYS A 56 8.470 9.698 5.515 1.00 0.00 O ATOM 866 CB CYS A 56 9.632 7.245 3.548 1.00 0.00 C ATOM 867 SG CYS A 56 11.056 8.122 4.291 1.00 0.00 S ATOM 0 H CYS A 56 9.166 9.636 2.691 1.00 0.00 H new ATOM 0 HA CYS A 56 7.527 7.359 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.537 6.252 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.797 7.107 2.479 1.00 0.00 H new ATOM 0 HG CYS A 56 11.477 7.463 5.330 1.00 0.00 H new ATOM 873 N ASP A 57 7.855 7.601 6.097 1.00 0.00 N ATOM 874 CA ASP A 57 7.701 7.918 7.506 1.00 0.00 C ATOM 875 C ASP A 57 8.900 7.369 8.282 1.00 0.00 C ATOM 876 O ASP A 57 9.505 8.082 9.082 1.00 0.00 O ATOM 877 CB ASP A 57 6.434 7.279 8.079 1.00 0.00 C ATOM 878 CG ASP A 57 5.396 8.268 8.614 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.438 9.433 8.164 1.00 0.00 O ATOM 880 OD2 ASP A 57 4.584 7.836 9.460 1.00 0.00 O ATOM 0 H ASP A 57 7.655 6.631 5.854 1.00 0.00 H new ATOM 0 HA ASP A 57 7.634 9.002 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.969 6.671 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.719 6.603 8.885 1.00 0.00 H new ATOM 885 N ALA A 58 9.207 6.108 8.020 1.00 0.00 N ATOM 886 CA ALA A 58 10.323 5.455 8.683 1.00 0.00 C ATOM 887 C ALA A 58 10.182 3.939 8.537 1.00 0.00 C ATOM 888 O ALA A 58 11.178 3.218 8.519 1.00 0.00 O ATOM 889 CB ALA A 58 10.376 5.897 10.147 1.00 0.00 C ATOM 0 H ALA A 58 8.702 5.520 7.357 1.00 0.00 H new ATOM 0 HA ALA A 58 11.267 5.744 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.213 5.407 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.507 6.978 10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.446 5.621 10.644 1.00 0.00 H new ATOM 895 N ALA A 59 8.936 3.500 8.436 1.00 0.00 N ATOM 896 CA ALA A 59 8.652 2.082 8.292 1.00 0.00 C ATOM 897 C ALA A 59 8.467 1.751 6.809 1.00 0.00 C ATOM 898 O ALA A 59 8.525 0.587 6.418 1.00 0.00 O ATOM 899 CB ALA A 59 7.422 1.720 9.127 1.00 0.00 C ATOM 0 H ALA A 59 8.112 4.101 8.451 1.00 0.00 H new ATOM 0 HA ALA A 59 9.485 1.485 8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.209 0.656 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.614 1.947 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.565 2.298 8.782 1.00 0.00 H new ATOM 905 N LEU A 60 8.249 2.797 6.025 1.00 0.00 N ATOM 906 CA LEU A 60 8.056 2.632 4.595 1.00 0.00 C ATOM 907 C LEU A 60 9.415 2.425 3.922 1.00 0.00 C ATOM 908 O LEU A 60 9.490 1.876 2.823 1.00 0.00 O ATOM 909 CB LEU A 60 7.260 3.807 4.023 1.00 0.00 C ATOM 910 CG LEU A 60 5.750 3.779 4.273 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.139 5.169 4.091 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.068 2.732 3.390 1.00 0.00 C ATOM 0 H LEU A 60 8.202 3.762 6.353 1.00 0.00 H new ATOM 0 HA LEU A 60 7.460 1.743 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.661 4.730 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.430 3.846 2.947 1.00 0.00 H new ATOM 0 HG LEU A 60 5.580 3.486 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.066 5.121 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.597 5.863 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.318 5.515 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.996 2.732 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.244 2.970 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.477 1.746 3.612 1.00 0.00 H new ATOM 924 N GLN A 61 10.454 2.874 4.609 1.00 0.00 N ATOM 925 CA GLN A 61 11.806 2.745 4.091 1.00 0.00 C ATOM 926 C GLN A 61 12.235 1.276 4.090 1.00 0.00 C ATOM 927 O GLN A 61 12.492 0.702 3.033 1.00 0.00 O ATOM 928 CB GLN A 61 12.785 3.602 4.895 1.00 0.00 C ATOM 929 CG GLN A 61 13.085 4.917 4.173 1.00 0.00 C ATOM 930 CD GLN A 61 14.580 5.053 3.880 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.402 4.278 4.339 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.885 6.080 3.091 1.00 0.00 N ATOM 0 H GLN A 61 10.388 3.328 5.520 1.00 0.00 H new ATOM 0 HA GLN A 61 11.817 3.108 3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.367 3.811 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.712 3.050 5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.523 4.960 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.753 5.756 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.147 6.691 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.857 6.256 2.836 1.00 0.00 H new ATOM 941 N LYS A 62 12.301 0.711 5.286 1.00 0.00 N ATOM 942 CA LYS A 62 12.695 -0.679 5.437 1.00 0.00 C ATOM 943 C LYS A 62 12.068 -1.507 4.313 1.00 0.00 C ATOM 944 O LYS A 62 12.637 -2.509 3.883 1.00 0.00 O ATOM 945 CB LYS A 62 12.351 -1.185 6.839 1.00 0.00 C ATOM 946 CG LYS A 62 13.498 -0.918 7.815 1.00 0.00 C ATOM 947 CD LYS A 62 14.665 -1.875 7.566 1.00 0.00 C ATOM 948 CE LYS A 62 14.843 -2.840 8.740 1.00 0.00 C ATOM 949 NZ LYS A 62 16.021 -3.709 8.523 1.00 0.00 N ATOM 0 H LYS A 62 12.088 1.191 6.160 1.00 0.00 H new ATOM 0 HA LYS A 62 13.776 -0.781 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.445 -0.694 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.141 -2.254 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.839 0.112 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.142 -1.031 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.488 -2.439 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.582 -1.305 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.964 -2.277 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.948 -3.452 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.127 -4.358 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.890 -4.260 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.875 -3.121 8.437 1.00 0.00 H new ATOM 963 N VAL A 63 10.903 -1.057 3.869 1.00 0.00 N ATOM 964 CA VAL A 63 10.192 -1.743 2.804 1.00 0.00 C ATOM 965 C VAL A 63 10.869 -1.438 1.466 1.00 0.00 C ATOM 966 O VAL A 63 11.468 -2.320 0.853 1.00 0.00 O ATOM 967 CB VAL A 63 8.712 -1.356 2.828 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.969 -1.957 1.633 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.058 -1.773 4.147 1.00 0.00 C ATOM 0 H VAL A 63 10.434 -0.225 4.228 1.00 0.00 H new ATOM 0 HA VAL A 63 10.233 -2.822 2.951 1.00 0.00 H new ATOM 0 HB VAL A 63 8.648 -0.271 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.919 -1.667 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.411 -1.589 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.047 -3.044 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.006 -1.486 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.139 -2.853 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.562 -1.277 4.976 1.00 0.00 H new ATOM 979 N PHE A 64 10.750 -0.185 1.052 1.00 0.00 N ATOM 980 CA PHE A 64 11.342 0.249 -0.202 1.00 0.00 C ATOM 981 C PHE A 64 12.806 0.649 -0.008 1.00 0.00 C ATOM 982 O PHE A 64 13.704 0.019 -0.564 1.00 0.00 O ATOM 983 CB PHE A 64 10.550 1.470 -0.673 1.00 0.00 C ATOM 984 CG PHE A 64 9.034 1.264 -0.680 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.477 0.340 -1.508 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.243 2.004 0.142 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.070 0.148 -1.515 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.836 1.813 0.135 1.00 0.00 C ATOM 989 CZ PHE A 64 6.279 0.889 -0.693 1.00 0.00 C ATOM 0 H PHE A 64 10.252 0.544 1.563 1.00 0.00 H new ATOM 0 HA PHE A 64 11.308 -0.562 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.788 2.316 -0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.875 1.735 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.105 -0.248 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.685 2.737 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.628 -0.586 -2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.208 2.402 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.209 0.744 -0.698 1.00 0.00 H new ATOM 999 N GLY A 65 13.000 1.693 0.783 1.00 0.00 N ATOM 1000 CA GLY A 65 14.340 2.185 1.058 1.00 0.00 C ATOM 1001 C GLY A 65 14.587 3.523 0.358 1.00 0.00 C ATOM 1002 O GLY A 65 15.732 3.950 0.215 1.00 0.00 O ATOM 0 H GLY A 65 12.252 2.212 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.475 2.303 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.076 1.454 0.723 1.00 0.00 H new ATOM 1006 N GLU A 66 13.495 4.147 -0.059 1.00 0.00 N ATOM 1007 CA GLU A 66 13.579 5.427 -0.741 1.00 0.00 C ATOM 1008 C GLU A 66 12.773 6.485 0.016 1.00 0.00 C ATOM 1009 O GLU A 66 11.657 6.220 0.461 1.00 0.00 O ATOM 1010 CB GLU A 66 13.105 5.309 -2.190 1.00 0.00 C ATOM 1011 CG GLU A 66 13.989 4.342 -2.980 1.00 0.00 C ATOM 1012 CD GLU A 66 14.581 5.024 -4.215 1.00 0.00 C ATOM 1013 OE1 GLU A 66 14.895 6.229 -4.102 1.00 0.00 O ATOM 1014 OE2 GLU A 66 14.706 4.325 -5.244 1.00 0.00 O ATOM 0 H GLU A 66 12.547 3.790 0.062 1.00 0.00 H new ATOM 0 HA GLU A 66 14.623 5.739 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.072 4.962 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.122 6.291 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.793 3.975 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.403 3.475 -3.285 1.00 0.00 H new ATOM 1021 N GLU A 67 13.370 7.662 0.139 1.00 0.00 N ATOM 1022 CA GLU A 67 12.721 8.761 0.834 1.00 0.00 C ATOM 1023 C GLU A 67 11.243 8.837 0.443 1.00 0.00 C ATOM 1024 O GLU A 67 10.377 8.988 1.304 1.00 0.00 O ATOM 1025 CB GLU A 67 13.432 10.085 0.550 1.00 0.00 C ATOM 1026 CG GLU A 67 13.522 10.348 -0.954 1.00 0.00 C ATOM 1027 CD GLU A 67 14.389 11.574 -1.246 1.00 0.00 C ATOM 1028 OE1 GLU A 67 14.300 12.535 -0.451 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.122 11.523 -2.257 1.00 0.00 O ATOM 0 H GLU A 67 14.296 7.878 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 67 12.784 8.575 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.895 10.901 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.434 10.063 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.940 9.475 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.522 10.500 -1.361 1.00 0.00 H new ATOM 1036 N LYS A 68 11.001 8.730 -0.855 1.00 0.00 N ATOM 1037 CA LYS A 68 9.644 8.786 -1.370 1.00 0.00 C ATOM 1038 C LYS A 68 9.485 7.756 -2.491 1.00 0.00 C ATOM 1039 O LYS A 68 10.472 7.323 -3.084 1.00 0.00 O ATOM 1040 CB LYS A 68 9.288 10.213 -1.791 1.00 0.00 C ATOM 1041 CG LYS A 68 10.153 10.669 -2.967 1.00 0.00 C ATOM 1042 CD LYS A 68 9.372 11.606 -3.891 1.00 0.00 C ATOM 1043 CE LYS A 68 9.763 11.386 -5.354 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.806 12.353 -5.763 1.00 0.00 N ATOM 0 H LYS A 68 11.722 8.605 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 68 8.930 8.522 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.235 10.262 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.427 10.890 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.042 11.178 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.496 9.800 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.302 11.436 -3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.565 12.642 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.129 10.368 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.886 11.497 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.060 12.190 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.444 13.322 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.648 12.228 -5.166 1.00 0.00 H new ATOM 1058 N LEU A 69 8.237 7.395 -2.747 1.00 0.00 N ATOM 1059 CA LEU A 69 7.937 6.425 -3.787 1.00 0.00 C ATOM 1060 C LEU A 69 6.639 6.823 -4.491 1.00 0.00 C ATOM 1061 O LEU A 69 5.940 7.732 -4.045 1.00 0.00 O ATOM 1062 CB LEU A 69 7.913 5.009 -3.207 1.00 0.00 C ATOM 1063 CG LEU A 69 8.603 3.930 -4.044 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.523 3.069 -3.176 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.578 3.087 -4.805 1.00 0.00 C ATOM 0 H LEU A 69 7.421 7.756 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 69 8.722 6.422 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.382 5.033 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.874 4.716 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 69 9.230 4.422 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.001 2.310 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.286 3.699 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.937 2.584 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.095 2.328 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.907 2.603 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.001 3.729 -5.470 1.00 0.00 H new ATOM 1077 N LYS A 70 6.355 6.125 -5.581 1.00 0.00 N ATOM 1078 CA LYS A 70 5.153 6.394 -6.351 1.00 0.00 C ATOM 1079 C LYS A 70 3.991 5.581 -5.777 1.00 0.00 C ATOM 1080 O LYS A 70 4.185 4.461 -5.307 1.00 0.00 O ATOM 1081 CB LYS A 70 5.403 6.143 -7.839 1.00 0.00 C ATOM 1082 CG LYS A 70 6.667 6.865 -8.313 1.00 0.00 C ATOM 1083 CD LYS A 70 7.158 6.294 -9.645 1.00 0.00 C ATOM 1084 CE LYS A 70 8.643 5.934 -9.573 1.00 0.00 C ATOM 1085 NZ LYS A 70 9.044 5.149 -10.762 1.00 0.00 N ATOM 0 H LYS A 70 6.937 5.373 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 70 4.877 7.445 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.502 5.073 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.546 6.486 -8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.462 7.930 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.450 6.767 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.577 5.408 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.995 7.022 -10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.241 6.843 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.841 5.360 -8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.082 5.129 -10.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.684 4.177 -10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.648 5.588 -11.618 1.00 0.00 H new ATOM 1099 N PHE A 71 2.809 6.177 -5.833 1.00 0.00 N ATOM 1100 CA PHE A 71 1.616 5.522 -5.324 1.00 0.00 C ATOM 1101 C PHE A 71 1.266 4.292 -6.164 1.00 0.00 C ATOM 1102 O PHE A 71 0.528 3.417 -5.712 1.00 0.00 O ATOM 1103 CB PHE A 71 0.474 6.535 -5.423 1.00 0.00 C ATOM 1104 CG PHE A 71 0.263 7.361 -4.153 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.305 6.790 -3.056 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.644 8.666 -4.119 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.501 7.557 -1.878 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.449 9.433 -2.940 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.119 8.863 -1.844 1.00 0.00 C ATOM 0 H PHE A 71 2.652 7.106 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 71 1.780 5.193 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.673 7.211 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.449 6.005 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.607 5.753 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.095 9.119 -4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.953 7.104 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.752 10.469 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.267 9.446 -0.947 1.00 0.00 H new ATOM 1119 N THR A 72 1.811 4.264 -7.371 1.00 0.00 N ATOM 1120 CA THR A 72 1.565 3.156 -8.278 1.00 0.00 C ATOM 1121 C THR A 72 2.642 2.082 -8.112 1.00 0.00 C ATOM 1122 O THR A 72 2.331 0.896 -8.017 1.00 0.00 O ATOM 1123 CB THR A 72 1.481 3.717 -9.699 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.775 4.266 -9.933 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.543 4.922 -9.798 1.00 0.00 C ATOM 0 H THR A 72 2.422 4.991 -7.742 1.00 0.00 H new ATOM 0 HA THR A 72 0.620 2.662 -8.052 1.00 0.00 H new ATOM 0 HB THR A 72 1.141 2.935 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.809 4.650 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.520 5.281 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.461 4.627 -9.494 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.902 5.717 -9.144 1.00 0.00 H new ATOM 1133 N MET A 73 3.886 2.536 -8.082 1.00 0.00 N ATOM 1134 CA MET A 73 5.011 1.629 -7.929 1.00 0.00 C ATOM 1135 C MET A 73 4.772 0.649 -6.779 1.00 0.00 C ATOM 1136 O MET A 73 5.182 -0.509 -6.850 1.00 0.00 O ATOM 1137 CB MET A 73 6.283 2.434 -7.658 1.00 0.00 C ATOM 1138 CG MET A 73 6.703 3.229 -8.896 1.00 0.00 C ATOM 1139 SD MET A 73 7.632 2.185 -10.006 1.00 0.00 S ATOM 1140 CE MET A 73 9.156 2.036 -9.089 1.00 0.00 C ATOM 0 H MET A 73 4.140 3.521 -8.161 1.00 0.00 H new ATOM 0 HA MET A 73 5.122 1.058 -8.851 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.116 3.115 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 73 7.088 1.761 -7.363 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.821 3.620 -9.404 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.307 4.087 -8.600 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.987 1.907 -9.783 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.314 2.938 -8.497 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.099 1.172 -8.426 1.00 0.00 H new ATOM 1150 N VAL A 74 4.110 1.149 -5.746 1.00 0.00 N ATOM 1151 CA VAL A 74 3.811 0.332 -4.582 1.00 0.00 C ATOM 1152 C VAL A 74 3.417 -1.074 -5.039 1.00 0.00 C ATOM 1153 O VAL A 74 4.083 -2.051 -4.700 1.00 0.00 O ATOM 1154 CB VAL A 74 2.735 1.007 -3.730 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.241 0.070 -2.626 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.247 2.324 -3.143 1.00 0.00 C ATOM 0 H VAL A 74 3.772 2.110 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 74 4.693 0.233 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 74 1.889 1.235 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.477 0.575 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.818 -0.829 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.076 -0.204 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.463 2.784 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.117 2.129 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.526 2.999 -3.952 1.00 0.00 H new ATOM 1166 N SER A 75 2.334 -1.132 -5.801 1.00 0.00 N ATOM 1167 CA SER A 75 1.843 -2.402 -6.308 1.00 0.00 C ATOM 1168 C SER A 75 3.019 -3.302 -6.693 1.00 0.00 C ATOM 1169 O SER A 75 3.072 -4.464 -6.295 1.00 0.00 O ATOM 1170 CB SER A 75 0.917 -2.195 -7.508 1.00 0.00 C ATOM 1171 OG SER A 75 1.607 -1.643 -8.626 1.00 0.00 O ATOM 0 H SER A 75 1.783 -0.320 -6.079 1.00 0.00 H new ATOM 0 HA SER A 75 1.267 -2.886 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.472 -3.149 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.099 -1.533 -7.224 1.00 0.00 H new ATOM 0 HG SER A 75 1.875 -0.723 -8.423 1.00 0.00 H new ATOM 1177 N GLN A 76 3.932 -2.730 -7.464 1.00 0.00 N ATOM 1178 CA GLN A 76 5.104 -3.466 -7.908 1.00 0.00 C ATOM 1179 C GLN A 76 6.046 -3.725 -6.731 1.00 0.00 C ATOM 1180 O GLN A 76 6.390 -4.871 -6.447 1.00 0.00 O ATOM 1181 CB GLN A 76 5.825 -2.721 -9.034 1.00 0.00 C ATOM 1182 CG GLN A 76 7.297 -3.132 -9.107 1.00 0.00 C ATOM 1183 CD GLN A 76 7.778 -3.192 -10.559 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.025 -3.467 -11.478 1.00 0.00 O ATOM 1185 NE2 GLN A 76 9.070 -2.919 -10.712 1.00 0.00 N ATOM 0 H GLN A 76 3.884 -1.766 -7.793 1.00 0.00 H new ATOM 0 HA GLN A 76 4.777 -4.427 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.337 -2.932 -9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.751 -1.646 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.905 -2.421 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.430 -4.106 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.644 -2.696 -9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.487 -2.932 -11.643 1.00 0.00 H new ATOM 1194 N LYS A 77 6.435 -2.641 -6.076 1.00 0.00 N ATOM 1195 CA LYS A 77 7.331 -2.736 -4.936 1.00 0.00 C ATOM 1196 C LYS A 77 6.788 -3.775 -3.953 1.00 0.00 C ATOM 1197 O LYS A 77 7.373 -4.845 -3.789 1.00 0.00 O ATOM 1198 CB LYS A 77 7.553 -1.357 -4.312 1.00 0.00 C ATOM 1199 CG LYS A 77 8.454 -0.494 -5.198 1.00 0.00 C ATOM 1200 CD LYS A 77 9.931 -0.738 -4.880 1.00 0.00 C ATOM 1201 CE LYS A 77 10.787 0.459 -5.299 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.063 0.471 -4.550 1.00 0.00 N ATOM 0 H LYS A 77 6.146 -1.692 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 77 8.316 -3.079 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.594 -0.860 -4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.005 -1.468 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.262 -0.719 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.215 0.559 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.052 -0.920 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.275 -1.634 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.987 0.413 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.242 1.385 -5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.632 1.290 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.867 0.537 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.589 -0.405 -4.746 1.00 0.00 H new ATOM 1216 N ILE A 78 5.676 -3.424 -3.323 1.00 0.00 N ATOM 1217 CA ILE A 78 5.048 -4.313 -2.361 1.00 0.00 C ATOM 1218 C ILE A 78 5.114 -5.750 -2.882 1.00 0.00 C ATOM 1219 O ILE A 78 5.347 -6.682 -2.114 1.00 0.00 O ATOM 1220 CB ILE A 78 3.629 -3.839 -2.040 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.699 -4.044 -3.237 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.632 -2.386 -1.559 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.982 -5.393 -3.150 1.00 0.00 C ATOM 0 H ILE A 78 5.194 -2.536 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 78 5.588 -4.292 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 78 3.242 -4.448 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.964 -3.239 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.274 -3.993 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.611 -2.074 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.240 -2.302 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.046 -1.746 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.327 -5.513 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.719 -6.196 -3.138 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.389 -5.431 -2.236 1.00 0.00 H new ATOM 1235 N SER A 79 4.904 -5.884 -4.183 1.00 0.00 N ATOM 1236 CA SER A 79 4.936 -7.191 -4.816 1.00 0.00 C ATOM 1237 C SER A 79 6.179 -7.960 -4.364 1.00 0.00 C ATOM 1238 O SER A 79 6.086 -9.121 -3.968 1.00 0.00 O ATOM 1239 CB SER A 79 4.914 -7.066 -6.340 1.00 0.00 C ATOM 1240 OG SER A 79 6.212 -7.217 -6.907 1.00 0.00 O ATOM 0 H SER A 79 4.711 -5.108 -4.816 1.00 0.00 H new ATOM 0 HA SER A 79 4.045 -7.741 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.247 -7.821 -6.756 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.508 -6.093 -6.618 1.00 0.00 H new ATOM 0 HG SER A 79 6.720 -6.388 -6.786 1.00 0.00 H new ATOM 1246 N HIS A 80 7.315 -7.282 -4.439 1.00 0.00 N ATOM 1247 CA HIS A 80 8.575 -7.887 -4.043 1.00 0.00 C ATOM 1248 C HIS A 80 8.462 -8.420 -2.613 1.00 0.00 C ATOM 1249 O HIS A 80 9.025 -9.465 -2.290 1.00 0.00 O ATOM 1250 CB HIS A 80 9.731 -6.900 -4.218 1.00 0.00 C ATOM 1251 CG HIS A 80 10.369 -6.937 -5.586 1.00 0.00 C ATOM 1252 ND1 HIS A 80 9.631 -6.998 -6.755 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.681 -6.921 -5.958 1.00 0.00 C ATOM 1254 CE1 HIS A 80 10.472 -7.018 -7.779 1.00 0.00 C ATOM 1255 NE2 HIS A 80 11.742 -6.971 -7.283 1.00 0.00 N ATOM 0 H HIS A 80 7.389 -6.319 -4.768 1.00 0.00 H new ATOM 0 HA HIS A 80 8.795 -8.734 -4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.366 -5.891 -4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.493 -7.112 -3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.527 -6.875 -5.288 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.200 -7.064 -8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.597 -6.974 -7.839 1.00 0.00 H new ATOM 1263 N HIS A 81 7.730 -7.678 -1.795 1.00 0.00 N ATOM 1264 CA HIS A 81 7.536 -8.062 -0.408 1.00 0.00 C ATOM 1265 C HIS A 81 6.448 -9.135 -0.320 1.00 0.00 C ATOM 1266 O HIS A 81 6.541 -10.052 0.494 1.00 0.00 O ATOM 1267 CB HIS A 81 7.232 -6.838 0.458 1.00 0.00 C ATOM 1268 CG HIS A 81 8.303 -5.775 0.416 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.536 -5.928 1.028 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.315 -4.543 -0.170 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.248 -4.832 0.813 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.490 -3.975 0.072 1.00 0.00 N ATOM 0 H HIS A 81 7.264 -6.812 -2.067 1.00 0.00 H new ATOM 0 HA HIS A 81 8.457 -8.493 -0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.288 -6.401 0.133 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.095 -7.161 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.506 -4.104 -0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.253 -4.649 1.163 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.778 -3.049 -0.245 1.00 0.00 H new ATOM 1280 N LEU A 82 5.443 -8.984 -1.170 1.00 0.00 N ATOM 1281 CA LEU A 82 4.339 -9.929 -1.199 1.00 0.00 C ATOM 1282 C LEU A 82 4.892 -11.349 -1.336 1.00 0.00 C ATOM 1283 O LEU A 82 5.587 -11.657 -2.303 1.00 0.00 O ATOM 1284 CB LEU A 82 3.339 -9.550 -2.292 1.00 0.00 C ATOM 1285 CG LEU A 82 2.632 -8.204 -2.118 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.366 -8.135 -2.974 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.343 -7.923 -0.643 1.00 0.00 C ATOM 0 H LEU A 82 5.370 -8.222 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 82 3.782 -9.893 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.862 -9.542 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.581 -10.331 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 82 3.301 -7.419 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.883 -7.168 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.630 -8.258 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.682 -8.930 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.840 -6.961 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.702 -8.708 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.280 -7.900 -0.087 1.00 0.00 H new ATOM 1299 N SER A 83 4.563 -12.175 -0.354 1.00 0.00 N ATOM 1300 CA SER A 83 5.018 -13.555 -0.353 1.00 0.00 C ATOM 1301 C SER A 83 3.820 -14.501 -0.256 1.00 0.00 C ATOM 1302 O SER A 83 2.758 -14.116 0.230 1.00 0.00 O ATOM 1303 CB SER A 83 5.992 -13.813 0.799 1.00 0.00 C ATOM 1304 OG SER A 83 7.351 -13.730 0.377 1.00 0.00 O ATOM 0 H SER A 83 3.987 -11.915 0.447 1.00 0.00 H new ATOM 0 HA SER A 83 5.546 -13.742 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.814 -13.088 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.803 -14.800 1.220 1.00 0.00 H new ATOM 0 HG SER A 83 7.942 -13.899 1.141 1.00 0.00 H new ATOM 1310 N PRO A 84 4.036 -15.754 -0.739 1.00 0.00 N ATOM 1311 CA PRO A 84 2.986 -16.758 -0.712 1.00 0.00 C ATOM 1312 C PRO A 84 2.784 -17.301 0.704 1.00 0.00 C ATOM 1313 O PRO A 84 3.720 -17.812 1.317 1.00 0.00 O ATOM 1314 CB PRO A 84 3.436 -17.824 -1.698 1.00 0.00 C ATOM 1315 CG PRO A 84 4.928 -17.610 -1.892 1.00 0.00 C ATOM 1316 CD PRO A 84 5.281 -16.246 -1.321 1.00 0.00 C ATOM 0 HA PRO A 84 2.013 -16.357 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.232 -18.823 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.902 -17.731 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.495 -18.393 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.186 -17.660 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.066 -16.323 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.648 -15.575 -2.097 1.00 0.00 H new ATOM 1324 N PRO A 85 1.523 -17.169 1.196 1.00 0.00 N ATOM 1325 CA PRO A 85 1.185 -17.641 2.528 1.00 0.00 C ATOM 1326 C PRO A 85 1.074 -19.166 2.558 1.00 0.00 C ATOM 1327 O PRO A 85 1.138 -19.817 1.516 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.120 -16.943 2.873 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.703 -16.472 1.551 1.00 0.00 C ATOM 1330 CD PRO A 85 0.389 -16.569 0.499 1.00 0.00 C ATOM 0 HA PRO A 85 1.953 -17.407 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.804 -17.623 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.052 -16.103 3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.559 -17.086 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.061 -15.446 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.073 -17.183 -0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.644 -15.587 0.101 1.00 0.00 H new ATOM 1338 N PRO A 86 0.904 -19.706 3.794 1.00 0.00 N ATOM 1339 CA PRO A 86 0.783 -21.143 3.973 1.00 0.00 C ATOM 1340 C PRO A 86 -0.596 -21.636 3.531 1.00 0.00 C ATOM 1341 O PRO A 86 -1.616 -21.201 4.064 1.00 0.00 O ATOM 1342 CB PRO A 86 1.052 -21.379 5.451 1.00 0.00 C ATOM 1343 CG PRO A 86 0.855 -20.034 6.131 1.00 0.00 C ATOM 1344 CD PRO A 86 0.823 -18.966 5.050 1.00 0.00 C ATOM 0 HA PRO A 86 1.487 -21.704 3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.370 -22.126 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.064 -21.752 5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.073 -20.027 6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.664 -19.840 6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.092 -18.376 5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.657 -18.272 5.155 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.583 -22.562 2.535 1.00 0.00 N ATOM 1353 CA PRO A 87 -1.819 -23.119 2.014 1.00 0.00 C ATOM 1354 C PRO A 87 -2.420 -24.131 2.993 1.00 0.00 C ATOM 1355 O PRO A 87 -2.045 -24.164 4.164 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.441 -23.738 0.678 1.00 0.00 C ATOM 1357 CG PRO A 87 0.069 -23.915 0.714 1.00 0.00 C ATOM 1358 CD PRO A 87 0.606 -23.101 1.880 1.00 0.00 C ATOM 0 HA PRO A 87 -2.596 -22.366 1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.943 -24.695 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.739 -23.094 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.327 -24.967 0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.515 -23.580 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.187 -23.722 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.265 -22.303 1.536 1.00 0.00 H new ATOM 1366 N SER A 88 -3.341 -24.930 2.477 1.00 0.00 N ATOM 1367 CA SER A 88 -3.997 -25.940 3.290 1.00 0.00 C ATOM 1368 C SER A 88 -4.852 -26.850 2.407 1.00 0.00 C ATOM 1369 O SER A 88 -5.932 -26.457 1.966 1.00 0.00 O ATOM 1370 CB SER A 88 -4.858 -25.296 4.379 1.00 0.00 C ATOM 1371 OG SER A 88 -4.204 -25.294 5.645 1.00 0.00 O ATOM 0 H SER A 88 -3.649 -24.899 1.505 1.00 0.00 H new ATOM 0 HA SER A 88 -3.228 -26.538 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.098 -24.272 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.803 -25.834 4.460 1.00 0.00 H new ATOM 0 HG SER A 88 -3.301 -24.927 5.546 1.00 0.00 H new ATOM 1377 N GLY A 89 -4.338 -28.048 2.173 1.00 0.00 N ATOM 1378 CA GLY A 89 -5.041 -29.017 1.350 1.00 0.00 C ATOM 1379 C GLY A 89 -4.125 -30.184 0.973 1.00 0.00 C ATOM 1380 O GLY A 89 -2.998 -30.274 1.457 1.00 0.00 O ATOM 0 H GLY A 89 -3.442 -28.370 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.912 -29.392 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.409 -28.532 0.446 1.00 0.00 H new ATOM 1384 N PRO A 90 -4.658 -31.070 0.090 1.00 0.00 N ATOM 1385 CA PRO A 90 -3.901 -32.227 -0.357 1.00 0.00 C ATOM 1386 C PRO A 90 -2.822 -31.821 -1.363 1.00 0.00 C ATOM 1387 O PRO A 90 -1.632 -32.004 -1.110 1.00 0.00 O ATOM 1388 CB PRO A 90 -4.937 -33.171 -0.946 1.00 0.00 C ATOM 1389 CG PRO A 90 -6.164 -32.319 -1.229 1.00 0.00 C ATOM 1390 CD PRO A 90 -5.990 -30.995 -0.503 1.00 0.00 C ATOM 0 HA PRO A 90 -3.355 -32.711 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.566 -33.637 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.173 -33.976 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.276 -32.155 -2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.067 -32.825 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.071 -30.153 -1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.756 -30.858 0.260 1.00 0.00 H new ATOM 1398 N SER A 91 -3.276 -31.278 -2.483 1.00 0.00 N ATOM 1399 CA SER A 91 -2.364 -30.844 -3.528 1.00 0.00 C ATOM 1400 C SER A 91 -1.534 -32.030 -4.022 1.00 0.00 C ATOM 1401 O SER A 91 -0.470 -32.318 -3.476 1.00 0.00 O ATOM 1402 CB SER A 91 -1.448 -29.725 -3.029 1.00 0.00 C ATOM 1403 OG SER A 91 -1.014 -28.878 -4.090 1.00 0.00 O ATOM 0 H SER A 91 -4.264 -31.129 -2.690 1.00 0.00 H new ATOM 0 HA SER A 91 -2.953 -30.451 -4.356 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.975 -29.130 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.580 -30.160 -2.534 1.00 0.00 H new ATOM 0 HG SER A 91 -0.433 -28.175 -3.731 1.00 0.00 H new ATOM 1409 N SER A 92 -2.051 -32.686 -5.051 1.00 0.00 N ATOM 1410 CA SER A 92 -1.370 -33.834 -5.625 1.00 0.00 C ATOM 1411 C SER A 92 -1.298 -33.692 -7.147 1.00 0.00 C ATOM 1412 O SER A 92 -2.265 -33.271 -7.781 1.00 0.00 O ATOM 1413 CB SER A 92 -2.073 -35.138 -5.246 1.00 0.00 C ATOM 1414 OG SER A 92 -1.700 -35.587 -3.946 1.00 0.00 O ATOM 0 H SER A 92 -2.933 -32.444 -5.502 1.00 0.00 H new ATOM 0 HA SER A 92 -0.358 -33.869 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.153 -34.992 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.830 -35.907 -5.979 1.00 0.00 H new ATOM 0 HG SER A 92 -2.171 -36.421 -3.740 1.00 0.00 H new ATOM 1420 N GLY A 93 -0.144 -34.052 -7.689 1.00 0.00 N ATOM 1421 CA GLY A 93 0.066 -33.971 -9.125 1.00 0.00 C ATOM 1422 C GLY A 93 1.452 -34.493 -9.507 1.00 0.00 C ATOM 1423 O GLY A 93 2.454 -33.808 -9.306 1.00 0.00 O ATOM 0 H GLY A 93 0.655 -34.400 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.700 -34.550 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.040 -32.937 -9.454 1.00 0.00 H new TER 1427 GLY A 93