USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 721 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Set 2.1: A 66 HIS : no HE2:sc= -2.2 K(o=-6.1,f=-7.2) USER MOD Set 2.2: A 133 HIS : no HE2:sc= -3.92! C(o=-6.1!,f=-7.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.99 F(o=-3.8,f=-3) USER MOD Single : A 9 SER OG : rot 11:sc= -2 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.8) USER MOD Single : A 15 THR OG1 : rot -76:sc= 0.129 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.9) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00152) USER MOD Single : A 31 SER OG : rot -128:sc= -0.0146 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 112:sc= 1.64 USER MOD Single : A 39 GLN : amide:sc=-0.00654 X(o=-0.0065,f=-0.28) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 62:sc= 0.0621 USER MOD Single : A 79 ASN : amide:sc= -0.3 K(o=-0.3,f=-3.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.0605 (180deg=-0.322) USER MOD Single : A 102 LYS NZ :NH3+ 172:sc= 0.707 (180deg=0.668) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 3 2.918 -3.801 -1.816 1.00 0.00 N ATOM 30 CA PHE A 3 2.651 -5.096 -1.201 1.00 0.00 C ATOM 31 C PHE A 3 3.879 -5.998 -1.278 1.00 0.00 C ATOM 32 O PHE A 3 4.768 -5.788 -2.105 1.00 0.00 O ATOM 33 CB PHE A 3 1.462 -5.774 -1.884 1.00 0.00 C ATOM 34 CG PHE A 3 0.772 -6.789 -1.019 1.00 0.00 C ATOM 35 CD1 PHE A 3 -0.258 -6.412 -0.173 1.00 0.00 C ATOM 36 CD2 PHE A 3 1.154 -8.121 -1.052 1.00 0.00 C ATOM 37 CE1 PHE A 3 -0.894 -7.345 0.625 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.521 -9.058 -0.257 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.504 -8.669 0.582 1.00 0.00 C ATOM 0 HA PHE A 3 2.410 -4.929 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.741 -5.012 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.807 -6.260 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.568 -5.378 -0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.956 -8.430 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.695 -7.039 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 3 0.828 -10.093 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.000 -9.399 1.204 1.00 0.00 H new ATOM 49 N LYS A 4 3.923 -7.004 -0.411 1.00 0.00 N ATOM 50 CA LYS A 4 5.040 -7.940 -0.380 1.00 0.00 C ATOM 51 C LYS A 4 4.591 -9.306 0.127 1.00 0.00 C ATOM 52 O LYS A 4 3.684 -9.406 0.953 1.00 0.00 O ATOM 53 CB LYS A 4 6.162 -7.398 0.510 1.00 0.00 C ATOM 54 CG LYS A 4 7.245 -6.661 -0.258 1.00 0.00 C ATOM 55 CD LYS A 4 8.134 -7.623 -1.029 1.00 0.00 C ATOM 56 CE LYS A 4 9.033 -6.886 -2.010 1.00 0.00 C ATOM 57 NZ LYS A 4 10.203 -6.263 -1.332 1.00 0.00 N ATOM 0 H LYS A 4 3.197 -7.192 0.280 1.00 0.00 H new ATOM 0 HA LYS A 4 5.414 -8.054 -1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.733 -6.725 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.614 -8.227 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.786 -5.955 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.852 -6.079 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.746 -8.194 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.515 -8.339 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.384 -7.581 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.457 -6.115 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.790 -5.771 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.870 -5.581 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.768 -7.001 -0.865 1.00 0.00 H new ATOM 71 N PHE A 5 5.233 -10.358 -0.373 1.00 0.00 N ATOM 72 CA PHE A 5 4.899 -11.719 0.030 1.00 0.00 C ATOM 73 C PHE A 5 4.915 -11.856 1.550 1.00 0.00 C ATOM 74 O PHE A 5 5.775 -11.293 2.226 1.00 0.00 O ATOM 75 CB PHE A 5 5.881 -12.713 -0.594 1.00 0.00 C ATOM 76 CG PHE A 5 6.057 -12.533 -2.074 1.00 0.00 C ATOM 77 CD1 PHE A 5 5.006 -12.092 -2.862 1.00 0.00 C ATOM 78 CD2 PHE A 5 7.273 -12.806 -2.679 1.00 0.00 C ATOM 79 CE1 PHE A 5 5.164 -11.925 -4.225 1.00 0.00 C ATOM 80 CE2 PHE A 5 7.438 -12.641 -4.041 1.00 0.00 C ATOM 81 CZ PHE A 5 6.381 -12.201 -4.815 1.00 0.00 C ATOM 0 H PHE A 5 5.987 -10.293 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 5 3.893 -11.941 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.850 -12.609 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.533 -13.727 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.051 -11.876 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.102 -13.152 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.337 -11.579 -4.827 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.392 -12.856 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.507 -12.073 -5.880 1.00 0.00 H new ATOM 91 N GLY A 6 3.956 -12.610 2.080 1.00 0.00 N ATOM 92 CA GLY A 6 3.877 -12.807 3.516 1.00 0.00 C ATOM 93 C GLY A 6 4.738 -13.962 3.990 1.00 0.00 C ATOM 94 O GLY A 6 5.528 -14.513 3.224 1.00 0.00 O ATOM 0 H GLY A 6 3.233 -13.087 1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.188 -11.894 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.840 -12.991 3.798 1.00 0.00 H new ATOM 98 N LYS A 7 4.586 -14.328 5.258 1.00 0.00 N ATOM 99 CA LYS A 7 5.356 -15.423 5.836 1.00 0.00 C ATOM 100 C LYS A 7 5.072 -16.732 5.105 1.00 0.00 C ATOM 101 O LYS A 7 5.976 -17.533 4.873 1.00 0.00 O ATOM 102 CB LYS A 7 5.028 -15.576 7.323 1.00 0.00 C ATOM 103 CG LYS A 7 3.546 -15.752 7.604 1.00 0.00 C ATOM 104 CD LYS A 7 3.208 -17.198 7.926 1.00 0.00 C ATOM 105 CE LYS A 7 3.793 -17.623 9.265 1.00 0.00 C ATOM 106 NZ LYS A 7 3.181 -18.886 9.762 1.00 0.00 N ATOM 0 H LYS A 7 3.936 -13.882 5.905 1.00 0.00 H new ATOM 0 HA LYS A 7 6.415 -15.187 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.569 -16.435 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.389 -14.698 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.255 -15.115 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.969 -15.427 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.125 -17.324 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.591 -17.846 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.870 -17.756 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.637 -16.831 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.606 -19.142 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.157 -18.752 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.352 -19.648 9.075 1.00 0.00 H new ATOM 120 N ASN A 8 3.810 -16.941 4.745 1.00 0.00 N ATOM 121 CA ASN A 8 3.408 -18.153 4.039 1.00 0.00 C ATOM 122 C ASN A 8 3.799 -18.080 2.566 1.00 0.00 C ATOM 123 O ASN A 8 4.335 -19.037 2.008 1.00 0.00 O ATOM 124 CB ASN A 8 1.898 -18.365 4.167 1.00 0.00 C ATOM 125 CG ASN A 8 1.379 -18.010 5.547 1.00 0.00 C ATOM 126 OD1 ASN A 8 1.063 -16.737 5.752 1.00 0.00 O flip ATOM 127 ND2 ASN A 8 1.263 -18.872 6.419 1.00 0.00 N flip ATOM 0 H ASN A 8 3.049 -16.288 4.930 1.00 0.00 H new ATOM 0 HA ASN A 8 3.927 -18.997 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.384 -17.758 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.660 -19.406 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.518 -19.839 6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.912 -18.619 7.343 1.00 0.00 H new ATOM 134 N SER A 9 3.529 -16.937 1.943 1.00 0.00 N ATOM 135 CA SER A 9 3.850 -16.740 0.535 1.00 0.00 C ATOM 136 C SER A 9 5.316 -17.064 0.261 1.00 0.00 C ATOM 137 O SER A 9 5.631 -17.872 -0.612 1.00 0.00 O ATOM 138 CB SER A 9 3.548 -15.300 0.118 1.00 0.00 C ATOM 139 OG SER A 9 3.887 -15.080 -1.241 1.00 0.00 O ATOM 0 H SER A 9 3.089 -16.134 2.392 1.00 0.00 H new ATOM 0 HA SER A 9 3.230 -17.418 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.490 -15.088 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.106 -14.610 0.751 1.00 0.00 H new ATOM 0 HG SER A 9 4.079 -15.938 -1.673 1.00 0.00 H new ATOM 145 N GLU A 10 6.207 -16.426 1.014 1.00 0.00 N ATOM 146 CA GLU A 10 7.639 -16.645 0.853 1.00 0.00 C ATOM 147 C GLU A 10 7.967 -18.136 0.870 1.00 0.00 C ATOM 148 O GLU A 10 8.877 -18.591 0.177 1.00 0.00 O ATOM 149 CB GLU A 10 8.415 -15.928 1.959 1.00 0.00 C ATOM 150 CG GLU A 10 9.918 -16.146 1.888 1.00 0.00 C ATOM 151 CD GLU A 10 10.631 -15.705 3.151 1.00 0.00 C ATOM 152 OE1 GLU A 10 10.603 -14.494 3.455 1.00 0.00 O ATOM 153 OE2 GLU A 10 11.218 -16.570 3.835 1.00 0.00 O ATOM 0 H GLU A 10 5.962 -15.754 1.741 1.00 0.00 H new ATOM 0 HA GLU A 10 7.937 -16.236 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.208 -14.859 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.052 -16.272 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.120 -17.202 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.321 -15.597 1.037 1.00 0.00 H new ATOM 160 N LYS A 11 7.219 -18.891 1.668 1.00 0.00 N ATOM 161 CA LYS A 11 7.428 -20.330 1.777 1.00 0.00 C ATOM 162 C LYS A 11 6.866 -21.055 0.558 1.00 0.00 C ATOM 163 O LYS A 11 7.406 -22.074 0.129 1.00 0.00 O ATOM 164 CB LYS A 11 6.770 -20.866 3.050 1.00 0.00 C ATOM 165 CG LYS A 11 6.882 -22.373 3.204 1.00 0.00 C ATOM 166 CD LYS A 11 5.513 -23.028 3.287 1.00 0.00 C ATOM 167 CE LYS A 11 5.008 -23.438 1.912 1.00 0.00 C ATOM 168 NZ LYS A 11 3.656 -24.058 1.980 1.00 0.00 N ATOM 0 H LYS A 11 6.462 -18.530 2.249 1.00 0.00 H new ATOM 0 HA LYS A 11 8.501 -20.514 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.227 -20.386 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.716 -20.586 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.433 -22.786 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.453 -22.606 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.566 -23.905 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.805 -22.337 3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.974 -22.564 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.708 -24.142 1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.347 -24.323 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.693 -24.907 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.982 -23.377 2.385 1.00 0.00 H new ATOM 182 N GLN A 12 5.783 -20.520 0.004 1.00 0.00 N ATOM 183 CA GLN A 12 5.150 -21.117 -1.166 1.00 0.00 C ATOM 184 C GLN A 12 6.087 -21.083 -2.368 1.00 0.00 C ATOM 185 O GLN A 12 6.272 -22.089 -3.054 1.00 0.00 O ATOM 186 CB GLN A 12 3.849 -20.385 -1.497 1.00 0.00 C ATOM 187 CG GLN A 12 2.784 -20.518 -0.420 1.00 0.00 C ATOM 188 CD GLN A 12 1.744 -19.418 -0.489 1.00 0.00 C ATOM 189 OE1 GLN A 12 1.505 -18.838 -1.549 1.00 0.00 O ATOM 190 NE2 GLN A 12 1.117 -19.124 0.644 1.00 0.00 N ATOM 0 H GLN A 12 5.326 -19.675 0.346 1.00 0.00 H new ATOM 0 HA GLN A 12 4.924 -22.158 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.066 -19.328 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.454 -20.771 -2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.291 -21.485 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.260 -20.502 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.346 -19.630 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.406 -18.393 0.659 1.00 0.00 H new ATOM 199 N LEU A 13 6.677 -19.919 -2.619 1.00 0.00 N ATOM 200 CA LEU A 13 7.596 -19.753 -3.740 1.00 0.00 C ATOM 201 C LEU A 13 8.945 -20.399 -3.439 1.00 0.00 C ATOM 202 O LEU A 13 9.635 -20.868 -4.343 1.00 0.00 O ATOM 203 CB LEU A 13 7.788 -18.267 -4.052 1.00 0.00 C ATOM 204 CG LEU A 13 6.548 -17.519 -4.544 1.00 0.00 C ATOM 205 CD1 LEU A 13 5.798 -18.350 -5.574 1.00 0.00 C ATOM 206 CD2 LEU A 13 5.640 -17.166 -3.376 1.00 0.00 C ATOM 0 H LEU A 13 6.535 -19.077 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 13 7.163 -20.248 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.154 -17.772 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.568 -18.173 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 13 6.870 -16.593 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.919 -17.802 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.450 -18.551 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.487 -19.293 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.763 -16.634 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.325 -18.079 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.181 -16.531 -2.674 1.00 0.00 H new ATOM 218 N ALA A 14 9.312 -20.422 -2.162 1.00 0.00 N ATOM 219 CA ALA A 14 10.576 -21.015 -1.741 1.00 0.00 C ATOM 220 C ALA A 14 10.525 -22.536 -1.833 1.00 0.00 C ATOM 221 O ALA A 14 11.556 -23.207 -1.771 1.00 0.00 O ATOM 222 CB ALA A 14 10.916 -20.581 -0.323 1.00 0.00 C ATOM 0 H ALA A 14 8.752 -20.037 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 14 11.357 -20.662 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.862 -21.031 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.003 -19.495 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.127 -20.906 0.356 1.00 0.00 H new ATOM 228 N THR A 15 9.319 -23.076 -1.981 1.00 0.00 N ATOM 229 CA THR A 15 9.135 -24.518 -2.079 1.00 0.00 C ATOM 230 C THR A 15 8.978 -24.955 -3.531 1.00 0.00 C ATOM 231 O THR A 15 8.887 -26.147 -3.826 1.00 0.00 O ATOM 232 CB THR A 15 7.903 -24.983 -1.279 1.00 0.00 C ATOM 233 OG1 THR A 15 6.831 -24.048 -1.445 1.00 0.00 O ATOM 234 CG2 THR A 15 8.238 -25.122 0.198 1.00 0.00 C ATOM 0 H THR A 15 8.455 -22.536 -2.036 1.00 0.00 H new ATOM 0 HA THR A 15 10.028 -24.980 -1.658 1.00 0.00 H new ATOM 0 HB THR A 15 7.597 -25.958 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.001 -23.254 -0.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.353 -25.451 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.035 -25.855 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.567 -24.159 0.589 1.00 0.00 H new ATOM 242 N VAL A 16 8.947 -23.982 -4.437 1.00 0.00 N ATOM 243 CA VAL A 16 8.803 -24.266 -5.860 1.00 0.00 C ATOM 244 C VAL A 16 10.011 -25.029 -6.393 1.00 0.00 C ATOM 245 O VAL A 16 11.145 -24.784 -5.981 1.00 0.00 O ATOM 246 CB VAL A 16 8.626 -22.972 -6.675 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.976 -22.331 -6.960 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.878 -23.256 -7.969 1.00 0.00 C ATOM 0 H VAL A 16 9.020 -22.990 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 16 7.910 -24.881 -5.972 1.00 0.00 H new ATOM 0 HB VAL A 16 8.035 -22.271 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.831 -21.418 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.471 -22.091 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.595 -23.025 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.762 -22.330 -8.533 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.441 -23.975 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.895 -23.666 -7.738 1.00 0.00 H new ATOM 258 N LYS A 17 9.760 -25.954 -7.313 1.00 0.00 N ATOM 259 CA LYS A 17 10.826 -26.753 -7.905 1.00 0.00 C ATOM 260 C LYS A 17 11.655 -25.919 -8.876 1.00 0.00 C ATOM 261 O LYS A 17 12.863 -25.745 -8.709 1.00 0.00 O ATOM 262 CB LYS A 17 10.239 -27.966 -8.631 1.00 0.00 C ATOM 263 CG LYS A 17 10.709 -29.297 -8.069 1.00 0.00 C ATOM 264 CD LYS A 17 9.541 -30.146 -7.595 1.00 0.00 C ATOM 265 CE LYS A 17 9.789 -31.625 -7.849 1.00 0.00 C ATOM 266 NZ LYS A 17 8.813 -32.483 -7.122 1.00 0.00 N ATOM 0 H LYS A 17 8.827 -26.169 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 17 11.477 -27.098 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.151 -27.921 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.506 -27.912 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.267 -29.839 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.393 -29.121 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.378 -29.981 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.631 -29.835 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.723 -31.826 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.801 -31.882 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.015 -33.484 -7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.893 -32.310 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.848 -32.255 -7.437 1.00 0.00 H new ATOM 280 N PRO A 18 10.994 -25.388 -9.916 1.00 0.00 N ATOM 281 CA PRO A 18 11.651 -24.561 -10.933 1.00 0.00 C ATOM 282 C PRO A 18 12.081 -23.204 -10.387 1.00 0.00 C ATOM 283 O PRO A 18 12.124 -22.998 -9.175 1.00 0.00 O ATOM 284 CB PRO A 18 10.570 -24.389 -12.002 1.00 0.00 C ATOM 285 CG PRO A 18 9.283 -24.557 -11.271 1.00 0.00 C ATOM 286 CD PRO A 18 9.555 -25.553 -10.178 1.00 0.00 C ATOM 0 HA PRO A 18 12.567 -25.021 -11.304 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.632 -23.408 -12.473 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.675 -25.131 -12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.942 -23.608 -10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.499 -24.914 -11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.959 -25.347 -9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.318 -26.569 -10.492 1.00 0.00 H new ATOM 294 N GLU A 19 12.398 -22.281 -11.290 1.00 0.00 N ATOM 295 CA GLU A 19 12.825 -20.943 -10.897 1.00 0.00 C ATOM 296 C GLU A 19 11.776 -19.903 -11.281 1.00 0.00 C ATOM 297 O GLU A 19 12.059 -18.705 -11.317 1.00 0.00 O ATOM 298 CB GLU A 19 14.164 -20.599 -11.552 1.00 0.00 C ATOM 299 CG GLU A 19 14.207 -20.891 -13.042 1.00 0.00 C ATOM 300 CD GLU A 19 14.772 -22.263 -13.352 1.00 0.00 C ATOM 301 OE1 GLU A 19 15.917 -22.540 -12.937 1.00 0.00 O ATOM 302 OE2 GLU A 19 14.071 -23.060 -14.010 1.00 0.00 O ATOM 0 H GLU A 19 12.367 -22.435 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 19 12.945 -20.930 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.376 -19.542 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.956 -21.162 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.200 -20.816 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.811 -20.133 -13.540 1.00 0.00 H new ATOM 309 N LEU A 20 10.566 -20.369 -11.568 1.00 0.00 N ATOM 310 CA LEU A 20 9.474 -19.481 -11.949 1.00 0.00 C ATOM 311 C LEU A 20 9.294 -18.367 -10.923 1.00 0.00 C ATOM 312 O LEU A 20 8.945 -17.240 -11.271 1.00 0.00 O ATOM 313 CB LEU A 20 8.173 -20.272 -12.094 1.00 0.00 C ATOM 314 CG LEU A 20 7.492 -20.689 -10.790 1.00 0.00 C ATOM 315 CD1 LEU A 20 6.577 -19.582 -10.288 1.00 0.00 C ATOM 316 CD2 LEU A 20 6.713 -21.981 -10.985 1.00 0.00 C ATOM 0 H LEU A 20 10.316 -21.358 -11.544 1.00 0.00 H new ATOM 0 HA LEU A 20 9.725 -19.029 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.470 -19.673 -12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.380 -21.170 -12.676 1.00 0.00 H new ATOM 0 HG LEU A 20 8.263 -20.863 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.101 -19.897 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.162 -18.680 -10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.812 -19.375 -11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.235 -22.263 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.951 -21.835 -11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.394 -22.773 -11.297 1.00 0.00 H new ATOM 328 N GLN A 21 9.537 -18.692 -9.657 1.00 0.00 N ATOM 329 CA GLN A 21 9.403 -17.718 -8.580 1.00 0.00 C ATOM 330 C GLN A 21 10.304 -16.512 -8.821 1.00 0.00 C ATOM 331 O GLN A 21 9.994 -15.397 -8.401 1.00 0.00 O ATOM 332 CB GLN A 21 9.742 -18.363 -7.235 1.00 0.00 C ATOM 333 CG GLN A 21 11.153 -18.926 -7.170 1.00 0.00 C ATOM 334 CD GLN A 21 11.580 -19.267 -5.756 1.00 0.00 C ATOM 335 OE1 GLN A 21 11.986 -20.394 -5.472 1.00 0.00 O ATOM 336 NE2 GLN A 21 11.491 -18.291 -4.859 1.00 0.00 N ATOM 0 H GLN A 21 9.827 -19.621 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 21 8.368 -17.376 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.618 -17.623 -6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.030 -19.164 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.212 -19.821 -7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.849 -18.201 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.149 -17.371 -5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.765 -18.461 -3.891 1.00 0.00 H new ATOM 345 N LYS A 22 11.423 -16.742 -9.500 1.00 0.00 N ATOM 346 CA LYS A 22 12.371 -15.676 -9.799 1.00 0.00 C ATOM 347 C LYS A 22 11.677 -14.511 -10.498 1.00 0.00 C ATOM 348 O LYS A 22 11.729 -13.373 -10.031 1.00 0.00 O ATOM 349 CB LYS A 22 13.508 -16.206 -10.675 1.00 0.00 C ATOM 350 CG LYS A 22 14.382 -17.236 -9.980 1.00 0.00 C ATOM 351 CD LYS A 22 15.740 -17.359 -10.651 1.00 0.00 C ATOM 352 CE LYS A 22 16.633 -16.173 -10.322 1.00 0.00 C ATOM 353 NZ LYS A 22 17.226 -16.285 -8.960 1.00 0.00 N ATOM 0 H LYS A 22 11.695 -17.659 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 22 12.785 -15.317 -8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.085 -16.650 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.130 -15.370 -10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.515 -16.956 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.882 -18.204 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.224 -18.281 -10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.609 -17.429 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.431 -16.104 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.054 -15.252 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.841 -15.466 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.465 -16.308 -8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.786 -17.159 -8.896 1.00 0.00 H new ATOM 367 N VAL A 23 11.027 -14.803 -11.620 1.00 0.00 N ATOM 368 CA VAL A 23 10.320 -13.781 -12.382 1.00 0.00 C ATOM 369 C VAL A 23 9.205 -13.151 -11.554 1.00 0.00 C ATOM 370 O VAL A 23 8.923 -11.960 -11.679 1.00 0.00 O ATOM 371 CB VAL A 23 9.719 -14.360 -13.676 1.00 0.00 C ATOM 372 CG1 VAL A 23 8.409 -13.666 -14.015 1.00 0.00 C ATOM 373 CG2 VAL A 23 10.709 -14.238 -14.824 1.00 0.00 C ATOM 0 H VAL A 23 10.975 -15.739 -12.021 1.00 0.00 H new ATOM 0 HA VAL A 23 11.053 -13.017 -12.641 1.00 0.00 H new ATOM 0 HB VAL A 23 9.510 -15.418 -13.517 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.000 -14.089 -14.933 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.699 -13.811 -13.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.588 -12.600 -14.155 1.00 0.00 H new ATOM 0 HG21 VAL A 23 10.268 -14.652 -15.731 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.951 -13.188 -14.985 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.619 -14.787 -14.580 1.00 0.00 H new ATOM 383 N ALA A 24 8.575 -13.959 -10.709 1.00 0.00 N ATOM 384 CA ALA A 24 7.492 -13.481 -9.858 1.00 0.00 C ATOM 385 C ALA A 24 7.968 -12.359 -8.942 1.00 0.00 C ATOM 386 O ALA A 24 7.369 -11.285 -8.896 1.00 0.00 O ATOM 387 CB ALA A 24 6.918 -14.627 -9.039 1.00 0.00 C ATOM 0 H ALA A 24 8.796 -14.948 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 24 6.708 -13.081 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.110 -14.255 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.531 -15.395 -9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.701 -15.054 -8.412 1.00 0.00 H new ATOM 393 N ARG A 25 9.049 -12.616 -8.213 1.00 0.00 N ATOM 394 CA ARG A 25 9.605 -11.628 -7.295 1.00 0.00 C ATOM 395 C ARG A 25 10.068 -10.385 -8.050 1.00 0.00 C ATOM 396 O ARG A 25 9.716 -9.262 -7.690 1.00 0.00 O ATOM 397 CB ARG A 25 10.775 -12.228 -6.513 1.00 0.00 C ATOM 398 CG ARG A 25 11.123 -11.456 -5.251 1.00 0.00 C ATOM 399 CD ARG A 25 12.148 -12.200 -4.409 1.00 0.00 C ATOM 400 NE ARG A 25 11.602 -13.431 -3.843 1.00 0.00 N ATOM 401 CZ ARG A 25 10.815 -13.462 -2.773 1.00 0.00 C ATOM 402 NH1 ARG A 25 10.484 -12.336 -2.156 1.00 0.00 N ATOM 403 NH2 ARG A 25 10.358 -14.622 -2.318 1.00 0.00 N ATOM 0 H ARG A 25 9.558 -13.500 -8.240 1.00 0.00 H new ATOM 0 HA ARG A 25 8.821 -11.337 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.532 -13.256 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.652 -12.266 -7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.514 -10.475 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.220 -11.290 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.017 -12.437 -5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.494 -11.553 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 25 11.838 -14.315 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.834 -11.443 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.880 -12.363 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.611 -15.490 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.754 -14.645 -1.496 1.00 0.00 H new ATOM 417 N ARG A 26 10.859 -10.596 -9.097 1.00 0.00 N ATOM 418 CA ARG A 26 11.371 -9.493 -9.901 1.00 0.00 C ATOM 419 C ARG A 26 10.228 -8.714 -10.546 1.00 0.00 C ATOM 420 O ARG A 26 10.326 -7.504 -10.750 1.00 0.00 O ATOM 421 CB ARG A 26 12.318 -10.018 -10.981 1.00 0.00 C ATOM 422 CG ARG A 26 13.647 -10.516 -10.436 1.00 0.00 C ATOM 423 CD ARG A 26 14.775 -10.299 -11.433 1.00 0.00 C ATOM 424 NE ARG A 26 15.607 -9.153 -11.076 1.00 0.00 N ATOM 425 CZ ARG A 26 16.827 -8.951 -11.562 1.00 0.00 C ATOM 426 NH1 ARG A 26 17.353 -9.813 -12.422 1.00 0.00 N ATOM 427 NH2 ARG A 26 17.523 -7.885 -11.189 1.00 0.00 N ATOM 0 H ARG A 26 11.159 -11.520 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 26 11.920 -8.820 -9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.828 -10.830 -11.518 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.506 -9.225 -11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.877 -9.997 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.569 -11.577 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.394 -11.195 -11.481 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.356 -10.147 -12.428 1.00 0.00 H new ATOM 0 HE ARG A 26 15.231 -8.471 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.821 -10.633 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 26 18.290 -9.655 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.122 -7.219 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.459 -7.731 -11.563 1.00 0.00 H new ATOM 441 N ALA A 27 9.147 -9.416 -10.866 1.00 0.00 N ATOM 442 CA ALA A 27 7.986 -8.791 -11.487 1.00 0.00 C ATOM 443 C ALA A 27 7.315 -7.809 -10.532 1.00 0.00 C ATOM 444 O ALA A 27 6.931 -6.707 -10.927 1.00 0.00 O ATOM 445 CB ALA A 27 6.993 -9.852 -11.939 1.00 0.00 C ATOM 0 H ALA A 27 9.051 -10.419 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 27 8.328 -8.234 -12.359 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.131 -9.370 -12.401 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.471 -10.513 -12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.665 -10.434 -11.078 1.00 0.00 H new ATOM 451 N LEU A 28 7.175 -8.216 -9.275 1.00 0.00 N ATOM 452 CA LEU A 28 6.550 -7.372 -8.263 1.00 0.00 C ATOM 453 C LEU A 28 7.119 -5.957 -8.306 1.00 0.00 C ATOM 454 O LEU A 28 6.410 -4.985 -8.051 1.00 0.00 O ATOM 455 CB LEU A 28 6.753 -7.974 -6.872 1.00 0.00 C ATOM 456 CG LEU A 28 5.704 -7.606 -5.822 1.00 0.00 C ATOM 457 CD1 LEU A 28 5.249 -8.845 -5.065 1.00 0.00 C ATOM 458 CD2 LEU A 28 6.255 -6.564 -4.860 1.00 0.00 C ATOM 0 H LEU A 28 7.486 -9.125 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 28 5.483 -7.321 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.777 -9.060 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.731 -7.665 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 28 4.841 -7.180 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.503 -8.564 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.814 -9.559 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.104 -9.301 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.495 -6.314 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.135 -6.963 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.530 -5.667 -5.414 1.00 0.00 H new ATOM 470 N GLU A 29 8.404 -5.852 -8.631 1.00 0.00 N ATOM 471 CA GLU A 29 9.067 -4.555 -8.709 1.00 0.00 C ATOM 472 C GLU A 29 8.978 -3.982 -10.120 1.00 0.00 C ATOM 473 O GLU A 29 8.589 -2.829 -10.310 1.00 0.00 O ATOM 474 CB GLU A 29 10.533 -4.682 -8.289 1.00 0.00 C ATOM 475 CG GLU A 29 10.753 -5.631 -7.123 1.00 0.00 C ATOM 476 CD GLU A 29 11.737 -5.087 -6.105 1.00 0.00 C ATOM 477 OE1 GLU A 29 11.715 -3.864 -5.853 1.00 0.00 O ATOM 478 OE2 GLU A 29 12.528 -5.885 -5.561 1.00 0.00 O ATOM 0 H GLU A 29 9.006 -6.648 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 29 8.558 -3.874 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.118 -5.026 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.912 -3.696 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.799 -5.825 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.118 -6.586 -7.501 1.00 0.00 H new ATOM 485 N LEU A 30 9.343 -4.794 -11.106 1.00 0.00 N ATOM 486 CA LEU A 30 9.305 -4.368 -12.501 1.00 0.00 C ATOM 487 C LEU A 30 7.945 -3.775 -12.853 1.00 0.00 C ATOM 488 O LEU A 30 7.854 -2.641 -13.324 1.00 0.00 O ATOM 489 CB LEU A 30 9.614 -5.549 -13.423 1.00 0.00 C ATOM 490 CG LEU A 30 11.063 -6.036 -13.428 1.00 0.00 C ATOM 491 CD1 LEU A 30 11.215 -7.251 -14.329 1.00 0.00 C ATOM 492 CD2 LEU A 30 12.000 -4.921 -13.870 1.00 0.00 C ATOM 0 H LEU A 30 9.668 -5.750 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 30 10.063 -3.597 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.972 -6.383 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.342 -5.270 -14.441 1.00 0.00 H new ATOM 0 HG LEU A 30 11.331 -6.327 -12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.253 -7.583 -14.320 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.574 -8.055 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.928 -6.987 -15.347 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.027 -5.286 -13.867 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.732 -4.598 -14.876 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.913 -4.079 -13.184 1.00 0.00 H new ATOM 504 N SER A 31 6.890 -4.549 -12.619 1.00 0.00 N ATOM 505 CA SER A 31 5.533 -4.101 -12.913 1.00 0.00 C ATOM 506 C SER A 31 5.239 -2.772 -12.224 1.00 0.00 C ATOM 507 O SER A 31 5.895 -2.387 -11.255 1.00 0.00 O ATOM 508 CB SER A 31 4.518 -5.155 -12.468 1.00 0.00 C ATOM 509 OG SER A 31 3.554 -4.597 -11.591 1.00 0.00 O ATOM 0 H SER A 31 6.948 -5.489 -12.227 1.00 0.00 H new ATOM 0 HA SER A 31 5.449 -3.958 -13.990 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.019 -5.576 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.035 -5.975 -11.970 1.00 0.00 H new ATOM 0 HG SER A 31 3.494 -5.144 -10.780 1.00 0.00 H new ATOM 515 N PRO A 32 4.229 -2.053 -12.734 1.00 0.00 N ATOM 516 CA PRO A 32 3.823 -0.756 -12.184 1.00 0.00 C ATOM 517 C PRO A 32 3.167 -0.887 -10.814 1.00 0.00 C ATOM 518 O PRO A 32 3.522 -0.176 -9.874 1.00 0.00 O ATOM 519 CB PRO A 32 2.815 -0.234 -13.212 1.00 0.00 C ATOM 520 CG PRO A 32 2.274 -1.458 -13.867 1.00 0.00 C ATOM 521 CD PRO A 32 3.404 -2.450 -13.888 1.00 0.00 C ATOM 0 HA PRO A 32 4.675 -0.095 -12.029 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.023 0.342 -12.733 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.294 0.424 -13.937 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.420 -1.851 -13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.928 -1.239 -14.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.042 -3.473 -13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.966 -2.399 -14.820 1.00 0.00 H new ATOM 529 N TYR A 33 2.209 -1.801 -10.707 1.00 0.00 N ATOM 530 CA TYR A 33 1.501 -2.024 -9.452 1.00 0.00 C ATOM 531 C TYR A 33 1.913 -3.352 -8.823 1.00 0.00 C ATOM 532 O TYR A 33 2.054 -4.362 -9.514 1.00 0.00 O ATOM 533 CB TYR A 33 -0.010 -2.003 -9.683 1.00 0.00 C ATOM 534 CG TYR A 33 -0.432 -1.140 -10.851 1.00 0.00 C ATOM 535 CD1 TYR A 33 -0.216 0.232 -10.839 1.00 0.00 C ATOM 536 CD2 TYR A 33 -1.048 -1.697 -11.965 1.00 0.00 C ATOM 537 CE1 TYR A 33 -0.600 1.025 -11.904 1.00 0.00 C ATOM 538 CE2 TYR A 33 -1.435 -0.912 -13.034 1.00 0.00 C ATOM 539 CZ TYR A 33 -1.209 0.448 -12.999 1.00 0.00 C ATOM 540 OH TYR A 33 -1.593 1.233 -14.061 1.00 0.00 O ATOM 0 H TYR A 33 1.905 -2.400 -11.475 1.00 0.00 H new ATOM 0 HA TYR A 33 1.767 -1.220 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.358 -3.022 -9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.502 -1.643 -8.780 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.260 0.687 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.227 -2.762 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.424 2.090 -11.879 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.912 -1.361 -13.893 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.006 0.672 -14.750 1.00 0.00 H new ATOM 550 N ASP A 34 2.102 -3.343 -7.509 1.00 0.00 N ATOM 551 CA ASP A 34 2.496 -4.547 -6.785 1.00 0.00 C ATOM 552 C ASP A 34 1.486 -5.669 -7.006 1.00 0.00 C ATOM 553 O ASP A 34 0.528 -5.515 -7.764 1.00 0.00 O ATOM 554 CB ASP A 34 2.626 -4.249 -5.290 1.00 0.00 C ATOM 555 CG ASP A 34 3.893 -3.485 -4.960 1.00 0.00 C ATOM 556 OD1 ASP A 34 4.095 -2.394 -5.532 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.683 -3.979 -4.129 1.00 0.00 O ATOM 0 H ASP A 34 1.989 -2.516 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 34 3.463 -4.872 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.761 -3.672 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.615 -5.186 -4.733 1.00 0.00 H new ATOM 562 N PHE A 35 1.708 -6.797 -6.341 1.00 0.00 N ATOM 563 CA PHE A 35 0.819 -7.946 -6.467 1.00 0.00 C ATOM 564 C PHE A 35 0.987 -8.896 -5.284 1.00 0.00 C ATOM 565 O PHE A 35 2.099 -9.119 -4.805 1.00 0.00 O ATOM 566 CB PHE A 35 1.094 -8.690 -7.775 1.00 0.00 C ATOM 567 CG PHE A 35 2.258 -9.636 -7.694 1.00 0.00 C ATOM 568 CD1 PHE A 35 2.094 -10.915 -7.189 1.00 0.00 C ATOM 569 CD2 PHE A 35 3.516 -9.245 -8.123 1.00 0.00 C ATOM 570 CE1 PHE A 35 3.163 -11.788 -7.113 1.00 0.00 C ATOM 571 CE2 PHE A 35 4.589 -10.113 -8.050 1.00 0.00 C ATOM 572 CZ PHE A 35 4.412 -11.386 -7.544 1.00 0.00 C ATOM 0 H PHE A 35 2.496 -6.940 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.208 -7.580 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.202 -9.248 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.282 -7.963 -8.565 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.119 -11.234 -6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.660 -8.251 -8.519 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.022 -12.783 -6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.565 -9.796 -8.388 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.249 -12.066 -7.485 1.00 0.00 H new ATOM 582 N THR A 36 -0.126 -9.453 -4.817 1.00 0.00 N ATOM 583 CA THR A 36 -0.104 -10.377 -3.690 1.00 0.00 C ATOM 584 C THR A 36 -0.190 -11.823 -4.163 1.00 0.00 C ATOM 585 O THR A 36 -1.027 -12.164 -4.999 1.00 0.00 O ATOM 586 CB THR A 36 -1.262 -10.098 -2.713 1.00 0.00 C ATOM 587 OG1 THR A 36 -1.176 -10.980 -1.588 1.00 0.00 O ATOM 588 CG2 THR A 36 -2.606 -10.277 -3.402 1.00 0.00 C ATOM 0 H THR A 36 -1.054 -9.280 -5.202 1.00 0.00 H new ATOM 0 HA THR A 36 0.843 -10.223 -3.173 1.00 0.00 H new ATOM 0 HB THR A 36 -1.181 -9.066 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.952 -10.465 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.408 -10.075 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.680 -9.585 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.694 -11.300 -3.767 1.00 0.00 H new ATOM 596 N ILE A 37 0.680 -12.670 -3.623 1.00 0.00 N ATOM 597 CA ILE A 37 0.701 -14.081 -3.989 1.00 0.00 C ATOM 598 C ILE A 37 -0.464 -14.831 -3.352 1.00 0.00 C ATOM 599 O ILE A 37 -0.802 -14.603 -2.191 1.00 0.00 O ATOM 600 CB ILE A 37 2.021 -14.752 -3.569 1.00 0.00 C ATOM 601 CG1 ILE A 37 3.116 -14.464 -4.598 1.00 0.00 C ATOM 602 CG2 ILE A 37 1.823 -16.252 -3.404 1.00 0.00 C ATOM 603 CD1 ILE A 37 2.942 -15.222 -5.895 1.00 0.00 C ATOM 0 H ILE A 37 1.380 -12.404 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 37 0.610 -14.127 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 37 2.333 -14.338 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.131 -13.395 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.084 -14.717 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.765 -16.713 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.071 -16.438 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.491 -16.681 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.754 -14.968 -6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.957 -16.293 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.989 -14.951 -6.350 1.00 0.00 H new ATOM 615 N VAL A 38 -1.073 -15.729 -4.120 1.00 0.00 N ATOM 616 CA VAL A 38 -2.199 -16.516 -3.630 1.00 0.00 C ATOM 617 C VAL A 38 -1.774 -17.946 -3.317 1.00 0.00 C ATOM 618 O VAL A 38 -2.123 -18.492 -2.270 1.00 0.00 O ATOM 619 CB VAL A 38 -3.350 -16.546 -4.653 1.00 0.00 C ATOM 620 CG1 VAL A 38 -4.503 -17.393 -4.134 1.00 0.00 C ATOM 621 CG2 VAL A 38 -3.816 -15.133 -4.971 1.00 0.00 C ATOM 0 H VAL A 38 -0.806 -15.930 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.548 -16.035 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.984 -16.999 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.307 -17.403 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.157 -18.412 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.872 -16.972 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.630 -15.173 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.166 -14.651 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.987 -14.562 -5.388 1.00 0.00 H new ATOM 631 N GLN A 39 -1.019 -18.547 -4.231 1.00 0.00 N ATOM 632 CA GLN A 39 -0.546 -19.915 -4.051 1.00 0.00 C ATOM 633 C GLN A 39 0.739 -20.154 -4.837 1.00 0.00 C ATOM 634 O GLN A 39 0.977 -19.520 -5.864 1.00 0.00 O ATOM 635 CB GLN A 39 -1.621 -20.910 -4.493 1.00 0.00 C ATOM 636 CG GLN A 39 -2.461 -21.447 -3.345 1.00 0.00 C ATOM 637 CD GLN A 39 -3.124 -22.770 -3.677 1.00 0.00 C ATOM 638 OE1 GLN A 39 -2.476 -23.697 -4.164 1.00 0.00 O ATOM 639 NE2 GLN A 39 -4.422 -22.864 -3.413 1.00 0.00 N ATOM 0 H GLN A 39 -0.722 -18.109 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.336 -20.064 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.277 -20.426 -5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.143 -21.745 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.830 -21.572 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.227 -20.716 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.919 -22.070 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.922 -23.730 -3.614 1.00 0.00 H new ATOM 648 N GLY A 40 1.564 -21.074 -4.346 1.00 0.00 N ATOM 649 CA GLY A 40 2.815 -21.380 -5.015 1.00 0.00 C ATOM 650 C GLY A 40 3.069 -22.872 -5.115 1.00 0.00 C ATOM 651 O GLY A 40 3.203 -23.413 -6.213 1.00 0.00 O ATOM 0 H GLY A 40 1.388 -21.612 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.803 -20.949 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.637 -20.910 -4.475 1.00 0.00 H new ATOM 655 N ILE A 41 3.137 -23.537 -3.967 1.00 0.00 N ATOM 656 CA ILE A 41 3.377 -24.974 -3.930 1.00 0.00 C ATOM 657 C ILE A 41 2.407 -25.670 -2.981 1.00 0.00 C ATOM 658 O ILE A 41 2.059 -25.133 -1.929 1.00 0.00 O ATOM 659 CB ILE A 41 4.820 -25.293 -3.496 1.00 0.00 C ATOM 660 CG1 ILE A 41 5.652 -25.735 -4.701 1.00 0.00 C ATOM 661 CG2 ILE A 41 4.823 -26.368 -2.419 1.00 0.00 C ATOM 662 CD1 ILE A 41 5.182 -27.035 -5.315 1.00 0.00 C ATOM 0 H ILE A 41 3.029 -23.104 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 41 3.220 -25.346 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 41 5.268 -24.390 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.622 -24.953 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.692 -25.843 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.850 -26.583 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.261 -26.017 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.361 -27.275 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.817 -27.287 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.238 -27.830 -4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.151 -26.926 -5.653 1.00 0.00 H new ATOM 674 N ARG A 42 1.974 -26.868 -3.360 1.00 0.00 N ATOM 675 CA ARG A 42 1.045 -27.638 -2.542 1.00 0.00 C ATOM 676 C ARG A 42 1.796 -28.586 -1.611 1.00 0.00 C ATOM 677 O ARG A 42 2.488 -29.498 -2.063 1.00 0.00 O ATOM 678 CB ARG A 42 0.087 -28.432 -3.432 1.00 0.00 C ATOM 679 CG ARG A 42 -0.945 -27.569 -4.140 1.00 0.00 C ATOM 680 CD ARG A 42 -2.309 -27.676 -3.477 1.00 0.00 C ATOM 681 NE ARG A 42 -3.390 -27.742 -4.457 1.00 0.00 N ATOM 682 CZ ARG A 42 -3.779 -28.867 -5.046 1.00 0.00 C ATOM 683 NH1 ARG A 42 -3.179 -30.013 -4.756 1.00 0.00 N ATOM 684 NH2 ARG A 42 -4.771 -28.847 -5.928 1.00 0.00 N ATOM 0 H ARG A 42 2.252 -27.326 -4.228 1.00 0.00 H new ATOM 0 HA ARG A 42 0.471 -26.939 -1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.665 -28.977 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.429 -29.175 -2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.617 -26.530 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.022 -27.874 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.337 -28.564 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.463 -26.817 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.872 -26.877 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.416 -30.032 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.480 -30.875 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.235 -27.967 -6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.069 -29.711 -6.380 1.00 0.00 H new ATOM 1035 N HIS A 66 0.174 -26.703 -9.606 1.00 0.00 N ATOM 1036 CA HIS A 66 0.926 -26.495 -8.374 1.00 0.00 C ATOM 1037 C HIS A 66 1.473 -27.817 -7.842 1.00 0.00 C ATOM 1038 O HIS A 66 2.428 -27.837 -7.065 1.00 0.00 O ATOM 1039 CB HIS A 66 0.042 -25.834 -7.316 1.00 0.00 C ATOM 1040 CG HIS A 66 -0.428 -24.465 -7.699 1.00 0.00 C ATOM 1041 ND1 HIS A 66 -0.083 -23.327 -7.000 1.00 0.00 N ATOM 1042 CD2 HIS A 66 -1.219 -24.053 -8.718 1.00 0.00 C ATOM 1043 CE1 HIS A 66 -0.644 -22.276 -7.570 1.00 0.00 C ATOM 1044 NE2 HIS A 66 -1.338 -22.689 -8.615 1.00 0.00 N ATOM 0 HA HIS A 66 1.766 -25.837 -8.597 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.825 -26.468 -7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.596 -25.770 -6.380 1.00 0.00 H new ATOM 0 HD1 HIS A 66 0.512 -23.301 -6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.672 -24.680 -9.471 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.551 -21.253 -7.238 1.00 0.00 H new ATOM 1052 N ILE A 67 0.862 -28.918 -8.266 1.00 0.00 N ATOM 1053 CA ILE A 67 1.288 -30.243 -7.833 1.00 0.00 C ATOM 1054 C ILE A 67 2.776 -30.452 -8.089 1.00 0.00 C ATOM 1055 O ILE A 67 3.498 -30.970 -7.236 1.00 0.00 O ATOM 1056 CB ILE A 67 0.494 -31.351 -8.549 1.00 0.00 C ATOM 1057 CG1 ILE A 67 -0.976 -30.950 -8.685 1.00 0.00 C ATOM 1058 CG2 ILE A 67 0.622 -32.666 -7.793 1.00 0.00 C ATOM 1059 CD1 ILE A 67 -1.645 -30.649 -7.362 1.00 0.00 C ATOM 0 H ILE A 67 0.070 -28.919 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 67 1.094 -30.303 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 67 0.908 -31.486 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.047 -30.072 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.519 -31.753 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.056 -33.440 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.671 -32.956 -7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.231 -32.545 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.685 -30.372 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.606 -31.533 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.127 -29.825 -6.871 1.00 0.00 H new ATOM 1071 N THR A 68 3.231 -30.045 -9.270 1.00 0.00 N ATOM 1072 CA THR A 68 4.634 -30.187 -9.639 1.00 0.00 C ATOM 1073 C THR A 68 5.391 -28.879 -9.438 1.00 0.00 C ATOM 1074 O THR A 68 6.550 -28.754 -9.830 1.00 0.00 O ATOM 1075 CB THR A 68 4.787 -30.635 -11.105 1.00 0.00 C ATOM 1076 OG1 THR A 68 4.274 -29.625 -11.982 1.00 0.00 O ATOM 1077 CG2 THR A 68 4.054 -31.945 -11.349 1.00 0.00 C ATOM 0 H THR A 68 2.648 -29.614 -9.987 1.00 0.00 H new ATOM 0 HA THR A 68 5.056 -30.952 -8.987 1.00 0.00 H new ATOM 0 HB THR A 68 5.847 -30.787 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.376 -29.917 -12.912 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.176 -32.242 -12.391 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.466 -32.719 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.994 -31.815 -11.131 1.00 0.00 H new ATOM 1085 N GLY A 69 4.726 -27.904 -8.824 1.00 0.00 N ATOM 1086 CA GLY A 69 5.353 -26.618 -8.581 1.00 0.00 C ATOM 1087 C GLY A 69 5.772 -25.926 -9.863 1.00 0.00 C ATOM 1088 O GLY A 69 6.641 -25.054 -9.850 1.00 0.00 O ATOM 0 H GLY A 69 3.765 -27.982 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.661 -25.977 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.227 -26.758 -7.945 1.00 0.00 H new ATOM 1092 N ASP A 70 5.154 -26.315 -10.973 1.00 0.00 N ATOM 1093 CA ASP A 70 5.468 -25.727 -12.269 1.00 0.00 C ATOM 1094 C ASP A 70 4.500 -24.595 -12.601 1.00 0.00 C ATOM 1095 O ASP A 70 4.312 -24.248 -13.767 1.00 0.00 O ATOM 1096 CB ASP A 70 5.418 -26.795 -13.363 1.00 0.00 C ATOM 1097 CG ASP A 70 6.576 -27.769 -13.275 1.00 0.00 C ATOM 1098 OD1 ASP A 70 7.581 -27.437 -12.612 1.00 0.00 O ATOM 1099 OD2 ASP A 70 6.478 -28.863 -13.869 1.00 0.00 O ATOM 0 H ASP A 70 4.432 -27.035 -11.001 1.00 0.00 H new ATOM 0 HA ASP A 70 6.476 -25.316 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.479 -27.344 -13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.428 -26.311 -14.340 1.00 0.00 H new ATOM 1104 N ALA A 71 3.889 -24.025 -11.569 1.00 0.00 N ATOM 1105 CA ALA A 71 2.942 -22.932 -11.750 1.00 0.00 C ATOM 1106 C ALA A 71 2.578 -22.292 -10.415 1.00 0.00 C ATOM 1107 O ALA A 71 2.728 -22.909 -9.360 1.00 0.00 O ATOM 1108 CB ALA A 71 1.690 -23.431 -12.457 1.00 0.00 C ATOM 0 H ALA A 71 4.033 -24.302 -10.598 1.00 0.00 H new ATOM 0 HA ALA A 71 3.418 -22.171 -12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.991 -22.605 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.960 -23.834 -13.433 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.221 -24.213 -11.859 1.00 0.00 H new ATOM 1114 N ILE A 72 2.101 -21.053 -10.468 1.00 0.00 N ATOM 1115 CA ILE A 72 1.716 -20.331 -9.261 1.00 0.00 C ATOM 1116 C ILE A 72 0.601 -19.332 -9.551 1.00 0.00 C ATOM 1117 O ILE A 72 0.371 -18.959 -10.701 1.00 0.00 O ATOM 1118 CB ILE A 72 2.914 -19.583 -8.647 1.00 0.00 C ATOM 1119 CG1 ILE A 72 3.454 -18.544 -9.632 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.006 -20.565 -8.253 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.779 -17.195 -9.517 1.00 0.00 C ATOM 0 H ILE A 72 1.972 -20.528 -11.333 1.00 0.00 H new ATOM 0 HA ILE A 72 1.358 -21.074 -8.548 1.00 0.00 H new ATOM 0 HB ILE A 72 2.578 -19.064 -7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.524 -18.421 -9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.329 -18.919 -10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.846 -20.021 -7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.614 -21.270 -7.520 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.342 -21.109 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.212 -16.508 -10.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.712 -17.304 -9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.926 -16.799 -8.512 1.00 0.00 H new ATOM 1133 N ASP A 73 -0.088 -18.902 -8.499 1.00 0.00 N ATOM 1134 CA ASP A 73 -1.178 -17.943 -8.640 1.00 0.00 C ATOM 1135 C ASP A 73 -0.880 -16.664 -7.864 1.00 0.00 C ATOM 1136 O ASP A 73 -0.180 -16.689 -6.851 1.00 0.00 O ATOM 1137 CB ASP A 73 -2.491 -18.557 -8.151 1.00 0.00 C ATOM 1138 CG ASP A 73 -3.705 -17.904 -8.783 1.00 0.00 C ATOM 1139 OD1 ASP A 73 -4.000 -16.741 -8.439 1.00 0.00 O ATOM 1140 OD2 ASP A 73 -4.361 -18.558 -9.622 1.00 0.00 O ATOM 0 H ASP A 73 0.089 -19.202 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.274 -17.691 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.497 -19.623 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.553 -18.460 -7.067 1.00 0.00 H new ATOM 1145 N PHE A 74 -1.414 -15.547 -8.346 1.00 0.00 N ATOM 1146 CA PHE A 74 -1.204 -14.258 -7.699 1.00 0.00 C ATOM 1147 C PHE A 74 -2.336 -13.290 -8.032 1.00 0.00 C ATOM 1148 O PHE A 74 -3.215 -13.601 -8.836 1.00 0.00 O ATOM 1149 CB PHE A 74 0.137 -13.659 -8.130 1.00 0.00 C ATOM 1150 CG PHE A 74 0.083 -12.964 -9.460 1.00 0.00 C ATOM 1151 CD1 PHE A 74 0.329 -13.661 -10.632 1.00 0.00 C ATOM 1152 CD2 PHE A 74 -0.216 -11.613 -9.539 1.00 0.00 C ATOM 1153 CE1 PHE A 74 0.281 -13.023 -11.857 1.00 0.00 C ATOM 1154 CE2 PHE A 74 -0.266 -10.970 -10.761 1.00 0.00 C ATOM 1155 CZ PHE A 74 -0.019 -11.676 -11.922 1.00 0.00 C ATOM 0 H PHE A 74 -1.996 -15.509 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.193 -14.419 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.470 -12.950 -7.372 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.883 -14.452 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.561 -14.715 -10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.412 -11.056 -8.635 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.478 -13.577 -12.763 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.498 -9.916 -10.808 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.060 -11.176 -12.879 1.00 0.00 H new ATOM 1165 N ALA A 75 -2.307 -12.117 -7.409 1.00 0.00 N ATOM 1166 CA ALA A 75 -3.329 -11.104 -7.640 1.00 0.00 C ATOM 1167 C ALA A 75 -2.705 -9.722 -7.805 1.00 0.00 C ATOM 1168 O ALA A 75 -1.811 -9.325 -7.057 1.00 0.00 O ATOM 1169 CB ALA A 75 -4.334 -11.098 -6.498 1.00 0.00 C ATOM 0 H ALA A 75 -1.587 -11.845 -6.740 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.849 -11.352 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.091 -10.337 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.811 -12.075 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.820 -10.878 -5.562 1.00 0.00 H new ATOM 1175 N PRO A 76 -3.185 -8.971 -8.807 1.00 0.00 N ATOM 1176 CA PRO A 76 -2.688 -7.622 -9.094 1.00 0.00 C ATOM 1177 C PRO A 76 -3.087 -6.617 -8.019 1.00 0.00 C ATOM 1178 O PRO A 76 -4.270 -6.342 -7.821 1.00 0.00 O ATOM 1179 CB PRO A 76 -3.355 -7.274 -10.426 1.00 0.00 C ATOM 1180 CG PRO A 76 -4.590 -8.107 -10.460 1.00 0.00 C ATOM 1181 CD PRO A 76 -4.250 -9.381 -9.738 1.00 0.00 C ATOM 0 HA PRO A 76 -1.599 -7.587 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.592 -6.212 -10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.701 -7.501 -11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.420 -7.594 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.896 -8.310 -11.486 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.113 -9.786 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.907 -10.154 -10.426 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.092 -6.071 -7.327 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.340 -5.098 -6.271 1.00 0.00 C ATOM 1191 C TYR A 77 -2.271 -3.674 -6.815 1.00 0.00 C ATOM 1192 O TYR A 77 -1.247 -3.252 -7.354 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.326 -5.272 -5.139 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.958 -5.366 -3.769 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -2.465 -6.570 -3.297 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -2.046 -4.250 -2.946 1.00 0.00 C ATOM 1197 CE1 TYR A 77 -3.044 -6.660 -2.046 1.00 0.00 C ATOM 1198 CE2 TYR A 77 -2.622 -4.331 -1.692 1.00 0.00 C ATOM 1199 CZ TYR A 77 -3.120 -5.538 -1.247 1.00 0.00 C ATOM 1200 OH TYR A 77 -3.695 -5.624 0.000 1.00 0.00 O ATOM 0 H TYR A 77 -1.107 -6.286 -7.479 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.343 -5.271 -5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.741 -6.173 -5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.631 -4.432 -5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.406 -7.451 -3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.658 -3.303 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.435 -7.604 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.682 -3.454 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.184 -6.251 0.553 1.00 0.00 H new ATOM 1210 N ILE A 78 -3.368 -2.939 -6.670 1.00 0.00 N ATOM 1211 CA ILE A 78 -3.433 -1.562 -7.145 1.00 0.00 C ATOM 1212 C ILE A 78 -4.136 -0.664 -6.133 1.00 0.00 C ATOM 1213 O ILE A 78 -5.111 -1.068 -5.500 1.00 0.00 O ATOM 1214 CB ILE A 78 -4.167 -1.466 -8.496 1.00 0.00 C ATOM 1215 CG1 ILE A 78 -3.330 -2.112 -9.602 1.00 0.00 C ATOM 1216 CG2 ILE A 78 -4.470 -0.014 -8.832 1.00 0.00 C ATOM 1217 CD1 ILE A 78 -4.108 -3.086 -10.458 1.00 0.00 C ATOM 0 H ILE A 78 -4.224 -3.274 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.405 -1.224 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.111 -2.005 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.919 -1.329 -10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.485 -2.632 -9.150 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.989 0.037 -9.789 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.101 0.415 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.538 0.547 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.452 -3.505 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.497 -3.890 -9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.937 -2.566 -10.939 1.00 0.00 H new ATOM 1229 N ASN A 79 -3.635 0.558 -5.986 1.00 0.00 N ATOM 1230 CA ASN A 79 -4.216 1.515 -5.051 1.00 0.00 C ATOM 1231 C ASN A 79 -4.180 0.974 -3.625 1.00 0.00 C ATOM 1232 O ASN A 79 -5.078 1.238 -2.827 1.00 0.00 O ATOM 1233 CB ASN A 79 -5.657 1.839 -5.450 1.00 0.00 C ATOM 1234 CG ASN A 79 -5.734 2.905 -6.526 1.00 0.00 C ATOM 1235 OD1 ASN A 79 -5.153 2.760 -7.601 1.00 0.00 O ATOM 1236 ND2 ASN A 79 -6.455 3.983 -6.240 1.00 0.00 N ATOM 0 H ASN A 79 -2.828 0.909 -6.502 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.622 2.428 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.145 0.932 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.208 2.174 -4.571 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.544 4.733 -6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.920 4.060 -5.335 1.00 0.00 H new ATOM 1243 N GLY A 80 -3.135 0.214 -3.312 1.00 0.00 N ATOM 1244 CA GLY A 80 -3.001 -0.353 -1.983 1.00 0.00 C ATOM 1245 C GLY A 80 -4.077 -1.375 -1.678 1.00 0.00 C ATOM 1246 O GLY A 80 -4.311 -1.715 -0.517 1.00 0.00 O ATOM 0 H GLY A 80 -2.379 -0.019 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.022 -0.822 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.044 0.447 -1.244 1.00 0.00 H new ATOM 1250 N LYS A 81 -4.737 -1.867 -2.721 1.00 0.00 N ATOM 1251 CA LYS A 81 -5.795 -2.857 -2.560 1.00 0.00 C ATOM 1252 C LYS A 81 -5.811 -3.832 -3.733 1.00 0.00 C ATOM 1253 O LYS A 81 -5.293 -3.532 -4.809 1.00 0.00 O ATOM 1254 CB LYS A 81 -7.155 -2.165 -2.440 1.00 0.00 C ATOM 1255 CG LYS A 81 -7.292 -1.306 -1.195 1.00 0.00 C ATOM 1256 CD LYS A 81 -8.677 -0.689 -1.093 1.00 0.00 C ATOM 1257 CE LYS A 81 -8.812 0.529 -1.994 1.00 0.00 C ATOM 1258 NZ LYS A 81 -10.171 1.132 -1.911 1.00 0.00 N ATOM 0 H LYS A 81 -4.557 -1.596 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.597 -3.418 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.316 -1.543 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.939 -2.922 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.097 -1.912 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.541 -0.516 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.428 -1.430 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.874 -0.402 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.067 1.273 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.604 0.243 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.223 1.959 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.881 0.430 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.360 1.428 -0.932 1.00 0.00 H new ATOM 1272 N ILE A 82 -6.409 -4.999 -3.518 1.00 0.00 N ATOM 1273 CA ILE A 82 -6.494 -6.017 -4.558 1.00 0.00 C ATOM 1274 C ILE A 82 -7.370 -5.548 -5.715 1.00 0.00 C ATOM 1275 O ILE A 82 -8.449 -4.994 -5.504 1.00 0.00 O ATOM 1276 CB ILE A 82 -7.056 -7.340 -4.007 1.00 0.00 C ATOM 1277 CG1 ILE A 82 -6.392 -7.685 -2.672 1.00 0.00 C ATOM 1278 CG2 ILE A 82 -6.849 -8.463 -5.012 1.00 0.00 C ATOM 1279 CD1 ILE A 82 -7.307 -7.516 -1.480 1.00 0.00 C ATOM 0 H ILE A 82 -6.842 -5.263 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.479 -6.186 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.126 -7.221 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.040 -8.716 -2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.514 -7.053 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.252 -9.392 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.363 -8.219 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.784 -8.584 -5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.770 -7.778 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.639 -6.479 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.173 -8.168 -1.591 1.00 0.00 H new ATOM 1291 N ASP A 83 -6.900 -5.776 -6.936 1.00 0.00 N ATOM 1292 CA ASP A 83 -7.642 -5.380 -8.127 1.00 0.00 C ATOM 1293 C ASP A 83 -8.274 -6.594 -8.802 1.00 0.00 C ATOM 1294 O ASP A 83 -7.614 -7.310 -9.556 1.00 0.00 O ATOM 1295 CB ASP A 83 -6.722 -4.656 -9.110 1.00 0.00 C ATOM 1296 CG ASP A 83 -7.490 -3.938 -10.202 1.00 0.00 C ATOM 1297 OD1 ASP A 83 -8.654 -3.555 -9.956 1.00 0.00 O ATOM 1298 OD2 ASP A 83 -6.929 -3.758 -11.302 1.00 0.00 O ATOM 0 H ASP A 83 -6.008 -6.233 -7.127 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.438 -4.702 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.110 -3.936 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.041 -5.376 -9.563 1.00 0.00 H new ATOM 1303 N TRP A 84 -9.553 -6.818 -8.527 1.00 0.00 N ATOM 1304 CA TRP A 84 -10.273 -7.946 -9.107 1.00 0.00 C ATOM 1305 C TRP A 84 -11.365 -7.465 -10.057 1.00 0.00 C ATOM 1306 O TRP A 84 -11.893 -8.240 -10.853 1.00 0.00 O ATOM 1307 CB TRP A 84 -10.886 -8.809 -8.003 1.00 0.00 C ATOM 1308 CG TRP A 84 -9.917 -9.783 -7.403 1.00 0.00 C ATOM 1309 CD1 TRP A 84 -9.482 -9.815 -6.109 1.00 0.00 C ATOM 1310 CD2 TRP A 84 -9.261 -10.864 -8.076 1.00 0.00 C ATOM 1311 NE1 TRP A 84 -8.595 -10.851 -5.937 1.00 0.00 N ATOM 1312 CE2 TRP A 84 -8.444 -11.510 -7.128 1.00 0.00 C ATOM 1313 CE3 TRP A 84 -9.287 -11.349 -9.386 1.00 0.00 C ATOM 1314 CZ2 TRP A 84 -7.660 -12.614 -7.451 1.00 0.00 C ATOM 1315 CZ3 TRP A 84 -8.508 -12.445 -9.705 1.00 0.00 C ATOM 1316 CH2 TRP A 84 -7.704 -13.068 -8.741 1.00 0.00 C ATOM 0 H TRP A 84 -10.113 -6.234 -7.906 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.561 -8.545 -9.674 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -11.272 -8.160 -7.217 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.736 -9.357 -8.410 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.790 -9.128 -5.335 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.125 -11.090 -5.064 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.904 -10.876 -10.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.039 -13.095 -6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.519 -12.828 -10.715 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.107 -13.923 -9.022 1.00 0.00 H new ATOM 1327 N ASN A 85 -11.697 -6.181 -9.968 1.00 0.00 N ATOM 1328 CA ASN A 85 -12.726 -5.597 -10.820 1.00 0.00 C ATOM 1329 C ASN A 85 -12.103 -4.906 -12.029 1.00 0.00 C ATOM 1330 O ASN A 85 -12.478 -5.174 -13.171 1.00 0.00 O ATOM 1331 CB ASN A 85 -13.568 -4.597 -10.025 1.00 0.00 C ATOM 1332 CG ASN A 85 -14.749 -5.254 -9.337 1.00 0.00 C ATOM 1333 OD1 ASN A 85 -14.680 -5.599 -8.157 1.00 0.00 O ATOM 1334 ND2 ASN A 85 -15.840 -5.430 -10.073 1.00 0.00 N ATOM 0 H ASN A 85 -11.268 -5.526 -9.315 1.00 0.00 H new ATOM 0 HA ASN A 85 -13.369 -6.402 -11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.940 -4.111 -9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -13.929 -3.817 -10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.666 -5.867 -9.664 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.852 -5.128 -11.047 1.00 0.00 H new ATOM 1341 N ASP A 86 -11.151 -4.017 -11.771 1.00 0.00 N ATOM 1342 CA ASP A 86 -10.475 -3.289 -12.838 1.00 0.00 C ATOM 1343 C ASP A 86 -9.568 -4.217 -13.640 1.00 0.00 C ATOM 1344 O ASP A 86 -8.381 -4.353 -13.342 1.00 0.00 O ATOM 1345 CB ASP A 86 -9.657 -2.134 -12.257 1.00 0.00 C ATOM 1346 CG ASP A 86 -9.631 -0.925 -13.173 1.00 0.00 C ATOM 1347 OD1 ASP A 86 -9.354 -1.100 -14.378 1.00 0.00 O ATOM 1348 OD2 ASP A 86 -9.886 0.195 -12.684 1.00 0.00 O ATOM 0 H ASP A 86 -10.830 -3.783 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.235 -2.886 -13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.074 -1.846 -11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.636 -2.471 -12.075 1.00 0.00 H new ATOM 1353 N LEU A 87 -10.135 -4.856 -14.657 1.00 0.00 N ATOM 1354 CA LEU A 87 -9.379 -5.773 -15.502 1.00 0.00 C ATOM 1355 C LEU A 87 -8.325 -5.024 -16.312 1.00 0.00 C ATOM 1356 O LEU A 87 -7.348 -5.614 -16.771 1.00 0.00 O ATOM 1357 CB LEU A 87 -10.322 -6.526 -16.443 1.00 0.00 C ATOM 1358 CG LEU A 87 -10.963 -5.697 -17.556 1.00 0.00 C ATOM 1359 CD1 LEU A 87 -10.963 -6.470 -18.865 1.00 0.00 C ATOM 1360 CD2 LEU A 87 -12.379 -5.294 -17.172 1.00 0.00 C ATOM 0 H LEU A 87 -11.116 -4.756 -14.917 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.872 -6.490 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.768 -7.345 -16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.117 -6.973 -15.847 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.373 -4.791 -17.694 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.423 -5.864 -19.645 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.937 -6.707 -19.147 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.529 -7.394 -18.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.820 -4.704 -17.976 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.980 -6.188 -17.006 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.353 -4.700 -16.258 1.00 0.00 H new ATOM 1372 N GLU A 88 -8.532 -3.722 -16.482 1.00 0.00 N ATOM 1373 CA GLU A 88 -7.598 -2.893 -17.235 1.00 0.00 C ATOM 1374 C GLU A 88 -6.181 -3.034 -16.687 1.00 0.00 C ATOM 1375 O GLU A 88 -5.298 -3.572 -17.353 1.00 0.00 O ATOM 1376 CB GLU A 88 -8.032 -1.426 -17.188 1.00 0.00 C ATOM 1377 CG GLU A 88 -7.414 -0.574 -18.284 1.00 0.00 C ATOM 1378 CD GLU A 88 -7.465 0.909 -17.968 1.00 0.00 C ATOM 1379 OE1 GLU A 88 -8.489 1.548 -18.289 1.00 0.00 O ATOM 1380 OE2 GLU A 88 -6.482 1.429 -17.401 1.00 0.00 O ATOM 0 H GLU A 88 -9.337 -3.219 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.603 -3.233 -18.271 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.118 -1.374 -17.268 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.763 -1.007 -16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.377 -0.875 -18.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.937 -0.760 -19.222 1.00 0.00 H new ATOM 1387 N ALA A 89 -5.973 -2.545 -15.469 1.00 0.00 N ATOM 1388 CA ALA A 89 -4.665 -2.617 -14.830 1.00 0.00 C ATOM 1389 C ALA A 89 -4.139 -4.048 -14.815 1.00 0.00 C ATOM 1390 O ALA A 89 -2.929 -4.276 -14.799 1.00 0.00 O ATOM 1391 CB ALA A 89 -4.737 -2.064 -13.415 1.00 0.00 C ATOM 0 H ALA A 89 -6.694 -2.095 -14.905 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.971 -2.009 -15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.753 -2.124 -12.950 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.060 -1.023 -13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.450 -2.647 -12.832 1.00 0.00 H new ATOM 1397 N PHE A 90 -5.056 -5.010 -14.820 1.00 0.00 N ATOM 1398 CA PHE A 90 -4.685 -6.421 -14.805 1.00 0.00 C ATOM 1399 C PHE A 90 -3.735 -6.745 -15.954 1.00 0.00 C ATOM 1400 O PHE A 90 -2.907 -7.650 -15.852 1.00 0.00 O ATOM 1401 CB PHE A 90 -5.934 -7.300 -14.897 1.00 0.00 C ATOM 1402 CG PHE A 90 -5.923 -8.458 -13.941 1.00 0.00 C ATOM 1403 CD1 PHE A 90 -4.872 -9.361 -13.937 1.00 0.00 C ATOM 1404 CD2 PHE A 90 -6.965 -8.645 -13.047 1.00 0.00 C ATOM 1405 CE1 PHE A 90 -4.859 -10.428 -13.059 1.00 0.00 C ATOM 1406 CE2 PHE A 90 -6.957 -9.710 -12.166 1.00 0.00 C ATOM 1407 CZ PHE A 90 -5.904 -10.603 -12.172 1.00 0.00 C ATOM 0 H PHE A 90 -6.061 -4.839 -14.834 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.174 -6.627 -13.865 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.815 -6.688 -14.703 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.027 -7.680 -15.914 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.053 -9.229 -14.629 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.792 -7.951 -13.038 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.033 -11.124 -13.066 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.774 -9.844 -11.473 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.897 -11.436 -11.485 1.00 0.00 H new ATOM 1417 N TRP A 91 -3.862 -6.001 -17.046 1.00 0.00 N ATOM 1418 CA TRP A 91 -3.015 -6.209 -18.216 1.00 0.00 C ATOM 1419 C TRP A 91 -1.602 -5.697 -17.963 1.00 0.00 C ATOM 1420 O TRP A 91 -0.622 -6.338 -18.343 1.00 0.00 O ATOM 1421 CB TRP A 91 -3.615 -5.509 -19.436 1.00 0.00 C ATOM 1422 CG TRP A 91 -2.851 -5.762 -20.701 1.00 0.00 C ATOM 1423 CD1 TRP A 91 -2.233 -6.924 -21.066 1.00 0.00 C ATOM 1424 CD2 TRP A 91 -2.624 -4.832 -21.765 1.00 0.00 C ATOM 1425 NE1 TRP A 91 -1.635 -6.772 -22.294 1.00 0.00 N ATOM 1426 CE2 TRP A 91 -1.861 -5.498 -22.745 1.00 0.00 C ATOM 1427 CE3 TRP A 91 -2.992 -3.503 -21.988 1.00 0.00 C ATOM 1428 CZ2 TRP A 91 -1.460 -4.878 -23.925 1.00 0.00 C ATOM 1429 CZ3 TRP A 91 -2.593 -2.888 -23.160 1.00 0.00 C ATOM 1430 CH2 TRP A 91 -1.835 -3.576 -24.116 1.00 0.00 C ATOM 0 H TRP A 91 -4.543 -5.248 -17.147 1.00 0.00 H new ATOM 0 HA TRP A 91 -2.963 -7.280 -18.410 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -4.644 -5.843 -19.568 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -3.650 -4.436 -19.250 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -2.217 -7.829 -20.477 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -1.108 -7.491 -22.790 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.578 -2.965 -21.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -0.874 -5.406 -24.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.870 -1.860 -23.341 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -1.540 -3.068 -25.023 1.00 0.00 H new ATOM 1441 N ALA A 92 -1.503 -4.538 -17.320 1.00 0.00 N ATOM 1442 CA ALA A 92 -0.209 -3.941 -17.015 1.00 0.00 C ATOM 1443 C ALA A 92 0.620 -4.856 -16.119 1.00 0.00 C ATOM 1444 O ALA A 92 1.800 -5.090 -16.377 1.00 0.00 O ATOM 1445 CB ALA A 92 -0.396 -2.583 -16.356 1.00 0.00 C ATOM 0 H ALA A 92 -2.304 -3.994 -17.000 1.00 0.00 H new ATOM 0 HA ALA A 92 0.331 -3.806 -17.952 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.579 -2.149 -16.134 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.942 -1.923 -17.031 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.959 -2.702 -15.431 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.006 -5.369 -15.064 1.00 0.00 N ATOM 1452 CA VAL A 93 0.674 -6.259 -14.130 1.00 0.00 C ATOM 1453 C VAL A 93 1.077 -7.564 -14.808 1.00 0.00 C ATOM 1454 O VAL A 93 2.237 -7.972 -14.755 1.00 0.00 O ATOM 1455 CB VAL A 93 -0.214 -6.578 -12.913 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.355 -7.753 -12.131 1.00 0.00 C ATOM 1457 CG2 VAL A 93 -0.356 -5.353 -12.022 1.00 0.00 C ATOM 0 H VAL A 93 -0.982 -5.184 -14.835 1.00 0.00 H new ATOM 0 HA VAL A 93 1.570 -5.738 -13.791 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.205 -6.856 -13.271 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.285 -7.964 -11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.401 -8.631 -12.775 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.358 -7.506 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.987 -5.596 -11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.628 -5.043 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.811 -4.541 -12.589 1.00 0.00 H new ATOM 1467 N LYS A 94 0.110 -8.215 -15.446 1.00 0.00 N ATOM 1468 CA LYS A 94 0.363 -9.474 -16.138 1.00 0.00 C ATOM 1469 C LYS A 94 1.393 -9.288 -17.247 1.00 0.00 C ATOM 1470 O LYS A 94 2.139 -10.210 -17.576 1.00 0.00 O ATOM 1471 CB LYS A 94 -0.938 -10.028 -16.722 1.00 0.00 C ATOM 1472 CG LYS A 94 -0.983 -11.545 -16.777 1.00 0.00 C ATOM 1473 CD LYS A 94 -2.400 -12.068 -16.610 1.00 0.00 C ATOM 1474 CE LYS A 94 -2.638 -13.310 -17.455 1.00 0.00 C ATOM 1475 NZ LYS A 94 -2.632 -13.000 -18.911 1.00 0.00 N ATOM 0 H LYS A 94 -0.856 -7.892 -15.498 1.00 0.00 H new ATOM 0 HA LYS A 94 0.761 -10.185 -15.414 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.776 -9.670 -16.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.072 -9.632 -17.729 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.578 -11.887 -17.729 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.347 -11.957 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.582 -12.300 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.111 -11.292 -16.893 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.867 -14.050 -17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.594 -13.757 -17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.176 -13.724 -19.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.063 -12.067 -19.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.652 -12.992 -19.260 1.00 0.00 H new ATOM 1489 N LYS A 95 1.429 -8.090 -17.820 1.00 0.00 N ATOM 1490 CA LYS A 95 2.370 -7.781 -18.891 1.00 0.00 C ATOM 1491 C LYS A 95 3.808 -7.845 -18.387 1.00 0.00 C ATOM 1492 O LYS A 95 4.730 -8.133 -19.149 1.00 0.00 O ATOM 1493 CB LYS A 95 2.081 -6.393 -19.467 1.00 0.00 C ATOM 1494 CG LYS A 95 3.055 -5.971 -20.553 1.00 0.00 C ATOM 1495 CD LYS A 95 2.527 -4.787 -21.346 1.00 0.00 C ATOM 1496 CE LYS A 95 3.598 -4.201 -22.253 1.00 0.00 C ATOM 1497 NZ LYS A 95 4.431 -3.189 -21.546 1.00 0.00 N ATOM 0 H LYS A 95 0.817 -7.316 -17.561 1.00 0.00 H new ATOM 0 HA LYS A 95 2.246 -8.526 -19.676 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.069 -6.381 -19.873 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.110 -5.661 -18.660 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.013 -5.710 -20.103 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.237 -6.809 -21.226 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.673 -5.101 -21.946 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.169 -4.019 -20.660 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.237 -5.002 -22.625 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.126 -3.741 -23.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.149 -2.814 -22.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.825 -2.412 -21.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.901 -3.634 -20.732 1.00 0.00 H new ATOM 1511 N ALA A 96 3.991 -7.576 -17.099 1.00 0.00 N ATOM 1512 CA ALA A 96 5.317 -7.606 -16.493 1.00 0.00 C ATOM 1513 C ALA A 96 5.807 -9.039 -16.317 1.00 0.00 C ATOM 1514 O ALA A 96 7.008 -9.306 -16.374 1.00 0.00 O ATOM 1515 CB ALA A 96 5.302 -6.883 -15.154 1.00 0.00 C ATOM 0 H ALA A 96 3.238 -7.335 -16.455 1.00 0.00 H new ATOM 0 HA ALA A 96 6.007 -7.093 -17.163 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.298 -6.913 -14.713 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.003 -5.846 -15.304 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.594 -7.372 -14.485 1.00 0.00 H new ATOM 1521 N PHE A 97 4.871 -9.958 -16.102 1.00 0.00 N ATOM 1522 CA PHE A 97 5.209 -11.364 -15.916 1.00 0.00 C ATOM 1523 C PHE A 97 5.737 -11.972 -17.212 1.00 0.00 C ATOM 1524 O PHE A 97 6.791 -12.608 -17.226 1.00 0.00 O ATOM 1525 CB PHE A 97 3.985 -12.145 -15.435 1.00 0.00 C ATOM 1526 CG PHE A 97 3.943 -12.337 -13.946 1.00 0.00 C ATOM 1527 CD1 PHE A 97 3.578 -11.294 -13.110 1.00 0.00 C ATOM 1528 CD2 PHE A 97 4.269 -13.560 -13.382 1.00 0.00 C ATOM 1529 CE1 PHE A 97 3.540 -11.467 -11.739 1.00 0.00 C ATOM 1530 CE2 PHE A 97 4.232 -13.739 -12.012 1.00 0.00 C ATOM 1531 CZ PHE A 97 3.866 -12.692 -11.190 1.00 0.00 C ATOM 0 H PHE A 97 3.873 -9.754 -16.052 1.00 0.00 H new ATOM 0 HA PHE A 97 5.992 -11.427 -15.160 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.083 -11.622 -15.751 1.00 0.00 H new ATOM 0 HB3 PHE A 97 3.974 -13.121 -15.920 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.320 -10.335 -13.534 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.555 -14.383 -14.020 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.256 -10.646 -11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.489 -14.697 -11.585 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.835 -12.830 -10.119 1.00 0.00 H new ATOM 1541 N GLU A 98 4.996 -11.773 -18.297 1.00 0.00 N ATOM 1542 CA GLU A 98 5.390 -12.303 -19.598 1.00 0.00 C ATOM 1543 C GLU A 98 6.692 -11.666 -20.074 1.00 0.00 C ATOM 1544 O GLU A 98 7.510 -12.314 -20.726 1.00 0.00 O ATOM 1545 CB GLU A 98 4.284 -12.062 -20.627 1.00 0.00 C ATOM 1546 CG GLU A 98 3.768 -10.633 -20.643 1.00 0.00 C ATOM 1547 CD GLU A 98 3.055 -10.283 -21.935 1.00 0.00 C ATOM 1548 OE1 GLU A 98 3.734 -10.176 -22.977 1.00 0.00 O ATOM 1549 OE2 GLU A 98 1.818 -10.118 -21.903 1.00 0.00 O ATOM 0 H GLU A 98 4.121 -11.249 -18.302 1.00 0.00 H new ATOM 0 HA GLU A 98 5.550 -13.376 -19.492 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.660 -12.314 -21.618 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.453 -12.737 -20.420 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.086 -10.488 -19.805 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.603 -9.948 -20.496 1.00 0.00 H new ATOM 1556 N GLN A 99 6.874 -10.391 -19.745 1.00 0.00 N ATOM 1557 CA GLN A 99 8.076 -9.665 -20.140 1.00 0.00 C ATOM 1558 C GLN A 99 9.264 -10.065 -19.272 1.00 0.00 C ATOM 1559 O GLN A 99 10.386 -10.194 -19.760 1.00 0.00 O ATOM 1560 CB GLN A 99 7.841 -8.157 -20.041 1.00 0.00 C ATOM 1561 CG GLN A 99 7.033 -7.589 -21.197 1.00 0.00 C ATOM 1562 CD GLN A 99 6.991 -6.074 -21.191 1.00 0.00 C ATOM 1563 OE1 GLN A 99 7.298 -5.429 -22.194 1.00 0.00 O ATOM 1564 NE2 GLN A 99 6.608 -5.497 -20.058 1.00 0.00 N ATOM 0 H GLN A 99 6.206 -9.840 -19.207 1.00 0.00 H new ATOM 0 HA GLN A 99 8.303 -9.923 -21.174 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.325 -7.939 -19.106 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.805 -7.650 -19.999 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.462 -7.933 -22.138 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.016 -7.977 -21.149 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.363 -6.071 -19.251 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.559 -4.480 -19.995 1.00 0.00 H new ATOM 1573 N ALA A 100 9.009 -10.260 -17.982 1.00 0.00 N ATOM 1574 CA ALA A 100 10.058 -10.647 -17.047 1.00 0.00 C ATOM 1575 C ALA A 100 10.777 -11.907 -17.518 1.00 0.00 C ATOM 1576 O ALA A 100 12.004 -11.941 -17.595 1.00 0.00 O ATOM 1577 CB ALA A 100 9.474 -10.859 -15.658 1.00 0.00 C ATOM 0 H ALA A 100 8.086 -10.156 -17.561 1.00 0.00 H new ATOM 0 HA ALA A 100 10.788 -9.839 -17.004 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.268 -11.148 -14.970 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.013 -9.934 -15.312 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.722 -11.647 -15.696 1.00 0.00 H new ATOM 1583 N GLY A 101 10.003 -12.942 -17.831 1.00 0.00 N ATOM 1584 CA GLY A 101 10.584 -14.190 -18.290 1.00 0.00 C ATOM 1585 C GLY A 101 11.465 -14.006 -19.510 1.00 0.00 C ATOM 1586 O GLY A 101 12.307 -14.852 -19.811 1.00 0.00 O ATOM 0 H GLY A 101 8.985 -12.938 -17.775 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.171 -14.631 -17.485 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.786 -14.894 -18.525 1.00 0.00 H new ATOM 1590 N LYS A 102 11.270 -12.897 -20.216 1.00 0.00 N ATOM 1591 CA LYS A 102 12.051 -12.603 -21.411 1.00 0.00 C ATOM 1592 C LYS A 102 13.419 -12.038 -21.041 1.00 0.00 C ATOM 1593 O LYS A 102 14.426 -12.369 -21.666 1.00 0.00 O ATOM 1594 CB LYS A 102 11.303 -11.612 -22.305 1.00 0.00 C ATOM 1595 CG LYS A 102 10.894 -12.192 -23.648 1.00 0.00 C ATOM 1596 CD LYS A 102 9.457 -12.686 -23.628 1.00 0.00 C ATOM 1597 CE LYS A 102 8.483 -11.583 -24.014 1.00 0.00 C ATOM 1598 NZ LYS A 102 7.087 -11.910 -23.613 1.00 0.00 N ATOM 0 H LYS A 102 10.577 -12.187 -19.980 1.00 0.00 H new ATOM 0 HA LYS A 102 12.197 -13.535 -21.957 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.412 -11.265 -21.782 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.934 -10.739 -22.473 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.008 -11.434 -24.423 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.559 -13.016 -23.907 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.350 -13.525 -24.316 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.212 -13.057 -22.633 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.787 -10.649 -23.542 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.523 -11.424 -25.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.478 -11.082 -23.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.740 -12.708 -24.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.067 -12.169 -22.606 1.00 0.00 H new ATOM 1612 N GLU A 103 13.446 -11.185 -20.022 1.00 0.00 N ATOM 1613 CA GLU A 103 14.691 -10.575 -19.570 1.00 0.00 C ATOM 1614 C GLU A 103 15.468 -11.530 -18.667 1.00 0.00 C ATOM 1615 O GLU A 103 16.698 -11.582 -18.712 1.00 0.00 O ATOM 1616 CB GLU A 103 14.404 -9.270 -18.824 1.00 0.00 C ATOM 1617 CG GLU A 103 13.432 -9.431 -17.667 1.00 0.00 C ATOM 1618 CD GLU A 103 13.245 -8.149 -16.880 1.00 0.00 C ATOM 1619 OE1 GLU A 103 14.146 -7.805 -16.085 1.00 0.00 O ATOM 1620 OE2 GLU A 103 12.200 -7.491 -17.057 1.00 0.00 O ATOM 0 H GLU A 103 12.621 -10.901 -19.494 1.00 0.00 H new ATOM 0 HA GLU A 103 15.299 -10.357 -20.448 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.342 -8.864 -18.446 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.001 -8.541 -19.527 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.467 -9.761 -18.051 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.794 -10.213 -17.000 1.00 0.00 H new ATOM 1627 N LEU A 104 14.742 -12.283 -17.849 1.00 0.00 N ATOM 1628 CA LEU A 104 15.361 -13.236 -16.934 1.00 0.00 C ATOM 1629 C LEU A 104 15.561 -14.589 -17.610 1.00 0.00 C ATOM 1630 O LEU A 104 16.370 -15.402 -17.168 1.00 0.00 O ATOM 1631 CB LEU A 104 14.502 -13.402 -15.680 1.00 0.00 C ATOM 1632 CG LEU A 104 13.977 -12.111 -15.050 1.00 0.00 C ATOM 1633 CD1 LEU A 104 13.320 -12.400 -13.710 1.00 0.00 C ATOM 1634 CD2 LEU A 104 15.103 -11.100 -14.888 1.00 0.00 C ATOM 0 H LEU A 104 13.724 -12.252 -17.800 1.00 0.00 H new ATOM 0 HA LEU A 104 16.338 -12.845 -16.648 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.649 -14.034 -15.929 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.087 -13.936 -14.931 1.00 0.00 H new ATOM 0 HG LEU A 104 13.226 -11.684 -15.715 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.953 -11.470 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.486 -13.087 -13.854 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.049 -12.851 -13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.711 -10.188 -14.438 1.00 0.00 H new ATOM 0 HD22 LEU A 104 15.877 -11.518 -14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.528 -10.869 -15.865 1.00 0.00 H new ATOM 1646 N GLY A 105 14.817 -14.821 -18.688 1.00 0.00 N ATOM 1647 CA GLY A 105 14.929 -16.075 -19.410 1.00 0.00 C ATOM 1648 C GLY A 105 13.994 -17.140 -18.870 1.00 0.00 C ATOM 1649 O GLY A 105 13.758 -18.157 -19.523 1.00 0.00 O ATOM 0 H GLY A 105 14.139 -14.163 -19.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 14.711 -15.905 -20.464 1.00 0.00 H new ATOM 0 HA3 GLY A 105 15.956 -16.434 -19.351 1.00 0.00 H new ATOM 1653 N ILE A 106 13.462 -16.907 -17.675 1.00 0.00 N ATOM 1654 CA ILE A 106 12.548 -17.854 -17.048 1.00 0.00 C ATOM 1655 C ILE A 106 11.289 -18.041 -17.888 1.00 0.00 C ATOM 1656 O ILE A 106 10.712 -17.073 -18.385 1.00 0.00 O ATOM 1657 CB ILE A 106 12.146 -17.397 -15.634 1.00 0.00 C ATOM 1658 CG1 ILE A 106 13.306 -17.604 -14.658 1.00 0.00 C ATOM 1659 CG2 ILE A 106 10.911 -18.151 -15.164 1.00 0.00 C ATOM 1660 CD1 ILE A 106 14.225 -16.407 -14.549 1.00 0.00 C ATOM 0 H ILE A 106 13.648 -16.071 -17.122 1.00 0.00 H new ATOM 0 HA ILE A 106 13.078 -18.804 -16.976 1.00 0.00 H new ATOM 0 HB ILE A 106 11.908 -16.334 -15.666 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.904 -17.834 -13.671 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.887 -18.470 -14.975 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.640 -17.817 -14.163 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.084 -17.957 -15.848 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.123 -19.220 -15.144 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.024 -16.625 -13.840 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.656 -16.189 -15.526 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.658 -15.543 -14.202 1.00 0.00 H new ATOM 1672 N LYS A 107 10.865 -19.291 -18.039 1.00 0.00 N ATOM 1673 CA LYS A 107 9.672 -19.606 -18.815 1.00 0.00 C ATOM 1674 C LYS A 107 8.419 -19.080 -18.124 1.00 0.00 C ATOM 1675 O LYS A 107 8.168 -19.382 -16.956 1.00 0.00 O ATOM 1676 CB LYS A 107 9.557 -21.118 -19.021 1.00 0.00 C ATOM 1677 CG LYS A 107 10.129 -21.597 -20.344 1.00 0.00 C ATOM 1678 CD LYS A 107 11.530 -22.160 -20.175 1.00 0.00 C ATOM 1679 CE LYS A 107 12.587 -21.073 -20.306 1.00 0.00 C ATOM 1680 NZ LYS A 107 13.905 -21.628 -20.721 1.00 0.00 N ATOM 0 H LYS A 107 11.331 -20.103 -17.634 1.00 0.00 H new ATOM 0 HA LYS A 107 9.762 -19.119 -19.786 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.072 -21.627 -18.206 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.507 -21.405 -18.963 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.477 -22.361 -20.768 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.152 -20.769 -21.053 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.616 -22.637 -19.199 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.706 -22.932 -20.924 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.258 -20.333 -21.036 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.695 -20.555 -19.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.598 -20.856 -20.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.231 -22.315 -20.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.808 -22.101 -21.642 1.00 0.00 H new ATOM 1694 N LEU A 108 7.633 -18.293 -18.851 1.00 0.00 N ATOM 1695 CA LEU A 108 6.404 -17.726 -18.308 1.00 0.00 C ATOM 1696 C LEU A 108 5.402 -17.432 -19.420 1.00 0.00 C ATOM 1697 O LEU A 108 5.718 -16.738 -20.387 1.00 0.00 O ATOM 1698 CB LEU A 108 6.710 -16.445 -17.531 1.00 0.00 C ATOM 1699 CG LEU A 108 5.752 -16.107 -16.388 1.00 0.00 C ATOM 1700 CD1 LEU A 108 4.311 -16.134 -16.874 1.00 0.00 C ATOM 1701 CD2 LEU A 108 5.943 -17.074 -15.228 1.00 0.00 C ATOM 0 H LEU A 108 7.825 -18.033 -19.818 1.00 0.00 H new ATOM 0 HA LEU A 108 5.964 -18.458 -17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.717 -16.524 -17.122 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.715 -15.611 -18.233 1.00 0.00 H new ATOM 0 HG LEU A 108 5.977 -15.100 -16.037 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.644 -15.891 -16.047 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.182 -15.402 -17.671 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.073 -17.128 -17.252 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.253 -16.818 -14.424 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.745 -18.091 -15.566 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.968 -17.006 -14.862 1.00 0.00 H new ATOM 2062 N HIS A 133 -3.453 -17.345 -13.885 1.00 0.00 N ATOM 2063 CA HIS A 133 -2.537 -18.364 -13.386 1.00 0.00 C ATOM 2064 C HIS A 133 -1.342 -18.525 -14.321 1.00 0.00 C ATOM 2065 O HIS A 133 -1.505 -18.713 -15.526 1.00 0.00 O ATOM 2066 CB HIS A 133 -3.262 -19.701 -13.232 1.00 0.00 C ATOM 2067 CG HIS A 133 -2.373 -20.816 -12.773 1.00 0.00 C ATOM 2068 ND1 HIS A 133 -1.566 -20.725 -11.659 1.00 0.00 N ATOM 2069 CD2 HIS A 133 -2.169 -22.053 -13.284 1.00 0.00 C ATOM 2070 CE1 HIS A 133 -0.902 -21.857 -11.506 1.00 0.00 C ATOM 2071 NE2 HIS A 133 -1.250 -22.679 -12.479 1.00 0.00 N ATOM 0 HA HIS A 133 -2.172 -18.043 -12.410 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -4.079 -19.582 -12.520 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.710 -19.974 -14.188 1.00 0.00 H new ATOM 0 HD1 HIS A 133 -1.493 -19.911 -11.048 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -2.641 -22.470 -14.161 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.195 -22.073 -10.719 1.00 0.00 H new ATOM 2079 N VAL A 134 -0.141 -18.450 -13.756 1.00 0.00 N ATOM 2080 CA VAL A 134 1.082 -18.587 -14.539 1.00 0.00 C ATOM 2081 C VAL A 134 1.725 -19.952 -14.319 1.00 0.00 C ATOM 2082 O VAL A 134 1.799 -20.439 -13.191 1.00 0.00 O ATOM 2083 CB VAL A 134 2.101 -17.488 -14.186 1.00 0.00 C ATOM 2084 CG1 VAL A 134 1.442 -16.118 -14.218 1.00 0.00 C ATOM 2085 CG2 VAL A 134 2.724 -17.758 -12.824 1.00 0.00 C ATOM 0 H VAL A 134 0.011 -18.295 -12.759 1.00 0.00 H new ATOM 0 HA VAL A 134 0.800 -18.486 -15.587 1.00 0.00 H new ATOM 0 HB VAL A 134 2.895 -17.499 -14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 134 2.178 -15.354 -13.966 1.00 0.00 H new ATOM 0 HG12 VAL A 134 1.048 -15.927 -15.216 1.00 0.00 H new ATOM 0 HG13 VAL A 134 0.627 -16.089 -13.495 1.00 0.00 H new ATOM 0 HG21 VAL A 134 3.442 -16.972 -12.590 1.00 0.00 H new ATOM 0 HG22 VAL A 134 1.943 -17.775 -12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 134 3.234 -18.721 -12.842 1.00 0.00 H new ATOM 2095 N GLU A 135 2.190 -20.563 -15.404 1.00 0.00 N ATOM 2096 CA GLU A 135 2.827 -21.873 -15.328 1.00 0.00 C ATOM 2097 C GLU A 135 3.968 -21.981 -16.335 1.00 0.00 C ATOM 2098 O GLU A 135 4.028 -21.226 -17.307 1.00 0.00 O ATOM 2099 CB GLU A 135 1.801 -22.979 -15.581 1.00 0.00 C ATOM 2100 CG GLU A 135 1.408 -23.121 -17.042 1.00 0.00 C ATOM 2101 CD GLU A 135 0.033 -23.735 -17.219 1.00 0.00 C ATOM 2102 OE1 GLU A 135 -0.914 -23.273 -16.548 1.00 0.00 O ATOM 2103 OE2 GLU A 135 -0.097 -24.679 -18.027 1.00 0.00 O ATOM 0 H GLU A 135 2.138 -20.173 -16.345 1.00 0.00 H new ATOM 0 HA GLU A 135 3.238 -21.992 -14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.207 -23.927 -15.229 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.907 -22.776 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.428 -22.140 -17.517 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.146 -23.738 -17.555 1.00 0.00 H new ATOM 2110 N LEU A 136 4.872 -22.925 -16.097 1.00 0.00 N ATOM 2111 CA LEU A 136 6.013 -23.134 -16.982 1.00 0.00 C ATOM 2112 C LEU A 136 5.554 -23.602 -18.359 1.00 0.00 C ATOM 2113 O LEU A 136 4.674 -24.454 -18.476 1.00 0.00 O ATOM 2114 CB LEU A 136 6.973 -24.159 -16.376 1.00 0.00 C ATOM 2115 CG LEU A 136 8.008 -23.609 -15.393 1.00 0.00 C ATOM 2116 CD1 LEU A 136 9.011 -22.722 -16.115 1.00 0.00 C ATOM 2117 CD2 LEU A 136 7.324 -22.841 -14.272 1.00 0.00 C ATOM 0 H LEU A 136 4.837 -23.558 -15.298 1.00 0.00 H new ATOM 0 HA LEU A 136 6.533 -22.183 -17.096 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.384 -24.921 -15.865 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.502 -24.657 -17.189 1.00 0.00 H new ATOM 0 HG LEU A 136 8.546 -24.449 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 136 9.739 -22.340 -15.400 1.00 0.00 H new ATOM 0 HD12 LEU A 136 9.525 -23.303 -16.881 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.488 -21.887 -16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.076 -22.457 -13.582 1.00 0.00 H new ATOM 0 HD22 LEU A 136 6.759 -22.009 -14.693 1.00 0.00 H new ATOM 0 HD23 LEU A 136 6.646 -23.506 -13.736 1.00 0.00 H new ATOM 2129 N VAL A 137 6.160 -23.041 -19.401 1.00 0.00 N ATOM 2130 CA VAL A 137 5.817 -23.403 -20.771 1.00 0.00 C ATOM 2131 C VAL A 137 7.064 -23.753 -21.575 1.00 0.00 C ATOM 2132 O VAL A 137 7.049 -24.739 -22.311 1.00 0.00 O ATOM 2133 CB VAL A 137 5.064 -22.263 -21.482 1.00 0.00 C ATOM 2134 CG1 VAL A 137 3.712 -22.025 -20.826 1.00 0.00 C ATOM 2135 CG2 VAL A 137 5.899 -20.991 -21.478 1.00 0.00 C ATOM 0 H VAL A 137 6.891 -22.334 -19.322 1.00 0.00 H new ATOM 0 HA VAL A 137 5.167 -24.276 -20.714 1.00 0.00 H new ATOM 0 HB VAL A 137 4.892 -22.555 -22.518 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.195 -21.216 -21.342 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.114 -22.934 -20.885 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.858 -21.754 -19.780 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.352 -20.195 -21.984 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.104 -20.693 -20.450 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.840 -21.172 -21.997 1.00 0.00 H new