USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 76 GLN : amide:sc= -3.92! C(o=-3.7!,f=-6!) USER MOD Set 1.2: A 77 THR OG1 : rot -41:sc= 0.221 USER MOD Set 2.1: A 56 GLN : amide:sc= -5.46! C(o=-5.3!,f=-7.1!) USER MOD Set 2.2: A 62 SER OG : rot -10:sc= 0.169! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -7.89! C(o=-7.9!,f=-9.8!) USER MOD Single : A 25 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.639 (180deg=-1.96!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 70:sc= -2.46 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00424) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.133) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 36:sc= 0.355 USER MOD Single : A 43 THR OG1 : rot -75:sc= -0.0527 USER MOD Single : A 49 MET CE :methyl 148:sc= -0.65 (180deg=-2.76!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -139:sc= -0.136 (180deg=-1.84!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 83 MET CE :methyl -169:sc= -1.34 (180deg=-1.69) USER MOD Single : A 86 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 92 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 4.325 -0.185 -0.406 1.00 0.00 N ATOM 18 CA THR A 22 5.682 0.258 -0.134 1.00 0.00 C ATOM 19 C THR A 22 6.566 0.057 -1.366 1.00 0.00 C ATOM 20 O THR A 22 6.605 -1.033 -1.936 1.00 0.00 O ATOM 21 CB THR A 22 6.184 -0.490 1.103 1.00 0.00 C ATOM 22 OG1 THR A 22 6.370 0.534 2.076 1.00 0.00 O ATOM 23 CG2 THR A 22 7.584 -1.075 0.905 1.00 0.00 C ATOM 0 HA THR A 22 5.714 1.327 0.079 1.00 0.00 H new ATOM 0 HB THR A 22 5.488 -1.291 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.693 0.137 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.893 -1.595 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.571 -1.777 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.288 -0.270 0.691 1.00 0.00 H new ATOM 31 N HIS A 23 7.255 1.124 -1.741 1.00 0.00 N ATOM 32 CA HIS A 23 8.137 1.079 -2.896 1.00 0.00 C ATOM 33 C HIS A 23 9.510 0.555 -2.472 1.00 0.00 C ATOM 34 O HIS A 23 10.153 1.126 -1.593 1.00 0.00 O ATOM 35 CB HIS A 23 8.209 2.446 -3.579 1.00 0.00 C ATOM 36 CG HIS A 23 6.880 2.945 -4.095 1.00 0.00 C ATOM 37 ND1 HIS A 23 5.766 2.132 -4.206 1.00 0.00 N ATOM 38 CD2 HIS A 23 6.500 4.182 -4.528 1.00 0.00 C ATOM 39 CE1 HIS A 23 4.766 2.857 -4.686 1.00 0.00 C ATOM 40 NE2 HIS A 23 5.223 4.127 -4.885 1.00 0.00 N ATOM 0 H HIS A 23 7.221 2.026 -1.266 1.00 0.00 H new ATOM 0 HA HIS A 23 7.736 0.388 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.609 3.173 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.912 2.389 -4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.131 5.057 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.765 2.504 -4.885 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.674 4.906 -5.248 1.00 0.00 H new ATOM 48 N ILE A 24 9.920 -0.527 -3.118 1.00 0.00 N ATOM 49 CA ILE A 24 11.205 -1.135 -2.820 1.00 0.00 C ATOM 50 C ILE A 24 11.676 -1.943 -4.031 1.00 0.00 C ATOM 51 O ILE A 24 10.977 -2.021 -5.039 1.00 0.00 O ATOM 52 CB ILE A 24 11.125 -1.953 -1.529 1.00 0.00 C ATOM 53 CG1 ILE A 24 10.188 -3.151 -1.696 1.00 0.00 C ATOM 54 CG2 ILE A 24 10.721 -1.071 -0.346 1.00 0.00 C ATOM 55 CD1 ILE A 24 10.337 -4.130 -0.530 1.00 0.00 C ATOM 0 H ILE A 24 9.384 -0.998 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 24 11.956 -0.366 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 24 12.118 -2.348 -1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.156 -2.805 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.407 -3.661 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.671 -1.676 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.459 -0.280 -0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.744 -0.627 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.660 -4.972 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.364 -4.493 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.093 -3.623 0.404 1.00 0.00 H new ATOM 67 N ASN A 25 12.859 -2.524 -3.891 1.00 0.00 N ATOM 68 CA ASN A 25 13.431 -3.323 -4.961 1.00 0.00 C ATOM 69 C ASN A 25 13.022 -4.785 -4.775 1.00 0.00 C ATOM 70 O ASN A 25 12.645 -5.193 -3.677 1.00 0.00 O ATOM 71 CB ASN A 25 14.960 -3.253 -4.943 1.00 0.00 C ATOM 72 CG ASN A 25 15.529 -4.020 -3.748 1.00 0.00 C ATOM 73 OD1 ASN A 25 15.770 -3.473 -2.684 1.00 0.00 O ATOM 74 ND2 ASN A 25 15.730 -5.314 -3.981 1.00 0.00 N ATOM 0 H ASN A 25 13.437 -2.457 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 25 13.063 -2.931 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.358 -3.668 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 25 15.280 -2.212 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.107 -5.912 -3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.507 -5.708 -4.895 1.00 0.00 H new ATOM 81 N LEU A 26 13.110 -5.534 -5.864 1.00 0.00 N ATOM 82 CA LEU A 26 12.754 -6.943 -5.834 1.00 0.00 C ATOM 83 C LEU A 26 13.844 -7.755 -6.536 1.00 0.00 C ATOM 84 O LEU A 26 14.385 -7.325 -7.553 1.00 0.00 O ATOM 85 CB LEU A 26 11.356 -7.154 -6.420 1.00 0.00 C ATOM 86 CG LEU A 26 11.115 -8.497 -7.113 1.00 0.00 C ATOM 87 CD1 LEU A 26 9.828 -9.151 -6.607 1.00 0.00 C ATOM 88 CD2 LEU A 26 11.118 -8.337 -8.634 1.00 0.00 C ATOM 0 H LEU A 26 13.423 -5.192 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 26 12.702 -7.301 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.627 -7.046 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.160 -6.357 -7.137 1.00 0.00 H new ATOM 0 HG LEU A 26 11.937 -9.166 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.680 -10.104 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.904 -9.321 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.982 -8.495 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.945 -9.306 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.329 -7.645 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.083 -7.946 -8.957 1.00 0.00 H new ATOM 100 N LYS A 27 14.133 -8.915 -5.965 1.00 0.00 N ATOM 101 CA LYS A 27 15.148 -9.791 -6.523 1.00 0.00 C ATOM 102 C LYS A 27 14.634 -11.232 -6.512 1.00 0.00 C ATOM 103 O LYS A 27 14.363 -11.791 -5.450 1.00 0.00 O ATOM 104 CB LYS A 27 16.478 -9.607 -5.788 1.00 0.00 C ATOM 105 CG LYS A 27 17.474 -8.824 -6.645 1.00 0.00 C ATOM 106 CD LYS A 27 17.223 -7.318 -6.539 1.00 0.00 C ATOM 107 CE LYS A 27 18.462 -6.592 -6.012 1.00 0.00 C ATOM 108 NZ LYS A 27 19.108 -5.815 -7.095 1.00 0.00 N ATOM 0 H LYS A 27 13.682 -9.268 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 27 15.346 -9.530 -7.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.309 -9.081 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.897 -10.582 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.491 -9.050 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.390 -9.138 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.953 -6.921 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.378 -7.132 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.181 -5.926 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.168 -7.315 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.565 -4.972 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.824 -6.405 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.390 -5.522 -7.788 1.00 0.00 H new ATOM 121 N VAL A 28 14.516 -11.793 -7.707 1.00 0.00 N ATOM 122 CA VAL A 28 14.039 -13.159 -7.848 1.00 0.00 C ATOM 123 C VAL A 28 15.220 -14.075 -8.174 1.00 0.00 C ATOM 124 O VAL A 28 15.905 -13.878 -9.177 1.00 0.00 O ATOM 125 CB VAL A 28 12.928 -13.219 -8.898 1.00 0.00 C ATOM 126 CG1 VAL A 28 12.088 -11.940 -8.882 1.00 0.00 C ATOM 127 CG2 VAL A 28 13.504 -13.478 -10.292 1.00 0.00 C ATOM 0 H VAL A 28 14.742 -11.327 -8.586 1.00 0.00 H new ATOM 0 HA VAL A 28 13.603 -13.511 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 28 12.274 -14.053 -8.645 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.306 -12.009 -9.638 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.633 -11.816 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.726 -11.083 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.693 -13.516 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.192 -12.675 -10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.038 -14.428 -10.294 1.00 0.00 H new ATOM 137 N SER A 29 15.421 -15.058 -7.309 1.00 0.00 N ATOM 138 CA SER A 29 16.507 -16.006 -7.492 1.00 0.00 C ATOM 139 C SER A 29 15.943 -17.394 -7.802 1.00 0.00 C ATOM 140 O SER A 29 14.934 -17.800 -7.229 1.00 0.00 O ATOM 141 CB SER A 29 17.404 -16.062 -6.254 1.00 0.00 C ATOM 142 OG SER A 29 17.717 -14.762 -5.762 1.00 0.00 O ATOM 0 H SER A 29 14.850 -15.219 -6.479 1.00 0.00 H new ATOM 0 HA SER A 29 17.115 -15.672 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.907 -16.636 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.326 -16.589 -6.498 1.00 0.00 H new ATOM 0 HG SER A 29 18.290 -14.841 -4.971 1.00 0.00 H new ATOM 148 N ASP A 30 16.621 -18.084 -8.709 1.00 0.00 N ATOM 149 CA ASP A 30 16.200 -19.418 -9.102 1.00 0.00 C ATOM 150 C ASP A 30 17.372 -20.142 -9.766 1.00 0.00 C ATOM 151 O ASP A 30 18.347 -19.511 -10.173 1.00 0.00 O ATOM 152 CB ASP A 30 15.050 -19.358 -10.109 1.00 0.00 C ATOM 153 CG ASP A 30 14.998 -20.520 -11.102 1.00 0.00 C ATOM 154 OD1 ASP A 30 15.950 -20.753 -11.862 1.00 0.00 O ATOM 155 OD2 ASP A 30 13.910 -21.212 -11.076 1.00 0.00 O ATOM 0 H ASP A 30 17.458 -17.744 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 30 15.869 -19.945 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.108 -19.326 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.125 -18.425 -10.668 1.00 0.00 H new ATOM 161 N GLY A 31 17.240 -21.457 -9.856 1.00 0.00 N ATOM 162 CA GLY A 31 18.276 -22.274 -10.464 1.00 0.00 C ATOM 163 C GLY A 31 19.131 -21.448 -11.427 1.00 0.00 C ATOM 164 O GLY A 31 20.299 -21.181 -11.152 1.00 0.00 O ATOM 0 H GLY A 31 16.431 -21.977 -9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.909 -22.703 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 17.820 -23.107 -11.000 1.00 0.00 H new ATOM 168 N SER A 32 18.515 -21.067 -12.537 1.00 0.00 N ATOM 169 CA SER A 32 19.205 -20.277 -13.542 1.00 0.00 C ATOM 170 C SER A 32 18.460 -18.961 -13.776 1.00 0.00 C ATOM 171 O SER A 32 18.911 -18.117 -14.548 1.00 0.00 O ATOM 172 CB SER A 32 19.338 -21.052 -14.855 1.00 0.00 C ATOM 173 OG SER A 32 20.691 -21.124 -15.297 1.00 0.00 O ATOM 0 H SER A 32 17.546 -21.291 -12.762 1.00 0.00 H new ATOM 0 HA SER A 32 20.208 -20.059 -13.176 1.00 0.00 H new ATOM 0 HB2 SER A 32 18.946 -22.060 -14.722 1.00 0.00 H new ATOM 0 HB3 SER A 32 18.731 -20.572 -15.623 1.00 0.00 H new ATOM 0 HG SER A 32 20.735 -21.628 -16.137 1.00 0.00 H new ATOM 179 N SER A 33 17.332 -18.828 -13.094 1.00 0.00 N ATOM 180 CA SER A 33 16.520 -17.629 -13.217 1.00 0.00 C ATOM 181 C SER A 33 16.892 -16.630 -12.120 1.00 0.00 C ATOM 182 O SER A 33 16.478 -16.780 -10.972 1.00 0.00 O ATOM 183 CB SER A 33 15.029 -17.964 -13.146 1.00 0.00 C ATOM 184 OG SER A 33 14.348 -17.625 -14.351 1.00 0.00 O ATOM 0 H SER A 33 16.961 -19.531 -12.454 1.00 0.00 H new ATOM 0 HA SER A 33 16.718 -17.180 -14.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.906 -19.029 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.577 -17.429 -12.311 1.00 0.00 H new ATOM 0 HG SER A 33 14.627 -18.233 -15.067 1.00 0.00 H new ATOM 190 N GLU A 34 17.670 -15.632 -12.512 1.00 0.00 N ATOM 191 CA GLU A 34 18.103 -14.608 -11.577 1.00 0.00 C ATOM 192 C GLU A 34 17.919 -13.218 -12.188 1.00 0.00 C ATOM 193 O GLU A 34 18.632 -12.845 -13.118 1.00 0.00 O ATOM 194 CB GLU A 34 19.556 -14.832 -11.152 1.00 0.00 C ATOM 195 CG GLU A 34 20.515 -14.555 -12.312 1.00 0.00 C ATOM 196 CD GLU A 34 21.724 -15.491 -12.260 1.00 0.00 C ATOM 197 OE1 GLU A 34 21.661 -16.614 -12.783 1.00 0.00 O ATOM 198 OE2 GLU A 34 22.756 -15.016 -11.650 1.00 0.00 O ATOM 0 H GLU A 34 18.012 -15.511 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 34 17.483 -14.675 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.798 -14.181 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.684 -15.858 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.992 -14.683 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.851 -13.519 -12.271 1.00 0.00 H new ATOM 206 N ILE A 35 16.958 -12.488 -11.640 1.00 0.00 N ATOM 207 CA ILE A 35 16.670 -11.147 -12.120 1.00 0.00 C ATOM 208 C ILE A 35 16.600 -10.189 -10.930 1.00 0.00 C ATOM 209 O ILE A 35 16.131 -10.560 -9.856 1.00 0.00 O ATOM 210 CB ILE A 35 15.408 -11.147 -12.985 1.00 0.00 C ATOM 211 CG1 ILE A 35 15.671 -10.482 -14.338 1.00 0.00 C ATOM 212 CG2 ILE A 35 14.236 -10.498 -12.246 1.00 0.00 C ATOM 213 CD1 ILE A 35 16.242 -9.074 -14.155 1.00 0.00 C ATOM 0 H ILE A 35 16.369 -12.800 -10.868 1.00 0.00 H new ATOM 0 HA ILE A 35 17.472 -10.793 -12.768 1.00 0.00 H new ATOM 0 HB ILE A 35 15.130 -12.182 -13.183 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.368 -11.089 -14.916 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.744 -10.431 -14.909 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.352 -10.511 -12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.031 -11.053 -11.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.489 -9.467 -11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.420 -8.624 -15.132 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.532 -8.463 -13.598 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.181 -9.131 -13.605 1.00 0.00 H new ATOM 225 N PHE A 36 17.074 -8.973 -11.162 1.00 0.00 N ATOM 226 CA PHE A 36 17.071 -7.958 -10.122 1.00 0.00 C ATOM 227 C PHE A 36 16.633 -6.603 -10.680 1.00 0.00 C ATOM 228 O PHE A 36 17.300 -6.039 -11.546 1.00 0.00 O ATOM 229 CB PHE A 36 18.506 -7.844 -9.605 1.00 0.00 C ATOM 230 CG PHE A 36 19.388 -9.047 -9.945 1.00 0.00 C ATOM 231 CD1 PHE A 36 19.031 -10.291 -9.528 1.00 0.00 C ATOM 232 CD2 PHE A 36 20.529 -8.872 -10.664 1.00 0.00 C ATOM 233 CE1 PHE A 36 19.849 -11.408 -9.843 1.00 0.00 C ATOM 234 CE2 PHE A 36 21.347 -9.989 -10.980 1.00 0.00 C ATOM 235 CZ PHE A 36 20.990 -11.233 -10.563 1.00 0.00 C ATOM 0 H PHE A 36 17.462 -8.668 -12.055 1.00 0.00 H new ATOM 0 HA PHE A 36 16.375 -8.237 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 36 18.960 -6.945 -10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 36 18.482 -7.718 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 36 18.125 -10.430 -8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 36 20.813 -7.884 -10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 36 19.566 -12.396 -9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 36 22.253 -9.850 -11.552 1.00 0.00 H new ATOM 0 HZ PHE A 36 21.612 -12.082 -10.803 1.00 0.00 H new ATOM 245 N PHE A 37 15.514 -6.118 -10.162 1.00 0.00 N ATOM 246 CA PHE A 37 14.979 -4.840 -10.597 1.00 0.00 C ATOM 247 C PHE A 37 14.238 -4.138 -9.458 1.00 0.00 C ATOM 248 O PHE A 37 13.852 -4.775 -8.478 1.00 0.00 O ATOM 249 CB PHE A 37 13.992 -5.130 -11.730 1.00 0.00 C ATOM 250 CG PHE A 37 14.635 -5.188 -13.117 1.00 0.00 C ATOM 251 CD1 PHE A 37 15.526 -4.232 -13.493 1.00 0.00 C ATOM 252 CD2 PHE A 37 14.316 -6.195 -13.973 1.00 0.00 C ATOM 253 CE1 PHE A 37 16.124 -4.286 -14.780 1.00 0.00 C ATOM 254 CE2 PHE A 37 14.913 -6.249 -15.260 1.00 0.00 C ATOM 255 CZ PHE A 37 15.804 -5.293 -15.637 1.00 0.00 C ATOM 0 H PHE A 37 14.963 -6.588 -9.444 1.00 0.00 H new ATOM 0 HA PHE A 37 15.791 -4.189 -10.921 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.496 -6.080 -11.531 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.220 -4.361 -11.731 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.779 -3.432 -12.813 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.608 -6.954 -13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 37 16.833 -3.528 -15.078 1.00 0.00 H new ATOM 0 HE2 PHE A 37 14.660 -7.049 -15.940 1.00 0.00 H new ATOM 0 HZ PHE A 37 16.257 -5.333 -16.616 1.00 0.00 H new ATOM 265 N LYS A 38 14.060 -2.836 -9.623 1.00 0.00 N ATOM 266 CA LYS A 38 13.371 -2.041 -8.620 1.00 0.00 C ATOM 267 C LYS A 38 11.907 -1.868 -9.030 1.00 0.00 C ATOM 268 O LYS A 38 11.601 -1.738 -10.214 1.00 0.00 O ATOM 269 CB LYS A 38 14.105 -0.719 -8.388 1.00 0.00 C ATOM 270 CG LYS A 38 15.567 -0.963 -8.008 1.00 0.00 C ATOM 271 CD LYS A 38 16.427 -1.184 -9.254 1.00 0.00 C ATOM 272 CE LYS A 38 17.912 -0.996 -8.936 1.00 0.00 C ATOM 273 NZ LYS A 38 18.256 0.443 -8.898 1.00 0.00 N ATOM 0 H LYS A 38 14.381 -2.311 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 38 13.375 -2.554 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.057 -0.109 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.609 -0.157 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.948 -0.110 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.637 -1.833 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.259 -2.188 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.128 -0.486 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.146 -1.457 -7.976 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.518 -1.501 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.279 0.551 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.989 0.888 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.742 0.902 -8.119 1.00 0.00 H new ATOM 286 N ILE A 39 11.041 -1.872 -8.027 1.00 0.00 N ATOM 287 CA ILE A 39 9.617 -1.717 -8.268 1.00 0.00 C ATOM 288 C ILE A 39 9.019 -0.802 -7.197 1.00 0.00 C ATOM 289 O ILE A 39 9.661 -0.522 -6.186 1.00 0.00 O ATOM 290 CB ILE A 39 8.937 -3.085 -8.357 1.00 0.00 C ATOM 291 CG1 ILE A 39 9.462 -3.882 -9.553 1.00 0.00 C ATOM 292 CG2 ILE A 39 7.414 -2.939 -8.390 1.00 0.00 C ATOM 293 CD1 ILE A 39 10.371 -5.024 -9.094 1.00 0.00 C ATOM 0 H ILE A 39 11.298 -1.980 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 39 9.444 -1.237 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 39 9.187 -3.650 -7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.624 -4.285 -10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.013 -3.221 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.955 -3.926 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.077 -2.440 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.124 -2.348 -9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.731 -5.575 -9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.220 -4.615 -8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.811 -5.697 -8.445 1.00 0.00 H new ATOM 305 N LYS A 40 7.797 -0.361 -7.456 1.00 0.00 N ATOM 306 CA LYS A 40 7.105 0.516 -6.527 1.00 0.00 C ATOM 307 C LYS A 40 6.065 -0.291 -5.748 1.00 0.00 C ATOM 308 O LYS A 40 4.876 0.021 -5.786 1.00 0.00 O ATOM 309 CB LYS A 40 6.521 1.723 -7.264 1.00 0.00 C ATOM 310 CG LYS A 40 7.579 2.395 -8.142 1.00 0.00 C ATOM 311 CD LYS A 40 8.212 3.587 -7.422 1.00 0.00 C ATOM 312 CE LYS A 40 8.056 4.869 -8.243 1.00 0.00 C ATOM 313 NZ LYS A 40 6.629 5.244 -8.351 1.00 0.00 N ATOM 0 H LYS A 40 7.268 -0.595 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 40 7.804 0.925 -5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.680 1.405 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.133 2.441 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.351 1.672 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.124 2.729 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.745 3.717 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.269 3.390 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.616 5.678 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.476 4.724 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.553 6.251 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.174 4.670 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.156 5.075 -7.441 1.00 0.00 H new ATOM 326 N LYS A 41 6.551 -1.313 -5.058 1.00 0.00 N ATOM 327 CA LYS A 41 5.679 -2.167 -4.270 1.00 0.00 C ATOM 328 C LYS A 41 6.508 -3.277 -3.623 1.00 0.00 C ATOM 329 O LYS A 41 7.331 -3.908 -4.284 1.00 0.00 O ATOM 330 CB LYS A 41 4.520 -2.683 -5.126 1.00 0.00 C ATOM 331 CG LYS A 41 3.239 -1.895 -4.848 1.00 0.00 C ATOM 332 CD LYS A 41 2.470 -1.624 -6.143 1.00 0.00 C ATOM 333 CE LYS A 41 1.750 -2.884 -6.627 1.00 0.00 C ATOM 334 NZ LYS A 41 0.571 -2.525 -7.446 1.00 0.00 N ATOM 0 H LYS A 41 7.538 -1.569 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 41 5.220 -1.600 -3.460 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.779 -2.602 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.353 -3.740 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.608 -2.452 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.487 -0.951 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.745 -0.827 -5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.159 -1.276 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.434 -3.498 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.437 -3.483 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.094 -3.392 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.088 -1.958 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.877 -1.973 -8.272 1.00 0.00 H new ATOM 347 N THR A 42 6.262 -3.483 -2.337 1.00 0.00 N ATOM 348 CA THR A 42 6.976 -4.506 -1.593 1.00 0.00 C ATOM 349 C THR A 42 6.330 -5.875 -1.815 1.00 0.00 C ATOM 350 O THR A 42 7.026 -6.866 -2.032 1.00 0.00 O ATOM 351 CB THR A 42 7.012 -4.083 -0.123 1.00 0.00 C ATOM 352 OG1 THR A 42 7.341 -5.281 0.575 1.00 0.00 O ATOM 353 CG2 THR A 42 5.629 -3.707 0.413 1.00 0.00 C ATOM 0 H THR A 42 5.578 -2.958 -1.792 1.00 0.00 H new ATOM 0 HA THR A 42 8.003 -4.605 -1.943 1.00 0.00 H new ATOM 0 HB THR A 42 7.689 -3.236 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.970 -5.809 0.040 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.712 -3.415 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.229 -2.875 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.960 -4.563 0.327 1.00 0.00 H new ATOM 361 N THR A 43 5.007 -5.887 -1.754 1.00 0.00 N ATOM 362 CA THR A 43 4.259 -7.118 -1.946 1.00 0.00 C ATOM 363 C THR A 43 5.010 -8.055 -2.895 1.00 0.00 C ATOM 364 O THR A 43 4.835 -7.984 -4.110 1.00 0.00 O ATOM 365 CB THR A 43 2.859 -6.749 -2.439 1.00 0.00 C ATOM 366 OG1 THR A 43 2.502 -7.821 -3.308 1.00 0.00 O ATOM 367 CG2 THR A 43 2.863 -5.518 -3.349 1.00 0.00 C ATOM 0 H THR A 43 4.433 -5.063 -1.574 1.00 0.00 H new ATOM 0 HA THR A 43 4.155 -7.668 -1.011 1.00 0.00 H new ATOM 0 HB THR A 43 2.211 -6.565 -1.582 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.992 -7.735 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.845 -5.300 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.262 -4.663 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.485 -5.713 -4.222 1.00 0.00 H new ATOM 375 N PRO A 44 5.851 -8.934 -2.287 1.00 0.00 N ATOM 376 CA PRO A 44 6.629 -9.884 -3.064 1.00 0.00 C ATOM 377 C PRO A 44 5.748 -11.026 -3.574 1.00 0.00 C ATOM 378 O PRO A 44 5.725 -11.310 -4.771 1.00 0.00 O ATOM 379 CB PRO A 44 7.727 -10.355 -2.125 1.00 0.00 C ATOM 380 CG PRO A 44 7.253 -10.009 -0.723 1.00 0.00 C ATOM 381 CD PRO A 44 6.084 -9.046 -0.850 1.00 0.00 C ATOM 0 HA PRO A 44 7.056 -9.442 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.895 -11.427 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.672 -9.861 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.949 -10.910 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.060 -9.555 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.201 -9.424 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.320 -8.077 -0.410 1.00 0.00 H new ATOM 389 N LEU A 45 5.046 -11.651 -2.641 1.00 0.00 N ATOM 390 CA LEU A 45 4.166 -12.756 -2.981 1.00 0.00 C ATOM 391 C LEU A 45 3.566 -12.517 -4.368 1.00 0.00 C ATOM 392 O LEU A 45 3.670 -13.370 -5.249 1.00 0.00 O ATOM 393 CB LEU A 45 3.118 -12.964 -1.886 1.00 0.00 C ATOM 394 CG LEU A 45 2.174 -11.787 -1.629 1.00 0.00 C ATOM 395 CD1 LEU A 45 1.083 -12.168 -0.626 1.00 0.00 C ATOM 396 CD2 LEU A 45 2.952 -10.546 -1.187 1.00 0.00 C ATOM 0 H LEU A 45 5.069 -11.413 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 45 4.729 -13.688 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.517 -13.836 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.635 -13.199 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 45 1.676 -11.537 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.426 -11.314 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.502 -13.002 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.543 -12.460 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.257 -9.725 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.495 -10.765 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.659 -10.263 -1.967 1.00 0.00 H new ATOM 408 N ARG A 46 2.952 -11.353 -4.519 1.00 0.00 N ATOM 409 CA ARG A 46 2.336 -10.991 -5.785 1.00 0.00 C ATOM 410 C ARG A 46 3.405 -10.567 -6.794 1.00 0.00 C ATOM 411 O ARG A 46 3.299 -10.872 -7.981 1.00 0.00 O ATOM 412 CB ARG A 46 1.335 -9.849 -5.603 1.00 0.00 C ATOM 413 CG ARG A 46 -0.102 -10.375 -5.592 1.00 0.00 C ATOM 414 CD ARG A 46 -0.827 -9.963 -4.310 1.00 0.00 C ATOM 415 NE ARG A 46 -2.263 -9.736 -4.590 1.00 0.00 N ATOM 416 CZ ARG A 46 -2.728 -8.792 -5.436 1.00 0.00 C ATOM 417 NH1 ARG A 46 -1.873 -7.979 -6.092 1.00 0.00 N ATOM 418 NH2 ARG A 46 -4.031 -8.677 -5.612 1.00 0.00 N ATOM 0 H ARG A 46 2.868 -10.648 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 46 1.807 -11.867 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.541 -9.325 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.454 -9.124 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.640 -9.990 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.096 -11.462 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.714 -10.739 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.379 -9.055 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.943 -10.329 -4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.867 -8.075 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.232 -7.268 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.670 -9.296 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.399 -7.969 -6.247 1.00 0.00 H new ATOM 431 N ARG A 47 4.411 -9.871 -6.284 1.00 0.00 N ATOM 432 CA ARG A 47 5.499 -9.403 -7.126 1.00 0.00 C ATOM 433 C ARG A 47 6.158 -10.581 -7.847 1.00 0.00 C ATOM 434 O ARG A 47 5.941 -10.782 -9.041 1.00 0.00 O ATOM 435 CB ARG A 47 6.554 -8.663 -6.302 1.00 0.00 C ATOM 436 CG ARG A 47 6.767 -7.243 -6.831 1.00 0.00 C ATOM 437 CD ARG A 47 7.286 -7.266 -8.270 1.00 0.00 C ATOM 438 NE ARG A 47 6.152 -7.206 -9.218 1.00 0.00 N ATOM 439 CZ ARG A 47 6.278 -7.328 -10.557 1.00 0.00 C ATOM 440 NH1 ARG A 47 7.492 -7.518 -11.117 1.00 0.00 N ATOM 441 NH2 ARG A 47 5.196 -7.259 -11.310 1.00 0.00 N ATOM 0 H ARG A 47 4.495 -9.620 -5.299 1.00 0.00 H new ATOM 0 HA ARG A 47 5.078 -8.714 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.243 -8.623 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.495 -9.211 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.828 -6.690 -6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.477 -6.716 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.956 -6.422 -8.437 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.866 -8.172 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 47 5.217 -7.064 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.323 -7.570 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.578 -7.609 -12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.283 -7.116 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.273 -7.349 -12.323 1.00 0.00 H new ATOM 454 N LEU A 48 6.949 -11.328 -7.091 1.00 0.00 N ATOM 455 CA LEU A 48 7.641 -12.480 -7.642 1.00 0.00 C ATOM 456 C LEU A 48 6.655 -13.319 -8.459 1.00 0.00 C ATOM 457 O LEU A 48 7.016 -13.869 -9.498 1.00 0.00 O ATOM 458 CB LEU A 48 8.343 -13.265 -6.533 1.00 0.00 C ATOM 459 CG LEU A 48 9.786 -13.685 -6.819 1.00 0.00 C ATOM 460 CD1 LEU A 48 10.750 -13.062 -5.807 1.00 0.00 C ATOM 461 CD2 LEU A 48 9.914 -15.209 -6.869 1.00 0.00 C ATOM 0 H LEU A 48 7.126 -11.158 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 48 8.430 -12.160 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.334 -12.661 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.759 -14.161 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 48 10.063 -13.306 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.769 -13.377 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.685 -11.975 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.484 -13.389 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.950 -15.481 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.611 -15.631 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.273 -15.602 -7.658 1.00 0.00 H new ATOM 473 N MET A 49 5.431 -13.389 -7.958 1.00 0.00 N ATOM 474 CA MET A 49 4.391 -14.151 -8.628 1.00 0.00 C ATOM 475 C MET A 49 4.445 -13.939 -10.142 1.00 0.00 C ATOM 476 O MET A 49 4.285 -14.885 -10.912 1.00 0.00 O ATOM 477 CB MET A 49 3.021 -13.720 -8.100 1.00 0.00 C ATOM 478 CG MET A 49 2.240 -14.919 -7.560 1.00 0.00 C ATOM 479 SD MET A 49 0.488 -14.579 -7.609 1.00 0.00 S ATOM 480 CE MET A 49 0.297 -14.187 -9.340 1.00 0.00 C ATOM 0 H MET A 49 5.136 -12.931 -7.096 1.00 0.00 H new ATOM 0 HA MET A 49 4.553 -15.209 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.148 -12.979 -7.311 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.454 -13.241 -8.898 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.463 -15.806 -8.153 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.549 -15.134 -6.537 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.693 -14.497 -9.676 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.409 -13.112 -9.484 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.057 -14.712 -9.918 1.00 0.00 H new ATOM 490 N GLU A 50 4.671 -12.690 -10.525 1.00 0.00 N ATOM 491 CA GLU A 50 4.748 -12.342 -11.933 1.00 0.00 C ATOM 492 C GLU A 50 6.208 -12.173 -12.359 1.00 0.00 C ATOM 493 O GLU A 50 6.621 -12.694 -13.394 1.00 0.00 O ATOM 494 CB GLU A 50 3.940 -11.077 -12.230 1.00 0.00 C ATOM 495 CG GLU A 50 3.022 -11.282 -13.436 1.00 0.00 C ATOM 496 CD GLU A 50 2.467 -9.947 -13.936 1.00 0.00 C ATOM 497 OE1 GLU A 50 2.860 -9.477 -15.014 1.00 0.00 O ATOM 498 OE2 GLU A 50 1.595 -9.395 -13.162 1.00 0.00 O ATOM 0 H GLU A 50 4.803 -11.907 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 50 4.313 -13.156 -12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.345 -10.808 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.618 -10.245 -12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.573 -11.774 -14.238 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.199 -11.943 -13.163 1.00 0.00 H new ATOM 506 N ALA A 51 6.949 -11.442 -11.540 1.00 0.00 N ATOM 507 CA ALA A 51 8.354 -11.197 -11.818 1.00 0.00 C ATOM 508 C ALA A 51 9.056 -12.530 -12.085 1.00 0.00 C ATOM 509 O ALA A 51 9.522 -12.780 -13.195 1.00 0.00 O ATOM 510 CB ALA A 51 8.981 -10.431 -10.652 1.00 0.00 C ATOM 0 H ALA A 51 6.603 -11.011 -10.683 1.00 0.00 H new ATOM 0 HA ALA A 51 8.466 -10.580 -12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.035 -10.248 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.466 -9.479 -10.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.890 -11.019 -9.739 1.00 0.00 H new ATOM 516 N PHE A 52 9.110 -13.352 -11.046 1.00 0.00 N ATOM 517 CA PHE A 52 9.747 -14.653 -11.154 1.00 0.00 C ATOM 518 C PHE A 52 9.153 -15.461 -12.310 1.00 0.00 C ATOM 519 O PHE A 52 9.775 -16.404 -12.797 1.00 0.00 O ATOM 520 CB PHE A 52 9.480 -15.392 -9.842 1.00 0.00 C ATOM 521 CG PHE A 52 8.718 -16.708 -10.012 1.00 0.00 C ATOM 522 CD1 PHE A 52 9.297 -17.750 -10.666 1.00 0.00 C ATOM 523 CD2 PHE A 52 7.460 -16.835 -9.510 1.00 0.00 C ATOM 524 CE1 PHE A 52 8.590 -18.971 -10.825 1.00 0.00 C ATOM 525 CE2 PHE A 52 6.753 -18.056 -9.668 1.00 0.00 C ATOM 526 CZ PHE A 52 7.332 -19.098 -10.322 1.00 0.00 C ATOM 0 H PHE A 52 8.723 -13.142 -10.126 1.00 0.00 H new ATOM 0 HA PHE A 52 10.814 -14.530 -11.342 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.432 -15.596 -9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.913 -14.739 -9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.296 -17.649 -11.065 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.999 -16.007 -8.991 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.050 -19.798 -11.345 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.755 -18.157 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.793 -20.026 -10.442 1.00 0.00 H new ATOM 536 N ALA A 53 7.958 -15.060 -12.717 1.00 0.00 N ATOM 537 CA ALA A 53 7.273 -15.734 -13.807 1.00 0.00 C ATOM 538 C ALA A 53 7.590 -15.020 -15.122 1.00 0.00 C ATOM 539 O ALA A 53 7.212 -15.489 -16.195 1.00 0.00 O ATOM 540 CB ALA A 53 5.772 -15.781 -13.516 1.00 0.00 C ATOM 0 H ALA A 53 7.446 -14.276 -12.311 1.00 0.00 H new ATOM 0 HA ALA A 53 7.619 -16.763 -13.899 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.258 -16.287 -14.334 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.598 -16.324 -12.587 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.388 -14.765 -13.419 1.00 0.00 H new ATOM 546 N LYS A 54 8.282 -13.897 -14.997 1.00 0.00 N ATOM 547 CA LYS A 54 8.655 -13.113 -16.163 1.00 0.00 C ATOM 548 C LYS A 54 10.018 -13.584 -16.674 1.00 0.00 C ATOM 549 O LYS A 54 10.313 -13.468 -17.862 1.00 0.00 O ATOM 550 CB LYS A 54 8.601 -11.618 -15.843 1.00 0.00 C ATOM 551 CG LYS A 54 7.158 -11.110 -15.839 1.00 0.00 C ATOM 552 CD LYS A 54 7.022 -9.850 -14.983 1.00 0.00 C ATOM 553 CE LYS A 54 5.903 -8.948 -15.507 1.00 0.00 C ATOM 554 NZ LYS A 54 6.454 -7.902 -16.397 1.00 0.00 N ATOM 0 H LYS A 54 8.594 -13.511 -14.106 1.00 0.00 H new ATOM 0 HA LYS A 54 7.940 -13.268 -16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.058 -11.434 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.183 -11.064 -16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.841 -10.896 -16.860 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.496 -11.887 -15.456 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.815 -10.129 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.965 -9.303 -14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.170 -9.546 -16.049 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.380 -8.484 -14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.681 -7.299 -16.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.136 -7.321 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.932 -8.350 -17.205 1.00 0.00 H new ATOM 567 N ARG A 55 10.813 -14.106 -15.751 1.00 0.00 N ATOM 568 CA ARG A 55 12.137 -14.594 -16.093 1.00 0.00 C ATOM 569 C ARG A 55 12.124 -16.119 -16.223 1.00 0.00 C ATOM 570 O ARG A 55 12.419 -16.657 -17.289 1.00 0.00 O ATOM 571 CB ARG A 55 13.165 -14.189 -15.035 1.00 0.00 C ATOM 572 CG ARG A 55 14.236 -13.274 -15.632 1.00 0.00 C ATOM 573 CD ARG A 55 15.573 -14.006 -15.761 1.00 0.00 C ATOM 574 NE ARG A 55 15.943 -14.135 -17.188 1.00 0.00 N ATOM 575 CZ ARG A 55 16.924 -14.943 -17.645 1.00 0.00 C ATOM 576 NH1 ARG A 55 17.642 -15.701 -16.790 1.00 0.00 N ATOM 577 NH2 ARG A 55 17.170 -14.979 -18.942 1.00 0.00 N ATOM 0 H ARG A 55 10.565 -14.201 -14.766 1.00 0.00 H new ATOM 0 HA ARG A 55 12.418 -14.146 -17.046 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.664 -13.679 -14.212 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.634 -15.081 -14.619 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.914 -12.923 -16.612 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.359 -12.393 -15.002 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.349 -13.461 -15.223 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.502 -14.993 -15.304 1.00 0.00 H new ATOM 0 HE ARG A 55 15.425 -13.579 -17.869 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.446 -15.667 -15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.381 -16.308 -17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.623 -14.402 -19.581 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.907 -15.583 -19.305 1.00 0.00 H new ATOM 590 N GLN A 56 11.777 -16.771 -15.124 1.00 0.00 N ATOM 591 CA GLN A 56 11.721 -18.223 -15.101 1.00 0.00 C ATOM 592 C GLN A 56 10.407 -18.713 -15.714 1.00 0.00 C ATOM 593 O GLN A 56 10.401 -19.651 -16.510 1.00 0.00 O ATOM 594 CB GLN A 56 11.895 -18.757 -13.678 1.00 0.00 C ATOM 595 CG GLN A 56 12.412 -20.197 -13.692 1.00 0.00 C ATOM 596 CD GLN A 56 11.563 -21.075 -14.613 1.00 0.00 C ATOM 597 OE1 GLN A 56 10.343 -21.060 -14.576 1.00 0.00 O ATOM 598 NE2 GLN A 56 12.273 -21.839 -15.438 1.00 0.00 N ATOM 0 H GLN A 56 11.532 -16.321 -14.242 1.00 0.00 H new ATOM 0 HA GLN A 56 12.546 -18.608 -15.701 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.591 -18.122 -13.130 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.942 -18.714 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.450 -20.211 -14.025 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.396 -20.603 -12.680 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.292 -21.803 -15.417 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.798 -22.461 -16.092 1.00 0.00 H new ATOM 607 N GLY A 57 9.326 -18.057 -15.318 1.00 0.00 N ATOM 608 CA GLY A 57 8.010 -18.414 -15.818 1.00 0.00 C ATOM 609 C GLY A 57 8.050 -18.689 -17.323 1.00 0.00 C ATOM 610 O GLY A 57 7.227 -19.441 -17.843 1.00 0.00 O ATOM 0 H GLY A 57 9.335 -17.280 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.645 -19.297 -15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.307 -17.607 -15.611 1.00 0.00 H new ATOM 614 N LYS A 58 9.016 -18.064 -17.980 1.00 0.00 N ATOM 615 CA LYS A 58 9.175 -18.232 -19.415 1.00 0.00 C ATOM 616 C LYS A 58 9.262 -19.724 -19.743 1.00 0.00 C ATOM 617 O LYS A 58 8.595 -20.201 -20.659 1.00 0.00 O ATOM 618 CB LYS A 58 10.370 -17.421 -19.920 1.00 0.00 C ATOM 619 CG LYS A 58 9.909 -16.251 -20.792 1.00 0.00 C ATOM 620 CD LYS A 58 9.714 -16.692 -22.244 1.00 0.00 C ATOM 621 CE LYS A 58 9.994 -15.539 -23.209 1.00 0.00 C ATOM 622 NZ LYS A 58 10.196 -16.051 -24.583 1.00 0.00 N ATOM 0 H LYS A 58 9.696 -17.441 -17.545 1.00 0.00 H new ATOM 0 HA LYS A 58 8.306 -17.839 -19.943 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.943 -17.044 -19.073 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.036 -18.066 -20.493 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.974 -15.848 -20.402 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.645 -15.448 -20.748 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.378 -17.527 -22.467 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.694 -17.050 -22.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.162 -14.835 -23.195 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.879 -14.992 -22.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.385 -15.255 -25.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.005 -16.705 -24.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.340 -16.553 -24.896 1.00 0.00 H new ATOM 635 N GLU A 59 10.089 -20.419 -18.976 1.00 0.00 N ATOM 636 CA GLU A 59 10.272 -21.847 -19.173 1.00 0.00 C ATOM 637 C GLU A 59 9.178 -22.628 -18.442 1.00 0.00 C ATOM 638 O GLU A 59 8.993 -23.819 -18.685 1.00 0.00 O ATOM 639 CB GLU A 59 11.662 -22.290 -18.715 1.00 0.00 C ATOM 640 CG GLU A 59 12.644 -22.315 -19.887 1.00 0.00 C ATOM 641 CD GLU A 59 13.721 -23.382 -19.679 1.00 0.00 C ATOM 642 OE1 GLU A 59 14.016 -23.750 -18.532 1.00 0.00 O ATOM 643 OE2 GLU A 59 14.257 -23.834 -20.762 1.00 0.00 O ATOM 0 H GLU A 59 10.640 -20.019 -18.216 1.00 0.00 H new ATOM 0 HA GLU A 59 10.192 -22.060 -20.239 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.028 -21.612 -17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.602 -23.281 -18.265 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.105 -22.513 -20.813 1.00 0.00 H new ATOM 0 HG3 GLU A 59 13.112 -21.337 -19.994 1.00 0.00 H new ATOM 651 N MET A 60 8.481 -21.924 -17.562 1.00 0.00 N ATOM 652 CA MET A 60 7.410 -22.537 -16.794 1.00 0.00 C ATOM 653 C MET A 60 7.781 -23.961 -16.375 1.00 0.00 C ATOM 654 O MET A 60 6.908 -24.813 -16.217 1.00 0.00 O ATOM 655 CB MET A 60 6.132 -22.568 -17.635 1.00 0.00 C ATOM 656 CG MET A 60 5.110 -21.554 -17.117 1.00 0.00 C ATOM 657 SD MET A 60 4.184 -20.870 -18.480 1.00 0.00 S ATOM 658 CE MET A 60 4.190 -19.144 -18.025 1.00 0.00 C ATOM 0 H MET A 60 8.637 -20.936 -17.364 1.00 0.00 H new ATOM 0 HA MET A 60 7.249 -21.944 -15.894 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.372 -22.349 -18.675 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.701 -23.569 -17.611 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.433 -22.036 -16.412 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.619 -20.756 -16.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.209 -18.712 -18.224 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.420 -19.048 -16.964 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.944 -18.616 -18.609 1.00 0.00 H new ATOM 668 N ASP A 61 9.078 -24.175 -16.208 1.00 0.00 N ATOM 669 CA ASP A 61 9.575 -25.482 -15.810 1.00 0.00 C ATOM 670 C ASP A 61 9.799 -25.499 -14.297 1.00 0.00 C ATOM 671 O ASP A 61 9.970 -26.562 -13.703 1.00 0.00 O ATOM 672 CB ASP A 61 10.910 -25.792 -16.489 1.00 0.00 C ATOM 673 CG ASP A 61 10.908 -27.034 -17.383 1.00 0.00 C ATOM 674 OD1 ASP A 61 11.048 -28.168 -16.902 1.00 0.00 O ATOM 675 OD2 ASP A 61 10.751 -26.799 -18.642 1.00 0.00 O ATOM 0 H ASP A 61 9.799 -23.466 -16.341 1.00 0.00 H new ATOM 0 HA ASP A 61 8.837 -26.228 -16.106 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.204 -24.931 -17.090 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.671 -25.918 -15.719 1.00 0.00 H new ATOM 681 N SER A 62 9.790 -24.308 -13.716 1.00 0.00 N ATOM 682 CA SER A 62 9.990 -24.172 -12.283 1.00 0.00 C ATOM 683 C SER A 62 8.680 -23.761 -11.609 1.00 0.00 C ATOM 684 O SER A 62 8.145 -22.688 -11.885 1.00 0.00 O ATOM 685 CB SER A 62 11.088 -23.153 -11.974 1.00 0.00 C ATOM 686 OG SER A 62 10.574 -21.829 -11.870 1.00 0.00 O ATOM 0 H SER A 62 9.647 -23.428 -14.212 1.00 0.00 H new ATOM 0 HA SER A 62 10.307 -25.138 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.582 -23.424 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.845 -23.187 -12.757 1.00 0.00 H new ATOM 0 HG SER A 62 9.641 -21.816 -12.169 1.00 0.00 H new ATOM 692 N LEU A 63 8.200 -24.636 -10.737 1.00 0.00 N ATOM 693 CA LEU A 63 6.963 -24.378 -10.021 1.00 0.00 C ATOM 694 C LEU A 63 7.185 -24.613 -8.525 1.00 0.00 C ATOM 695 O LEU A 63 6.314 -25.147 -7.841 1.00 0.00 O ATOM 696 CB LEU A 63 5.819 -25.207 -10.610 1.00 0.00 C ATOM 697 CG LEU A 63 6.143 -25.983 -11.888 1.00 0.00 C ATOM 698 CD1 LEU A 63 5.116 -27.090 -12.132 1.00 0.00 C ATOM 699 CD2 LEU A 63 6.265 -25.040 -13.086 1.00 0.00 C ATOM 0 H LEU A 63 8.646 -25.525 -10.510 1.00 0.00 H new ATOM 0 HA LEU A 63 6.665 -23.336 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.483 -25.916 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.982 -24.540 -10.816 1.00 0.00 H new ATOM 0 HG LEU A 63 7.112 -26.465 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.369 -27.626 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.122 -27.784 -11.291 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.124 -26.650 -12.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.496 -25.617 -13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.324 -24.509 -13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.063 -24.320 -12.903 1.00 0.00 H new ATOM 711 N ARG A 64 8.357 -24.202 -8.063 1.00 0.00 N ATOM 712 CA ARG A 64 8.705 -24.361 -6.661 1.00 0.00 C ATOM 713 C ARG A 64 8.983 -22.997 -6.025 1.00 0.00 C ATOM 714 O ARG A 64 10.065 -22.438 -6.195 1.00 0.00 O ATOM 715 CB ARG A 64 9.937 -25.253 -6.497 1.00 0.00 C ATOM 716 CG ARG A 64 9.908 -25.988 -5.156 1.00 0.00 C ATOM 717 CD ARG A 64 11.164 -26.842 -4.971 1.00 0.00 C ATOM 718 NE ARG A 64 10.913 -27.900 -3.966 1.00 0.00 N ATOM 719 CZ ARG A 64 11.876 -28.686 -3.439 1.00 0.00 C ATOM 720 NH1 ARG A 64 13.163 -28.540 -3.817 1.00 0.00 N ATOM 721 NH2 ARG A 64 11.538 -29.600 -2.549 1.00 0.00 N ATOM 0 H ARG A 64 9.077 -23.760 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 64 7.859 -24.833 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.977 -25.976 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.841 -24.647 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.832 -25.266 -4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.022 -26.621 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.451 -27.292 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.996 -26.215 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 64 9.953 -28.044 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.415 -27.831 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.884 -29.138 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.562 -29.704 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.252 -30.203 -2.140 1.00 0.00 H new ATOM 734 N PHE A 65 7.987 -22.501 -5.306 1.00 0.00 N ATOM 735 CA PHE A 65 8.110 -21.214 -4.644 1.00 0.00 C ATOM 736 C PHE A 65 8.482 -21.388 -3.171 1.00 0.00 C ATOM 737 O PHE A 65 7.680 -21.881 -2.379 1.00 0.00 O ATOM 738 CB PHE A 65 6.744 -20.531 -4.736 1.00 0.00 C ATOM 739 CG PHE A 65 5.651 -21.212 -3.909 1.00 0.00 C ATOM 740 CD1 PHE A 65 4.937 -22.240 -4.442 1.00 0.00 C ATOM 741 CD2 PHE A 65 5.394 -20.790 -2.642 1.00 0.00 C ATOM 742 CE1 PHE A 65 3.923 -22.872 -3.675 1.00 0.00 C ATOM 743 CE2 PHE A 65 4.380 -21.422 -1.875 1.00 0.00 C ATOM 744 CZ PHE A 65 3.666 -22.450 -2.408 1.00 0.00 C ATOM 0 H PHE A 65 7.091 -22.968 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 65 8.893 -20.624 -5.121 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.843 -19.497 -4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.432 -20.504 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.141 -22.575 -5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.961 -19.974 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.356 -23.688 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.176 -21.087 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 65 2.895 -22.931 -1.825 1.00 0.00 H new ATOM 754 N LEU A 66 9.699 -20.975 -2.847 1.00 0.00 N ATOM 755 CA LEU A 66 10.187 -21.079 -1.483 1.00 0.00 C ATOM 756 C LEU A 66 11.359 -20.115 -1.290 1.00 0.00 C ATOM 757 O LEU A 66 11.939 -19.635 -2.262 1.00 0.00 O ATOM 758 CB LEU A 66 10.524 -22.533 -1.144 1.00 0.00 C ATOM 759 CG LEU A 66 11.949 -22.984 -1.470 1.00 0.00 C ATOM 760 CD1 LEU A 66 12.942 -22.452 -0.435 1.00 0.00 C ATOM 761 CD2 LEU A 66 12.025 -24.506 -1.607 1.00 0.00 C ATOM 0 H LEU A 66 10.362 -20.567 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 66 9.411 -20.783 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.350 -22.687 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.828 -23.180 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 66 12.229 -22.560 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.948 -22.787 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.913 -21.362 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.674 -22.827 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.049 -24.800 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.717 -24.971 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.363 -24.833 -2.409 1.00 0.00 H new ATOM 773 N TYR A 67 11.672 -19.860 -0.028 1.00 0.00 N ATOM 774 CA TYR A 67 12.764 -18.961 0.305 1.00 0.00 C ATOM 775 C TYR A 67 13.951 -19.733 0.886 1.00 0.00 C ATOM 776 O TYR A 67 15.097 -19.488 0.513 1.00 0.00 O ATOM 777 CB TYR A 67 12.217 -18.011 1.372 1.00 0.00 C ATOM 778 CG TYR A 67 13.289 -17.155 2.051 1.00 0.00 C ATOM 779 CD1 TYR A 67 14.217 -17.744 2.885 1.00 0.00 C ATOM 780 CD2 TYR A 67 13.327 -15.793 1.828 1.00 0.00 C ATOM 781 CE1 TYR A 67 15.225 -16.938 3.523 1.00 0.00 C ATOM 782 CE2 TYR A 67 14.336 -14.987 2.467 1.00 0.00 C ATOM 783 CZ TYR A 67 15.235 -15.600 3.283 1.00 0.00 C ATOM 784 OH TYR A 67 16.187 -14.839 3.886 1.00 0.00 O ATOM 0 H TYR A 67 11.189 -20.260 0.776 1.00 0.00 H new ATOM 0 HA TYR A 67 13.113 -18.435 -0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 67 11.478 -17.354 0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 67 11.697 -18.595 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.187 -18.809 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.601 -15.332 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.957 -17.387 4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.377 -13.921 2.302 1.00 0.00 H new ATOM 0 HH TYR A 67 16.073 -13.902 3.622 1.00 0.00 H new ATOM 794 N ASP A 68 13.635 -20.649 1.790 1.00 0.00 N ATOM 795 CA ASP A 68 14.661 -21.458 2.426 1.00 0.00 C ATOM 796 C ASP A 68 14.591 -22.885 1.879 1.00 0.00 C ATOM 797 O ASP A 68 15.410 -23.276 1.048 1.00 0.00 O ATOM 798 CB ASP A 68 14.452 -21.521 3.940 1.00 0.00 C ATOM 799 CG ASP A 68 15.415 -20.661 4.762 1.00 0.00 C ATOM 800 OD1 ASP A 68 14.990 -19.815 5.563 1.00 0.00 O ATOM 801 OD2 ASP A 68 16.667 -20.890 4.550 1.00 0.00 O ATOM 0 H ASP A 68 12.683 -20.849 2.097 1.00 0.00 H new ATOM 0 HA ASP A 68 15.629 -21.003 2.214 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.431 -21.212 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.549 -22.558 4.262 1.00 0.00 H new ATOM 807 N GLY A 69 13.605 -23.624 2.367 1.00 0.00 N ATOM 808 CA GLY A 69 13.418 -24.999 1.937 1.00 0.00 C ATOM 809 C GLY A 69 12.156 -25.601 2.559 1.00 0.00 C ATOM 810 O GLY A 69 12.135 -26.779 2.913 1.00 0.00 O ATOM 0 H GLY A 69 12.928 -23.296 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.346 -25.037 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.287 -25.594 2.220 1.00 0.00 H new ATOM 814 N ILE A 70 11.135 -24.764 2.674 1.00 0.00 N ATOM 815 CA ILE A 70 9.872 -25.198 3.247 1.00 0.00 C ATOM 816 C ILE A 70 8.731 -24.387 2.631 1.00 0.00 C ATOM 817 O ILE A 70 7.741 -24.094 3.299 1.00 0.00 O ATOM 818 CB ILE A 70 9.924 -25.125 4.774 1.00 0.00 C ATOM 819 CG1 ILE A 70 9.905 -23.673 5.255 1.00 0.00 C ATOM 820 CG2 ILE A 70 11.129 -25.894 5.320 1.00 0.00 C ATOM 821 CD1 ILE A 70 11.321 -23.175 5.551 1.00 0.00 C ATOM 0 H ILE A 70 11.157 -23.788 2.380 1.00 0.00 H new ATOM 0 HA ILE A 70 9.685 -26.245 3.007 1.00 0.00 H new ATOM 0 HB ILE A 70 9.029 -25.607 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.445 -23.041 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.292 -23.591 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.142 -25.826 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.058 -26.940 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.047 -25.465 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.279 -22.140 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.770 -23.794 6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.925 -23.235 4.645 1.00 0.00 H new ATOM 833 N ARG A 71 8.908 -24.046 1.362 1.00 0.00 N ATOM 834 CA ARG A 71 7.905 -23.274 0.648 1.00 0.00 C ATOM 835 C ARG A 71 7.557 -22.005 1.429 1.00 0.00 C ATOM 836 O ARG A 71 6.398 -21.783 1.775 1.00 0.00 O ATOM 837 CB ARG A 71 6.632 -24.094 0.428 1.00 0.00 C ATOM 838 CG ARG A 71 6.894 -25.271 -0.514 1.00 0.00 C ATOM 839 CD ARG A 71 5.806 -26.337 -0.375 1.00 0.00 C ATOM 840 NE ARG A 71 6.383 -27.579 0.187 1.00 0.00 N ATOM 841 CZ ARG A 71 7.217 -28.399 -0.488 1.00 0.00 C ATOM 842 NH1 ARG A 71 7.578 -28.115 -1.757 1.00 0.00 N ATOM 843 NH2 ARG A 71 7.673 -29.483 0.112 1.00 0.00 N ATOM 0 H ARG A 71 9.731 -24.290 0.811 1.00 0.00 H new ATOM 0 HA ARG A 71 8.323 -23.005 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.264 -24.464 1.385 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.852 -23.457 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.931 -24.916 -1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.867 -25.709 -0.293 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.008 -25.972 0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.359 -26.542 -1.348 1.00 0.00 H new ATOM 0 HE ARG A 71 6.135 -27.831 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.220 -27.276 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.208 -28.740 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.394 -29.690 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.304 -30.113 -0.384 1.00 0.00 H new ATOM 856 N ILE A 72 8.583 -21.206 1.684 1.00 0.00 N ATOM 857 CA ILE A 72 8.400 -19.965 2.418 1.00 0.00 C ATOM 858 C ILE A 72 8.808 -18.788 1.529 1.00 0.00 C ATOM 859 O ILE A 72 9.413 -18.981 0.476 1.00 0.00 O ATOM 860 CB ILE A 72 9.147 -20.016 3.752 1.00 0.00 C ATOM 861 CG1 ILE A 72 10.572 -20.539 3.563 1.00 0.00 C ATOM 862 CG2 ILE A 72 8.369 -20.833 4.785 1.00 0.00 C ATOM 863 CD1 ILE A 72 11.575 -19.697 4.354 1.00 0.00 C ATOM 0 H ILE A 72 9.543 -21.394 1.396 1.00 0.00 H new ATOM 0 HA ILE A 72 7.350 -19.824 2.673 1.00 0.00 H new ATOM 0 HB ILE A 72 9.226 -19.000 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.628 -21.578 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.832 -20.522 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.922 -20.853 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.392 -20.377 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.237 -21.851 4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.580 -20.090 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.534 -18.664 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.327 -19.736 5.415 1.00 0.00 H new ATOM 875 N GLN A 73 8.460 -17.594 1.987 1.00 0.00 N ATOM 876 CA GLN A 73 8.783 -16.386 1.248 1.00 0.00 C ATOM 877 C GLN A 73 9.353 -15.323 2.189 1.00 0.00 C ATOM 878 O GLN A 73 9.467 -15.551 3.392 1.00 0.00 O ATOM 879 CB GLN A 73 7.557 -15.856 0.502 1.00 0.00 C ATOM 880 CG GLN A 73 7.322 -16.638 -0.793 1.00 0.00 C ATOM 881 CD GLN A 73 5.963 -17.339 -0.771 1.00 0.00 C ATOM 882 OE1 GLN A 73 5.080 -17.063 -1.566 1.00 0.00 O ATOM 883 NE2 GLN A 73 5.845 -18.261 0.181 1.00 0.00 N ATOM 0 H GLN A 73 7.958 -17.438 2.861 1.00 0.00 H new ATOM 0 HA GLN A 73 9.543 -16.631 0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.677 -15.931 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.695 -14.799 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.372 -15.960 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.114 -17.376 -0.925 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.624 -18.443 0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.976 -18.786 0.278 1.00 0.00 H new ATOM 892 N ALA A 74 9.696 -14.184 1.606 1.00 0.00 N ATOM 893 CA ALA A 74 10.252 -13.085 2.377 1.00 0.00 C ATOM 894 C ALA A 74 9.113 -12.298 3.029 1.00 0.00 C ATOM 895 O ALA A 74 8.695 -12.612 4.143 1.00 0.00 O ATOM 896 CB ALA A 74 11.120 -12.211 1.470 1.00 0.00 C ATOM 0 H ALA A 74 9.600 -13.998 0.608 1.00 0.00 H new ATOM 0 HA ALA A 74 10.892 -13.462 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.537 -11.387 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.931 -12.810 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.512 -11.813 0.658 1.00 0.00 H new ATOM 902 N ASP A 75 8.644 -11.291 2.307 1.00 0.00 N ATOM 903 CA ASP A 75 7.561 -10.457 2.801 1.00 0.00 C ATOM 904 C ASP A 75 6.251 -10.883 2.136 1.00 0.00 C ATOM 905 O ASP A 75 5.460 -10.038 1.719 1.00 0.00 O ATOM 906 CB ASP A 75 7.805 -8.984 2.467 1.00 0.00 C ATOM 907 CG ASP A 75 9.276 -8.583 2.345 1.00 0.00 C ATOM 908 OD1 ASP A 75 10.151 -9.154 3.013 1.00 0.00 O ATOM 909 OD2 ASP A 75 9.514 -7.628 1.512 1.00 0.00 O ATOM 0 H ASP A 75 8.994 -11.034 1.384 1.00 0.00 H new ATOM 0 HA ASP A 75 7.508 -10.577 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.302 -8.752 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.340 -8.370 3.238 1.00 0.00 H new ATOM 915 N GLN A 76 6.062 -12.192 2.059 1.00 0.00 N ATOM 916 CA GLN A 76 4.860 -12.739 1.452 1.00 0.00 C ATOM 917 C GLN A 76 3.633 -12.389 2.294 1.00 0.00 C ATOM 918 O GLN A 76 2.501 -12.636 1.881 1.00 0.00 O ATOM 919 CB GLN A 76 4.983 -14.253 1.263 1.00 0.00 C ATOM 920 CG GLN A 76 3.603 -14.904 1.150 1.00 0.00 C ATOM 921 CD GLN A 76 2.973 -15.099 2.531 1.00 0.00 C ATOM 922 OE1 GLN A 76 3.642 -15.105 3.551 1.00 0.00 O ATOM 923 NE2 GLN A 76 1.653 -15.258 2.506 1.00 0.00 N ATOM 0 H GLN A 76 6.720 -12.889 2.406 1.00 0.00 H new ATOM 0 HA GLN A 76 4.738 -12.291 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.564 -14.465 0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.526 -14.685 2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.953 -14.282 0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.692 -15.867 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.154 -15.242 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.139 -15.396 3.376 1.00 0.00 H new ATOM 932 N THR A 77 3.898 -11.819 3.461 1.00 0.00 N ATOM 933 CA THR A 77 2.829 -11.432 4.365 1.00 0.00 C ATOM 934 C THR A 77 2.491 -9.950 4.189 1.00 0.00 C ATOM 935 O THR A 77 3.364 -9.145 3.870 1.00 0.00 O ATOM 936 CB THR A 77 3.260 -11.792 5.788 1.00 0.00 C ATOM 937 OG1 THR A 77 4.041 -12.973 5.626 1.00 0.00 O ATOM 938 CG2 THR A 77 2.085 -12.240 6.661 1.00 0.00 C ATOM 0 H THR A 77 4.838 -11.616 3.801 1.00 0.00 H new ATOM 0 HA THR A 77 1.908 -11.971 4.142 1.00 0.00 H new ATOM 0 HB THR A 77 3.747 -10.932 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.611 -13.563 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.446 -12.484 7.660 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.353 -11.435 6.726 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.618 -13.121 6.219 1.00 0.00 H new ATOM 946 N PRO A 78 1.188 -9.628 4.410 1.00 0.00 N ATOM 947 CA PRO A 78 0.725 -8.257 4.279 1.00 0.00 C ATOM 948 C PRO A 78 1.173 -7.410 5.472 1.00 0.00 C ATOM 949 O PRO A 78 1.120 -6.182 5.421 1.00 0.00 O ATOM 950 CB PRO A 78 -0.787 -8.363 4.161 1.00 0.00 C ATOM 951 CG PRO A 78 -1.152 -9.739 4.694 1.00 0.00 C ATOM 952 CD PRO A 78 0.127 -10.555 4.789 1.00 0.00 C ATOM 0 HA PRO A 78 1.146 -7.752 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.279 -7.579 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.107 -8.248 3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.626 -9.656 5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.868 -10.227 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.278 -10.938 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.097 -11.417 4.122 1.00 0.00 H new ATOM 960 N GLU A 79 1.605 -8.100 6.517 1.00 0.00 N ATOM 961 CA GLU A 79 2.063 -7.426 7.721 1.00 0.00 C ATOM 962 C GLU A 79 3.590 -7.336 7.731 1.00 0.00 C ATOM 963 O GLU A 79 4.170 -6.654 8.575 1.00 0.00 O ATOM 964 CB GLU A 79 1.547 -8.135 8.975 1.00 0.00 C ATOM 965 CG GLU A 79 0.167 -7.608 9.374 1.00 0.00 C ATOM 966 CD GLU A 79 -0.336 -8.296 10.645 1.00 0.00 C ATOM 967 OE1 GLU A 79 -0.336 -7.683 11.723 1.00 0.00 O ATOM 968 OE2 GLU A 79 -0.737 -9.511 10.485 1.00 0.00 O ATOM 0 H GLU A 79 1.648 -9.118 6.555 1.00 0.00 H new ATOM 0 HA GLU A 79 1.659 -6.413 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.492 -9.208 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.248 -7.986 9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.218 -6.531 9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.539 -7.776 8.561 1.00 0.00 H new ATOM 976 N ASP A 80 4.198 -8.033 6.783 1.00 0.00 N ATOM 977 CA ASP A 80 5.647 -8.040 6.671 1.00 0.00 C ATOM 978 C ASP A 80 6.078 -7.023 5.613 1.00 0.00 C ATOM 979 O ASP A 80 7.139 -6.412 5.730 1.00 0.00 O ATOM 980 CB ASP A 80 6.159 -9.416 6.241 1.00 0.00 C ATOM 981 CG ASP A 80 7.636 -9.679 6.542 1.00 0.00 C ATOM 982 OD1 ASP A 80 8.483 -9.677 5.635 1.00 0.00 O ATOM 983 OD2 ASP A 80 7.910 -9.896 7.784 1.00 0.00 O ATOM 0 H ASP A 80 3.714 -8.597 6.085 1.00 0.00 H new ATOM 0 HA ASP A 80 6.062 -7.790 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.561 -10.181 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.996 -9.529 5.169 1.00 0.00 H new ATOM 989 N LEU A 81 5.232 -6.872 4.604 1.00 0.00 N ATOM 990 CA LEU A 81 5.512 -5.939 3.526 1.00 0.00 C ATOM 991 C LEU A 81 5.281 -4.510 4.021 1.00 0.00 C ATOM 992 O LEU A 81 6.005 -3.592 3.638 1.00 0.00 O ATOM 993 CB LEU A 81 4.698 -6.298 2.282 1.00 0.00 C ATOM 994 CG LEU A 81 3.206 -5.963 2.336 1.00 0.00 C ATOM 995 CD1 LEU A 81 2.936 -4.572 1.758 1.00 0.00 C ATOM 996 CD2 LEU A 81 2.375 -7.043 1.642 1.00 0.00 C ATOM 0 H LEU A 81 4.353 -7.380 4.511 1.00 0.00 H new ATOM 0 HA LEU A 81 6.557 -6.007 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.135 -5.784 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.803 -7.367 2.099 1.00 0.00 H new ATOM 0 HG LEU A 81 2.898 -5.943 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.868 -4.358 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.483 -3.826 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.264 -4.540 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.319 -6.780 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.678 -7.120 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.536 -8.000 2.138 1.00 0.00 H new ATOM 1008 N ASP A 82 4.270 -4.367 4.864 1.00 0.00 N ATOM 1009 CA ASP A 82 3.934 -3.065 5.416 1.00 0.00 C ATOM 1010 C ASP A 82 5.028 -2.633 6.395 1.00 0.00 C ATOM 1011 O ASP A 82 5.178 -1.446 6.679 1.00 0.00 O ATOM 1012 CB ASP A 82 2.609 -3.115 6.179 1.00 0.00 C ATOM 1013 CG ASP A 82 1.692 -1.909 5.962 1.00 0.00 C ATOM 1014 OD1 ASP A 82 1.032 -1.789 4.919 1.00 0.00 O ATOM 1015 OD2 ASP A 82 1.671 -1.059 6.932 1.00 0.00 O ATOM 0 H ASP A 82 3.672 -5.131 5.179 1.00 0.00 H new ATOM 0 HA ASP A 82 3.847 -2.361 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.072 -4.018 5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.823 -3.202 7.244 1.00 0.00 H new ATOM 1021 N MET A 83 5.763 -3.621 6.884 1.00 0.00 N ATOM 1022 CA MET A 83 6.838 -3.358 7.825 1.00 0.00 C ATOM 1023 C MET A 83 8.198 -3.381 7.124 1.00 0.00 C ATOM 1024 O MET A 83 8.760 -2.332 6.815 1.00 0.00 O ATOM 1025 CB MET A 83 6.816 -4.412 8.933 1.00 0.00 C ATOM 1026 CG MET A 83 6.432 -3.788 10.276 1.00 0.00 C ATOM 1027 SD MET A 83 4.880 -4.466 10.842 1.00 0.00 S ATOM 1028 CE MET A 83 3.781 -3.800 9.604 1.00 0.00 C ATOM 0 H MET A 83 5.635 -4.605 6.646 1.00 0.00 H new ATOM 0 HA MET A 83 6.688 -2.367 8.252 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.106 -5.199 8.677 1.00 0.00 H new ATOM 0 HB3 MET A 83 7.797 -4.881 9.013 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.212 -3.980 11.012 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.350 -2.706 10.174 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.747 -3.960 9.911 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.964 -2.731 9.492 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.959 -4.301 8.652 1.00 0.00 H new ATOM 1038 N GLU A 84 8.689 -4.591 6.895 1.00 0.00 N ATOM 1039 CA GLU A 84 9.973 -4.765 6.237 1.00 0.00 C ATOM 1040 C GLU A 84 9.948 -4.123 4.848 1.00 0.00 C ATOM 1041 O GLU A 84 8.882 -3.799 4.329 1.00 0.00 O ATOM 1042 CB GLU A 84 10.348 -6.246 6.150 1.00 0.00 C ATOM 1043 CG GLU A 84 11.865 -6.432 6.225 1.00 0.00 C ATOM 1044 CD GLU A 84 12.441 -5.747 7.466 1.00 0.00 C ATOM 1045 OE1 GLU A 84 12.015 -6.043 8.592 1.00 0.00 O ATOM 1046 OE2 GLU A 84 13.365 -4.879 7.229 1.00 0.00 O ATOM 0 H GLU A 84 8.221 -5.460 7.153 1.00 0.00 H new ATOM 0 HA GLU A 84 10.736 -4.265 6.833 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.870 -6.794 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.972 -6.666 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.104 -7.495 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.330 -6.020 5.329 1.00 0.00 H new ATOM 1054 N ASP A 85 11.137 -3.960 4.286 1.00 0.00 N ATOM 1055 CA ASP A 85 11.266 -3.363 2.967 1.00 0.00 C ATOM 1056 C ASP A 85 12.393 -4.061 2.204 1.00 0.00 C ATOM 1057 O ASP A 85 13.521 -3.571 2.171 1.00 0.00 O ATOM 1058 CB ASP A 85 11.612 -1.876 3.067 1.00 0.00 C ATOM 1059 CG ASP A 85 12.574 -1.511 4.200 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.637 -2.198 5.230 1.00 0.00 O ATOM 1061 OD2 ASP A 85 13.288 -0.457 3.991 1.00 0.00 O ATOM 0 H ASP A 85 12.020 -4.231 4.720 1.00 0.00 H new ATOM 0 HA ASP A 85 10.313 -3.477 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.050 -1.556 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.689 -1.312 3.198 1.00 0.00 H new ATOM 1067 N ASN A 86 12.049 -5.194 1.609 1.00 0.00 N ATOM 1068 CA ASN A 86 13.018 -5.964 0.848 1.00 0.00 C ATOM 1069 C ASN A 86 12.321 -7.169 0.214 1.00 0.00 C ATOM 1070 O ASN A 86 12.080 -8.173 0.882 1.00 0.00 O ATOM 1071 CB ASN A 86 14.138 -6.486 1.751 1.00 0.00 C ATOM 1072 CG ASN A 86 15.496 -5.933 1.316 1.00 0.00 C ATOM 1073 OD1 ASN A 86 15.626 -5.254 0.310 1.00 0.00 O ATOM 1074 ND2 ASN A 86 16.498 -6.260 2.127 1.00 0.00 N ATOM 0 H ASN A 86 11.113 -5.597 1.639 1.00 0.00 H new ATOM 0 HA ASN A 86 13.444 -5.311 0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.939 -6.201 2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.158 -7.575 1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.445 -5.939 1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.320 -6.832 2.953 1.00 0.00 H new ATOM 1081 N ASP A 87 12.017 -7.029 -1.068 1.00 0.00 N ATOM 1082 CA ASP A 87 11.352 -8.094 -1.799 1.00 0.00 C ATOM 1083 C ASP A 87 12.404 -9.028 -2.401 1.00 0.00 C ATOM 1084 O ASP A 87 13.176 -8.621 -3.268 1.00 0.00 O ATOM 1085 CB ASP A 87 10.508 -7.532 -2.945 1.00 0.00 C ATOM 1086 CG ASP A 87 9.491 -6.464 -2.536 1.00 0.00 C ATOM 1087 OD1 ASP A 87 9.194 -6.289 -1.345 1.00 0.00 O ATOM 1088 OD2 ASP A 87 8.990 -5.786 -3.512 1.00 0.00 O ATOM 0 H ASP A 87 12.219 -6.195 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 87 10.705 -8.628 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.176 -7.108 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.976 -8.355 -3.422 1.00 0.00 H new ATOM 1094 N ILE A 88 12.401 -10.261 -1.918 1.00 0.00 N ATOM 1095 CA ILE A 88 13.346 -11.255 -2.398 1.00 0.00 C ATOM 1096 C ILE A 88 12.824 -12.653 -2.059 1.00 0.00 C ATOM 1097 O ILE A 88 12.420 -12.912 -0.926 1.00 0.00 O ATOM 1098 CB ILE A 88 14.746 -10.972 -1.849 1.00 0.00 C ATOM 1099 CG1 ILE A 88 15.268 -12.161 -1.040 1.00 0.00 C ATOM 1100 CG2 ILE A 88 14.766 -9.674 -1.040 1.00 0.00 C ATOM 1101 CD1 ILE A 88 14.565 -12.252 0.316 1.00 0.00 C ATOM 0 H ILE A 88 11.759 -10.595 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 88 13.437 -11.202 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 88 15.423 -10.835 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 88 15.109 -13.083 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 88 16.343 -12.060 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.773 -9.497 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.467 -8.843 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.073 -9.756 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.954 -13.105 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.746 -11.338 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.493 -12.377 0.162 1.00 0.00 H new ATOM 1113 N ILE A 89 12.849 -13.518 -3.063 1.00 0.00 N ATOM 1114 CA ILE A 89 12.383 -14.883 -2.886 1.00 0.00 C ATOM 1115 C ILE A 89 13.132 -15.802 -3.853 1.00 0.00 C ATOM 1116 O ILE A 89 13.861 -15.331 -4.725 1.00 0.00 O ATOM 1117 CB ILE A 89 10.861 -14.953 -3.025 1.00 0.00 C ATOM 1118 CG1 ILE A 89 10.205 -13.669 -2.514 1.00 0.00 C ATOM 1119 CG2 ILE A 89 10.303 -16.198 -2.333 1.00 0.00 C ATOM 1120 CD1 ILE A 89 8.695 -13.689 -2.762 1.00 0.00 C ATOM 0 H ILE A 89 13.185 -13.300 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 89 12.603 -15.233 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 89 10.618 -15.039 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.401 -13.556 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.648 -12.807 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.219 -16.223 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 89 10.736 -17.090 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.556 -16.169 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.253 -12.765 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.503 -13.778 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 89 8.252 -14.538 -2.242 1.00 0.00 H new ATOM 1132 N GLU A 90 12.928 -17.098 -3.666 1.00 0.00 N ATOM 1133 CA GLU A 90 13.574 -18.087 -4.511 1.00 0.00 C ATOM 1134 C GLU A 90 12.526 -18.957 -5.207 1.00 0.00 C ATOM 1135 O GLU A 90 11.573 -19.413 -4.576 1.00 0.00 O ATOM 1136 CB GLU A 90 14.550 -18.946 -3.702 1.00 0.00 C ATOM 1137 CG GLU A 90 15.093 -20.101 -4.546 1.00 0.00 C ATOM 1138 CD GLU A 90 16.609 -20.229 -4.388 1.00 0.00 C ATOM 1139 OE1 GLU A 90 17.130 -20.088 -3.272 1.00 0.00 O ATOM 1140 OE2 GLU A 90 17.251 -20.487 -5.477 1.00 0.00 O ATOM 0 H GLU A 90 12.324 -17.486 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 90 14.149 -17.563 -5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.376 -18.329 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 90 14.047 -19.341 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 90 14.613 -21.032 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.845 -19.938 -5.595 1.00 0.00 H new ATOM 1148 N ALA A 91 12.737 -19.162 -6.499 1.00 0.00 N ATOM 1149 CA ALA A 91 11.822 -19.969 -7.288 1.00 0.00 C ATOM 1150 C ALA A 91 12.548 -21.224 -7.778 1.00 0.00 C ATOM 1151 O ALA A 91 13.234 -21.190 -8.798 1.00 0.00 O ATOM 1152 CB ALA A 91 11.266 -19.131 -8.441 1.00 0.00 C ATOM 0 H ALA A 91 13.528 -18.783 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 91 10.976 -20.292 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.580 -19.736 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.735 -18.268 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.087 -18.791 -9.073 1.00 0.00 H new ATOM 1158 N HIS A 92 12.373 -22.301 -7.027 1.00 0.00 N ATOM 1159 CA HIS A 92 13.002 -23.565 -7.371 1.00 0.00 C ATOM 1160 C HIS A 92 12.196 -24.257 -8.472 1.00 0.00 C ATOM 1161 O HIS A 92 11.128 -23.782 -8.856 1.00 0.00 O ATOM 1162 CB HIS A 92 13.182 -24.439 -6.129 1.00 0.00 C ATOM 1163 CG HIS A 92 14.559 -24.361 -5.516 1.00 0.00 C ATOM 1164 ND1 HIS A 92 14.859 -23.532 -4.449 1.00 0.00 N ATOM 1165 CD2 HIS A 92 15.714 -25.016 -5.831 1.00 0.00 C ATOM 1166 CE1 HIS A 92 16.139 -23.689 -4.144 1.00 0.00 C ATOM 1167 NE2 HIS A 92 16.667 -24.609 -5.002 1.00 0.00 N ATOM 0 H HIS A 92 11.804 -22.325 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 92 14.003 -23.382 -7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.446 -24.145 -5.381 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.972 -25.475 -6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 92 15.832 -25.743 -6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.671 -23.178 -3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 92 17.635 -24.931 -5.006 1.00 0.00 H new ATOM 1175 N ARG A 93 12.739 -25.367 -8.949 1.00 0.00 N ATOM 1176 CA ARG A 93 12.083 -26.130 -9.998 1.00 0.00 C ATOM 1177 C ARG A 93 11.309 -27.304 -9.396 1.00 0.00 C ATOM 1178 O ARG A 93 11.758 -27.918 -8.430 1.00 0.00 O ATOM 1179 CB ARG A 93 13.100 -26.663 -11.009 1.00 0.00 C ATOM 1180 CG ARG A 93 14.233 -25.658 -11.230 1.00 0.00 C ATOM 1181 CD ARG A 93 13.790 -24.531 -12.166 1.00 0.00 C ATOM 1182 NE ARG A 93 14.901 -24.159 -13.070 1.00 0.00 N ATOM 1183 CZ ARG A 93 15.490 -25.011 -13.937 1.00 0.00 C ATOM 1184 NH1 ARG A 93 15.077 -26.294 -14.024 1.00 0.00 N ATOM 1185 NH2 ARG A 93 16.474 -24.571 -14.698 1.00 0.00 N ATOM 0 H ARG A 93 13.626 -25.757 -8.629 1.00 0.00 H new ATOM 0 HA ARG A 93 11.393 -25.461 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.511 -27.607 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.602 -26.869 -11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.545 -25.240 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 93 15.099 -26.168 -11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.926 -24.850 -12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.478 -23.664 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 93 15.244 -23.199 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.315 -26.626 -13.432 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.527 -26.931 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.779 -23.600 -14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.929 -25.201 -15.358 1.00 0.00 H new ATOM 1198 N GLU A 94 10.158 -27.581 -9.993 1.00 0.00 N ATOM 1199 CA GLU A 94 9.317 -28.670 -9.528 1.00 0.00 C ATOM 1200 C GLU A 94 8.331 -29.084 -10.622 1.00 0.00 C ATOM 1201 O GLU A 94 7.163 -28.699 -10.588 1.00 0.00 O ATOM 1202 CB GLU A 94 8.581 -28.285 -8.243 1.00 0.00 C ATOM 1203 CG GLU A 94 9.264 -28.891 -7.016 1.00 0.00 C ATOM 1204 CD GLU A 94 8.340 -29.883 -6.307 1.00 0.00 C ATOM 1205 OE1 GLU A 94 7.267 -29.493 -5.824 1.00 0.00 O ATOM 1206 OE2 GLU A 94 8.770 -31.098 -6.270 1.00 0.00 O ATOM 0 H GLU A 94 9.789 -27.070 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 94 9.955 -29.524 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.552 -27.200 -8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.548 -28.628 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.181 -29.396 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.550 -28.097 -6.326 1.00 0.00 H new