USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 36 ASN : amide:sc= -0.416 K(o=-0.49,f=-1.7) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0669 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.204 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -1.54 (180deg=-3.42!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc=-0.00751 X(o=-0.0075,f=0) USER MOD Single : A 44 TYR OH : rot 153:sc= 0.51 USER MOD Single : A 46 HIS : no HE2:sc= -3.51! C(o=-3.5!,f=-3.3!) USER MOD Single : A 54 CYS SG : rot 69:sc= -5.49! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.68 F(o=-3.7,f=-1.7) USER MOD Single : A 68 SER OG : rot 180:sc= -0.332 USER MOD Single : A 70 ASN :FLIP amide:sc= -9.31! C(o=-11!,f=-9.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 161:sc= -2.01 (180deg=-3.36!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.735 USER MOD Single : A 87 THR OG1 : rot -16:sc= 0.329 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 104 SER OG : rot -160:sc= -0.015 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.183 10.501 -25.101 1.00 0.00 N ATOM 2 CA GLY A 1 21.397 11.569 -24.142 1.00 0.00 C ATOM 3 C GLY A 1 20.461 11.477 -22.953 1.00 0.00 C ATOM 4 O GLY A 1 19.454 10.771 -23.001 1.00 0.00 O ATOM 0 H1 GLY A 1 22.021 9.886 -25.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.352 9.943 -24.819 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.022 10.908 -26.044 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.429 11.537 -23.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.258 12.530 -24.636 1.00 0.00 H new ATOM 8 N SER A 2 20.795 12.190 -21.882 1.00 0.00 N ATOM 9 CA SER A 2 19.980 12.182 -20.673 1.00 0.00 C ATOM 10 C SER A 2 20.072 13.520 -19.947 1.00 0.00 C ATOM 11 O SER A 2 21.055 14.247 -20.085 1.00 0.00 O ATOM 12 CB SER A 2 20.422 11.051 -19.742 1.00 0.00 C ATOM 13 OG SER A 2 19.818 9.823 -20.109 1.00 0.00 O ATOM 0 H SER A 2 21.625 12.781 -21.827 1.00 0.00 H new ATOM 0 HA SER A 2 18.943 12.018 -20.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.507 10.951 -19.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.157 11.297 -18.714 1.00 0.00 H new ATOM 0 HG SER A 2 19.549 9.859 -21.051 1.00 0.00 H new ATOM 19 N SER A 3 19.040 13.838 -19.172 1.00 0.00 N ATOM 20 CA SER A 3 19.001 15.090 -18.426 1.00 0.00 C ATOM 21 C SER A 3 19.392 14.866 -16.968 1.00 0.00 C ATOM 22 O SER A 3 19.554 13.730 -16.525 1.00 0.00 O ATOM 23 CB SER A 3 17.604 15.710 -18.501 1.00 0.00 C ATOM 24 OG SER A 3 17.668 17.061 -18.922 1.00 0.00 O ATOM 0 H SER A 3 18.220 13.246 -19.044 1.00 0.00 H new ATOM 0 HA SER A 3 19.720 15.775 -18.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.986 15.139 -19.194 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.124 15.653 -17.524 1.00 0.00 H new ATOM 0 HG SER A 3 16.763 17.434 -18.964 1.00 0.00 H new ATOM 30 N GLY A 4 19.543 15.960 -16.227 1.00 0.00 N ATOM 31 CA GLY A 4 19.915 15.862 -14.828 1.00 0.00 C ATOM 32 C GLY A 4 18.852 16.426 -13.906 1.00 0.00 C ATOM 33 O GLY A 4 18.596 17.630 -13.904 1.00 0.00 O ATOM 0 H GLY A 4 19.414 16.912 -16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.094 14.817 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.852 16.394 -14.666 1.00 0.00 H new ATOM 37 N SER A 5 18.230 15.553 -13.119 1.00 0.00 N ATOM 38 CA SER A 5 17.185 15.969 -12.192 1.00 0.00 C ATOM 39 C SER A 5 16.763 14.811 -11.293 1.00 0.00 C ATOM 40 O SER A 5 17.168 13.668 -11.504 1.00 0.00 O ATOM 41 CB SER A 5 15.974 16.501 -12.960 1.00 0.00 C ATOM 42 OG SER A 5 15.626 15.635 -14.026 1.00 0.00 O ATOM 0 H SER A 5 18.432 14.553 -13.105 1.00 0.00 H new ATOM 0 HA SER A 5 17.587 16.765 -11.565 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.127 16.607 -12.282 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.195 17.494 -13.351 1.00 0.00 H new ATOM 0 HG SER A 5 14.848 15.996 -14.500 1.00 0.00 H new ATOM 48 N SER A 6 15.945 15.115 -10.291 1.00 0.00 N ATOM 49 CA SER A 6 15.470 14.101 -9.357 1.00 0.00 C ATOM 50 C SER A 6 14.671 13.024 -10.085 1.00 0.00 C ATOM 51 O SER A 6 14.386 11.964 -9.529 1.00 0.00 O ATOM 52 CB SER A 6 14.608 14.744 -8.268 1.00 0.00 C ATOM 53 OG SER A 6 13.639 15.611 -8.831 1.00 0.00 O ATOM 0 H SER A 6 15.597 16.056 -10.105 1.00 0.00 H new ATOM 0 HA SER A 6 16.339 13.633 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.112 13.967 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.243 15.301 -7.579 1.00 0.00 H new ATOM 0 HG SER A 6 13.100 16.008 -8.115 1.00 0.00 H new ATOM 59 N GLY A 7 14.312 13.305 -11.334 1.00 0.00 N ATOM 60 CA GLY A 7 13.549 12.352 -12.118 1.00 0.00 C ATOM 61 C GLY A 7 12.224 12.917 -12.590 1.00 0.00 C ATOM 62 O GLY A 7 11.195 12.245 -12.522 1.00 0.00 O ATOM 0 H GLY A 7 14.536 14.175 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.137 12.044 -12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.367 11.458 -11.521 1.00 0.00 H new ATOM 66 N SER A 8 12.249 14.157 -13.068 1.00 0.00 N ATOM 67 CA SER A 8 11.039 14.815 -13.548 1.00 0.00 C ATOM 68 C SER A 8 9.994 14.905 -12.440 1.00 0.00 C ATOM 69 O SER A 8 9.918 14.055 -11.552 1.00 0.00 O ATOM 70 CB SER A 8 10.463 14.060 -14.747 1.00 0.00 C ATOM 71 OG SER A 8 10.444 14.878 -15.904 1.00 0.00 O ATOM 0 H SER A 8 13.093 14.726 -13.133 1.00 0.00 H new ATOM 0 HA SER A 8 11.304 15.826 -13.858 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.058 13.167 -14.939 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.451 13.725 -14.518 1.00 0.00 H new ATOM 0 HG SER A 8 10.073 14.372 -16.657 1.00 0.00 H new ATOM 77 N PRO A 9 9.167 15.960 -12.491 1.00 0.00 N ATOM 78 CA PRO A 9 8.111 16.188 -11.501 1.00 0.00 C ATOM 79 C PRO A 9 6.979 15.172 -11.616 1.00 0.00 C ATOM 80 O PRO A 9 6.587 14.549 -10.629 1.00 0.00 O ATOM 81 CB PRO A 9 7.605 17.592 -11.838 1.00 0.00 C ATOM 82 CG PRO A 9 7.926 17.775 -13.281 1.00 0.00 C ATOM 83 CD PRO A 9 9.200 17.012 -13.521 1.00 0.00 C ATOM 0 HA PRO A 9 8.481 16.087 -10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.534 17.681 -11.657 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.096 18.347 -11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.120 17.398 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.052 18.831 -13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.232 16.590 -14.525 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.077 17.651 -13.415 1.00 0.00 H new ATOM 91 N LEU A 10 6.459 15.008 -12.828 1.00 0.00 N ATOM 92 CA LEU A 10 5.372 14.066 -13.073 1.00 0.00 C ATOM 93 C LEU A 10 5.769 12.655 -12.652 1.00 0.00 C ATOM 94 O LEU A 10 6.894 12.422 -12.208 1.00 0.00 O ATOM 95 CB LEU A 10 4.984 14.079 -14.552 1.00 0.00 C ATOM 96 CG LEU A 10 5.763 13.126 -15.459 1.00 0.00 C ATOM 97 CD1 LEU A 10 4.962 12.805 -16.711 1.00 0.00 C ATOM 98 CD2 LEU A 10 7.113 13.724 -15.827 1.00 0.00 C ATOM 0 H LEU A 10 6.772 15.515 -13.656 1.00 0.00 H new ATOM 0 HA LEU A 10 4.514 14.375 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.924 13.838 -14.631 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.110 15.093 -14.931 1.00 0.00 H new ATOM 0 HG LEU A 10 5.935 12.197 -14.915 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.533 12.126 -17.344 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.020 12.334 -16.430 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.758 13.725 -17.258 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.654 13.032 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.962 14.667 -16.352 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.692 13.901 -14.920 1.00 0.00 H new ATOM 110 N ASP A 11 4.840 11.717 -12.795 1.00 0.00 N ATOM 111 CA ASP A 11 5.094 10.327 -12.433 1.00 0.00 C ATOM 112 C ASP A 11 5.354 10.195 -10.935 1.00 0.00 C ATOM 113 O ASP A 11 5.676 11.174 -10.262 1.00 0.00 O ATOM 114 CB ASP A 11 6.286 9.782 -13.221 1.00 0.00 C ATOM 115 CG ASP A 11 5.922 8.570 -14.056 1.00 0.00 C ATOM 116 OD1 ASP A 11 5.769 7.474 -13.476 1.00 0.00 O ATOM 117 OD2 ASP A 11 5.791 8.717 -15.288 1.00 0.00 O ATOM 0 H ASP A 11 3.904 11.893 -13.159 1.00 0.00 H new ATOM 0 HA ASP A 11 4.207 9.744 -12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.676 10.564 -13.872 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.085 9.516 -12.529 1.00 0.00 H new ATOM 122 N ARG A 12 5.212 8.978 -10.421 1.00 0.00 N ATOM 123 CA ARG A 12 5.430 8.718 -9.003 1.00 0.00 C ATOM 124 C ARG A 12 6.858 9.072 -8.598 1.00 0.00 C ATOM 125 O ARG A 12 7.692 9.392 -9.445 1.00 0.00 O ATOM 126 CB ARG A 12 5.147 7.249 -8.682 1.00 0.00 C ATOM 127 CG ARG A 12 3.695 6.972 -8.328 1.00 0.00 C ATOM 128 CD ARG A 12 2.839 6.813 -9.574 1.00 0.00 C ATOM 129 NE ARG A 12 1.856 5.742 -9.430 1.00 0.00 N ATOM 130 CZ ARG A 12 0.897 5.500 -10.318 1.00 0.00 C ATOM 131 NH1 ARG A 12 0.794 6.248 -11.407 1.00 0.00 N ATOM 132 NH2 ARG A 12 0.040 4.507 -10.116 1.00 0.00 N ATOM 0 H ARG A 12 4.947 8.157 -10.965 1.00 0.00 H new ATOM 0 HA ARG A 12 4.743 9.346 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.426 6.638 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.780 6.939 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.633 6.066 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.306 7.788 -7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.325 7.751 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.480 6.604 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 12 1.908 5.147 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.452 7.012 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.057 6.060 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.117 3.929 -9.279 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.696 4.322 -10.798 1.00 0.00 H new ATOM 146 N ASP A 13 7.130 9.015 -7.299 1.00 0.00 N ATOM 147 CA ASP A 13 8.457 9.329 -6.782 1.00 0.00 C ATOM 148 C ASP A 13 9.534 8.567 -7.548 1.00 0.00 C ATOM 149 O ASP A 13 9.256 7.607 -8.267 1.00 0.00 O ATOM 150 CB ASP A 13 8.539 8.993 -5.292 1.00 0.00 C ATOM 151 CG ASP A 13 8.499 10.230 -4.416 1.00 0.00 C ATOM 152 OD1 ASP A 13 7.737 11.164 -4.744 1.00 0.00 O ATOM 153 OD2 ASP A 13 9.230 10.265 -3.404 1.00 0.00 O ATOM 0 H ASP A 13 6.450 8.754 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 13 8.629 10.397 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.712 8.335 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.459 8.443 -5.097 1.00 0.00 H new ATOM 158 N PRO A 14 10.792 9.004 -7.393 1.00 0.00 N ATOM 159 CA PRO A 14 11.936 8.378 -8.063 1.00 0.00 C ATOM 160 C PRO A 14 12.245 6.992 -7.508 1.00 0.00 C ATOM 161 O PRO A 14 12.730 6.119 -8.227 1.00 0.00 O ATOM 162 CB PRO A 14 13.089 9.340 -7.770 1.00 0.00 C ATOM 163 CG PRO A 14 12.695 10.032 -6.511 1.00 0.00 C ATOM 164 CD PRO A 14 11.196 10.143 -6.552 1.00 0.00 C ATOM 0 HA PRO A 14 11.751 8.224 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.030 8.804 -7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.229 10.050 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.021 9.468 -5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.158 11.017 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.761 10.080 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.875 11.093 -6.980 1.00 0.00 H new ATOM 172 N ALA A 15 11.961 6.796 -6.224 1.00 0.00 N ATOM 173 CA ALA A 15 12.206 5.515 -5.573 1.00 0.00 C ATOM 174 C ALA A 15 10.950 4.651 -5.572 1.00 0.00 C ATOM 175 O ALA A 15 10.786 3.778 -4.719 1.00 0.00 O ATOM 176 CB ALA A 15 12.702 5.732 -4.151 1.00 0.00 C ATOM 0 H ALA A 15 11.561 7.509 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 15 12.976 4.989 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.881 4.767 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.630 6.303 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.951 6.281 -3.584 1.00 0.00 H new ATOM 182 N PHE A 16 10.065 4.899 -6.531 1.00 0.00 N ATOM 183 CA PHE A 16 8.822 4.144 -6.639 1.00 0.00 C ATOM 184 C PHE A 16 9.094 2.708 -7.077 1.00 0.00 C ATOM 185 O PHE A 16 9.475 2.458 -8.221 1.00 0.00 O ATOM 186 CB PHE A 16 7.874 4.821 -7.632 1.00 0.00 C ATOM 187 CG PHE A 16 6.761 3.928 -8.102 1.00 0.00 C ATOM 188 CD1 PHE A 16 6.005 3.205 -7.194 1.00 0.00 C ATOM 189 CD2 PHE A 16 6.472 3.813 -9.452 1.00 0.00 C ATOM 190 CE1 PHE A 16 4.982 2.382 -7.624 1.00 0.00 C ATOM 191 CE2 PHE A 16 5.449 2.992 -9.888 1.00 0.00 C ATOM 192 CZ PHE A 16 4.702 2.276 -8.973 1.00 0.00 C ATOM 0 H PHE A 16 10.185 5.617 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 16 8.353 4.123 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.445 5.708 -7.166 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.446 5.160 -8.495 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.218 3.286 -6.138 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.052 4.371 -10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.401 1.822 -6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.234 2.910 -10.943 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.901 1.635 -9.311 1.00 0.00 H new ATOM 202 N ARG A 17 8.897 1.768 -6.159 1.00 0.00 N ATOM 203 CA ARG A 17 9.122 0.357 -6.448 1.00 0.00 C ATOM 204 C ARG A 17 7.816 -0.428 -6.377 1.00 0.00 C ATOM 205 O ARG A 17 6.904 -0.070 -5.631 1.00 0.00 O ATOM 206 CB ARG A 17 10.137 -0.231 -5.467 1.00 0.00 C ATOM 207 CG ARG A 17 11.571 -0.179 -5.969 1.00 0.00 C ATOM 208 CD ARG A 17 12.308 -1.478 -5.685 1.00 0.00 C ATOM 209 NE ARG A 17 13.738 -1.369 -5.964 1.00 0.00 N ATOM 210 CZ ARG A 17 14.253 -1.414 -7.187 1.00 0.00 C ATOM 211 NH1 ARG A 17 13.461 -1.566 -8.239 1.00 0.00 N ATOM 212 NH2 ARG A 17 15.565 -1.307 -7.360 1.00 0.00 N ATOM 0 H ARG A 17 8.582 1.958 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 17 9.518 0.278 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.072 0.309 -4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.871 -1.268 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.575 0.016 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.095 0.649 -5.492 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.163 -1.756 -4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.880 -2.277 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 17 14.375 -1.252 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.453 -1.649 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.860 -1.600 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.178 -1.190 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.960 -1.342 -8.300 1.00 0.00 H new ATOM 226 N VAL A 18 7.732 -1.500 -7.159 1.00 0.00 N ATOM 227 CA VAL A 18 6.538 -2.336 -7.184 1.00 0.00 C ATOM 228 C VAL A 18 6.897 -3.811 -7.043 1.00 0.00 C ATOM 229 O VAL A 18 7.794 -4.310 -7.725 1.00 0.00 O ATOM 230 CB VAL A 18 5.740 -2.136 -8.486 1.00 0.00 C ATOM 231 CG1 VAL A 18 4.493 -3.006 -8.488 1.00 0.00 C ATOM 232 CG2 VAL A 18 5.377 -0.669 -8.668 1.00 0.00 C ATOM 0 H VAL A 18 8.477 -1.810 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 18 5.921 -2.032 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 18 6.366 -2.439 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.943 -2.851 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.781 -4.054 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.861 -2.738 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.813 -0.546 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.770 -0.337 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.288 -0.072 -8.716 1.00 0.00 H new ATOM 242 N ILE A 19 6.192 -4.504 -6.156 1.00 0.00 N ATOM 243 CA ILE A 19 6.436 -5.922 -5.927 1.00 0.00 C ATOM 244 C ILE A 19 5.125 -6.699 -5.844 1.00 0.00 C ATOM 245 O ILE A 19 4.041 -6.117 -5.890 1.00 0.00 O ATOM 246 CB ILE A 19 7.239 -6.154 -4.633 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.468 -5.619 -3.425 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.605 -5.492 -4.733 1.00 0.00 C ATOM 249 CD1 ILE A 19 5.925 -6.707 -2.525 1.00 0.00 C ATOM 0 H ILE A 19 5.447 -4.106 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 19 7.017 -6.283 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 19 7.385 -7.226 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.124 -4.971 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.641 -5.002 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.161 -5.664 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.154 -5.917 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.480 -4.420 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.390 -6.255 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.243 -7.341 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.750 -7.310 -2.144 1.00 0.00 H new ATOM 261 N THR A 20 5.232 -8.018 -5.720 1.00 0.00 N ATOM 262 CA THR A 20 4.057 -8.875 -5.630 1.00 0.00 C ATOM 263 C THR A 20 4.191 -9.873 -4.485 1.00 0.00 C ATOM 264 O THR A 20 5.256 -10.453 -4.275 1.00 0.00 O ATOM 265 CB THR A 20 3.822 -9.646 -6.943 1.00 0.00 C ATOM 266 OG1 THR A 20 4.729 -9.185 -7.951 1.00 0.00 O ATOM 267 CG2 THR A 20 2.389 -9.471 -7.424 1.00 0.00 C ATOM 0 H THR A 20 6.121 -8.516 -5.680 1.00 0.00 H new ATOM 0 HA THR A 20 3.204 -8.223 -5.442 1.00 0.00 H new ATOM 0 HB THR A 20 3.998 -10.705 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.574 -9.681 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.247 -10.024 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.702 -9.850 -6.667 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.190 -8.413 -7.598 1.00 0.00 H new ATOM 275 N VAL A 21 3.102 -10.069 -3.747 1.00 0.00 N ATOM 276 CA VAL A 21 3.098 -10.998 -2.624 1.00 0.00 C ATOM 277 C VAL A 21 2.183 -12.186 -2.898 1.00 0.00 C ATOM 278 O VAL A 21 1.049 -12.021 -3.350 1.00 0.00 O ATOM 279 CB VAL A 21 2.646 -10.306 -1.324 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.304 -11.338 -0.260 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.723 -9.353 -0.827 1.00 0.00 C ATOM 0 H VAL A 21 2.212 -9.597 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 21 4.122 -11.351 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 21 1.748 -9.726 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.987 -10.830 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.497 -11.977 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.183 -11.947 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.388 -8.872 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.640 -9.910 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.914 -8.593 -1.585 1.00 0.00 H new ATOM 291 N THR A 22 2.682 -13.387 -2.621 1.00 0.00 N ATOM 292 CA THR A 22 1.910 -14.604 -2.838 1.00 0.00 C ATOM 293 C THR A 22 0.588 -14.560 -2.080 1.00 0.00 C ATOM 294 O THR A 22 0.562 -14.649 -0.852 1.00 0.00 O ATOM 295 CB THR A 22 2.698 -15.854 -2.401 1.00 0.00 C ATOM 296 OG1 THR A 22 3.930 -15.934 -3.125 1.00 0.00 O ATOM 297 CG2 THR A 22 1.882 -17.117 -2.637 1.00 0.00 C ATOM 0 H THR A 22 3.618 -13.542 -2.246 1.00 0.00 H new ATOM 0 HA THR A 22 1.710 -14.665 -3.908 1.00 0.00 H new ATOM 0 HB THR A 22 2.909 -15.770 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.426 -16.730 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.458 -17.987 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.958 -17.066 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.645 -17.204 -3.697 1.00 0.00 H new ATOM 305 N LYS A 23 -0.508 -14.422 -2.818 1.00 0.00 N ATOM 306 CA LYS A 23 -1.834 -14.368 -2.216 1.00 0.00 C ATOM 307 C LYS A 23 -2.264 -15.745 -1.720 1.00 0.00 C ATOM 308 O LYS A 23 -2.349 -16.696 -2.497 1.00 0.00 O ATOM 309 CB LYS A 23 -2.854 -13.838 -3.227 1.00 0.00 C ATOM 310 CG LYS A 23 -4.297 -14.067 -2.812 1.00 0.00 C ATOM 311 CD LYS A 23 -5.238 -13.991 -4.002 1.00 0.00 C ATOM 312 CE LYS A 23 -5.988 -12.668 -4.036 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.883 -12.568 -5.222 1.00 0.00 N ATOM 0 H LYS A 23 -0.504 -14.345 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.790 -13.691 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.691 -12.770 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.681 -14.318 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.389 -15.043 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.586 -13.322 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.670 -14.112 -4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.951 -14.814 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.578 -12.562 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.273 -11.845 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.906 -11.584 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.525 -13.184 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.844 -12.866 -4.958 1.00 0.00 H new ATOM 327 N GLU A 24 -2.534 -15.844 -0.422 1.00 0.00 N ATOM 328 CA GLU A 24 -2.955 -17.106 0.176 1.00 0.00 C ATOM 329 C GLU A 24 -4.212 -16.915 1.020 1.00 0.00 C ATOM 330 O GLU A 24 -5.167 -17.685 0.915 1.00 0.00 O ATOM 331 CB GLU A 24 -1.832 -17.687 1.038 1.00 0.00 C ATOM 332 CG GLU A 24 -2.090 -19.113 1.493 1.00 0.00 C ATOM 333 CD GLU A 24 -0.844 -19.976 1.443 1.00 0.00 C ATOM 334 OE1 GLU A 24 0.258 -19.441 1.691 1.00 0.00 O ATOM 335 OE2 GLU A 24 -0.969 -21.185 1.157 1.00 0.00 O ATOM 0 H GLU A 24 -2.469 -15.066 0.235 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.182 -17.803 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.900 -17.658 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.694 -17.054 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.478 -19.101 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.861 -19.557 0.863 1.00 0.00 H new ATOM 342 N THR A 25 -4.204 -15.883 1.859 1.00 0.00 N ATOM 343 CA THR A 25 -5.341 -15.591 2.722 1.00 0.00 C ATOM 344 C THR A 25 -5.922 -14.215 2.419 1.00 0.00 C ATOM 345 O THR A 25 -7.139 -14.032 2.412 1.00 0.00 O ATOM 346 CB THR A 25 -4.947 -15.653 4.210 1.00 0.00 C ATOM 347 OG1 THR A 25 -3.948 -14.667 4.494 1.00 0.00 O ATOM 348 CG2 THR A 25 -4.421 -17.034 4.573 1.00 0.00 C ATOM 0 H THR A 25 -3.422 -15.236 1.959 1.00 0.00 H new ATOM 0 HA THR A 25 -6.094 -16.353 2.521 1.00 0.00 H new ATOM 0 HB THR A 25 -5.836 -15.451 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.704 -14.712 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.149 -17.054 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.194 -17.779 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.543 -17.260 3.968 1.00 0.00 H new ATOM 356 N GLY A 26 -5.044 -13.248 2.169 1.00 0.00 N ATOM 357 CA GLY A 26 -5.490 -11.901 1.868 1.00 0.00 C ATOM 358 C GLY A 26 -4.468 -10.851 2.257 1.00 0.00 C ATOM 359 O GLY A 26 -3.467 -11.159 2.905 1.00 0.00 O ATOM 0 H GLY A 26 -4.032 -13.374 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.700 -11.821 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.425 -11.705 2.393 1.00 0.00 H new ATOM 363 N LEU A 27 -4.718 -9.608 1.861 1.00 0.00 N ATOM 364 CA LEU A 27 -3.811 -8.509 2.171 1.00 0.00 C ATOM 365 C LEU A 27 -3.443 -8.507 3.651 1.00 0.00 C ATOM 366 O LEU A 27 -2.282 -8.690 4.013 1.00 0.00 O ATOM 367 CB LEU A 27 -4.449 -7.172 1.791 1.00 0.00 C ATOM 368 CG LEU A 27 -3.943 -6.530 0.498 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.501 -6.076 0.657 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.074 -7.501 -0.666 1.00 0.00 C ATOM 0 H LEU A 27 -5.542 -9.336 1.324 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.900 -8.648 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.526 -7.318 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.288 -6.470 2.609 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.556 -5.654 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.158 -5.622 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.436 -5.345 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.873 -6.935 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.709 -7.028 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.486 -8.396 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.121 -7.776 -0.794 1.00 0.00 H new ATOM 382 N GLY A 28 -4.443 -8.302 4.504 1.00 0.00 N ATOM 383 CA GLY A 28 -4.205 -8.282 5.935 1.00 0.00 C ATOM 384 C GLY A 28 -3.174 -7.246 6.338 1.00 0.00 C ATOM 385 O GLY A 28 -2.251 -7.540 7.098 1.00 0.00 O ATOM 0 H GLY A 28 -5.413 -8.150 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.142 -8.078 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.870 -9.268 6.258 1.00 0.00 H new ATOM 389 N LEU A 29 -3.329 -6.030 5.826 1.00 0.00 N ATOM 390 CA LEU A 29 -2.403 -4.946 6.135 1.00 0.00 C ATOM 391 C LEU A 29 -3.150 -3.727 6.666 1.00 0.00 C ATOM 392 O LEU A 29 -4.293 -3.471 6.286 1.00 0.00 O ATOM 393 CB LEU A 29 -1.600 -4.565 4.890 1.00 0.00 C ATOM 394 CG LEU A 29 -0.693 -5.654 4.317 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.163 -5.243 2.952 1.00 0.00 C ATOM 396 CD2 LEU A 29 0.456 -5.948 5.271 1.00 0.00 C ATOM 0 H LEU A 29 -4.087 -5.770 5.195 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.719 -5.294 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.298 -4.256 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.985 -3.697 5.130 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.281 -6.564 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.481 -6.030 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.998 -5.084 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.409 -4.320 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.091 -6.726 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.043 -5.042 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.057 -6.287 6.227 1.00 0.00 H new ATOM 408 N LYS A 30 -2.495 -2.975 7.544 1.00 0.00 N ATOM 409 CA LYS A 30 -3.095 -1.779 8.126 1.00 0.00 C ATOM 410 C LYS A 30 -2.472 -0.517 7.537 1.00 0.00 C ATOM 411 O LYS A 30 -1.249 -0.392 7.466 1.00 0.00 O ATOM 412 CB LYS A 30 -2.921 -1.785 9.646 1.00 0.00 C ATOM 413 CG LYS A 30 -3.444 -3.045 10.313 1.00 0.00 C ATOM 414 CD LYS A 30 -3.376 -2.944 11.828 1.00 0.00 C ATOM 415 CE LYS A 30 -3.697 -4.274 12.491 1.00 0.00 C ATOM 416 NZ LYS A 30 -3.777 -4.151 13.973 1.00 0.00 N ATOM 0 H LYS A 30 -1.548 -3.172 7.869 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.159 -1.783 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.863 -1.671 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.436 -0.921 10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.475 -3.220 10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.862 -3.903 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.380 -2.618 12.127 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.077 -2.185 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.644 -4.652 12.106 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.932 -5.005 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.998 -5.079 14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.865 -3.815 14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.524 -3.473 14.225 1.00 0.00 H new ATOM 430 N ILE A 31 -3.320 0.415 7.117 1.00 0.00 N ATOM 431 CA ILE A 31 -2.852 1.668 6.538 1.00 0.00 C ATOM 432 C ILE A 31 -3.054 2.830 7.504 1.00 0.00 C ATOM 433 O ILE A 31 -3.808 2.723 8.472 1.00 0.00 O ATOM 434 CB ILE A 31 -3.578 1.982 5.216 1.00 0.00 C ATOM 435 CG1 ILE A 31 -5.086 2.084 5.448 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.267 0.917 4.175 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.708 3.326 4.849 1.00 0.00 C ATOM 0 H ILE A 31 -4.335 0.326 7.167 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.787 1.546 6.339 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.222 2.942 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.571 1.204 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.282 2.070 6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.787 1.153 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.193 0.890 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.598 -0.056 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.779 3.331 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.250 4.211 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.544 3.332 3.771 1.00 0.00 H new ATOM 449 N LEU A 32 -2.377 3.941 7.234 1.00 0.00 N ATOM 450 CA LEU A 32 -2.483 5.125 8.079 1.00 0.00 C ATOM 451 C LEU A 32 -2.544 6.393 7.233 1.00 0.00 C ATOM 452 O LEU A 32 -2.160 6.391 6.064 1.00 0.00 O ATOM 453 CB LEU A 32 -1.297 5.197 9.042 1.00 0.00 C ATOM 454 CG LEU A 32 -1.600 4.869 10.505 1.00 0.00 C ATOM 455 CD1 LEU A 32 -0.329 4.924 11.338 1.00 0.00 C ATOM 456 CD2 LEU A 32 -2.646 5.824 11.060 1.00 0.00 C ATOM 0 H LEU A 32 -1.749 4.046 6.437 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.405 5.049 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.526 4.512 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.877 6.202 8.995 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.999 3.856 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.564 4.688 12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.389 4.199 10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.100 5.924 11.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.849 5.576 12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.275 6.847 10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.565 5.735 10.480 1.00 0.00 H new ATOM 468 N GLY A 33 -3.026 7.477 7.834 1.00 0.00 N ATOM 469 CA GLY A 33 -3.125 8.738 7.122 1.00 0.00 C ATOM 470 C GLY A 33 -4.501 8.960 6.526 1.00 0.00 C ATOM 471 O GLY A 33 -5.482 8.367 6.972 1.00 0.00 O ATOM 0 H GLY A 33 -3.350 7.504 8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.891 9.556 7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.380 8.762 6.327 1.00 0.00 H new ATOM 475 N GLY A 34 -4.574 9.820 5.514 1.00 0.00 N ATOM 476 CA GLY A 34 -5.845 10.106 4.874 1.00 0.00 C ATOM 477 C GLY A 34 -6.124 11.592 4.777 1.00 0.00 C ATOM 478 O GLY A 34 -6.047 12.311 5.774 1.00 0.00 O ATOM 0 H GLY A 34 -3.776 10.323 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.850 9.673 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.647 9.625 5.434 1.00 0.00 H new ATOM 482 N ILE A 35 -6.448 12.055 3.574 1.00 0.00 N ATOM 483 CA ILE A 35 -6.739 13.465 3.351 1.00 0.00 C ATOM 484 C ILE A 35 -7.526 14.056 4.516 1.00 0.00 C ATOM 485 O ILE A 35 -7.423 15.246 4.808 1.00 0.00 O ATOM 486 CB ILE A 35 -7.534 13.678 2.049 1.00 0.00 C ATOM 487 CG1 ILE A 35 -8.733 12.728 1.998 1.00 0.00 C ATOM 488 CG2 ILE A 35 -6.635 13.470 0.840 1.00 0.00 C ATOM 489 CD1 ILE A 35 -9.521 12.819 0.710 1.00 0.00 C ATOM 0 H ILE A 35 -6.515 11.473 2.739 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.779 13.975 3.268 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.905 14.703 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.381 11.705 2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.395 12.946 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.211 13.624 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.810 14.182 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.238 12.455 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.355 12.118 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.903 13.833 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.873 12.572 -0.131 1.00 0.00 H new ATOM 501 N ASN A 36 -8.310 13.213 5.180 1.00 0.00 N ATOM 502 CA ASN A 36 -9.114 13.651 6.316 1.00 0.00 C ATOM 503 C ASN A 36 -8.387 13.387 7.631 1.00 0.00 C ATOM 504 O ASN A 36 -8.530 14.142 8.593 1.00 0.00 O ATOM 505 CB ASN A 36 -10.467 12.935 6.315 1.00 0.00 C ATOM 506 CG ASN A 36 -10.323 11.426 6.303 1.00 0.00 C ATOM 507 OD1 ASN A 36 -10.027 10.811 7.328 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.531 10.821 5.139 1.00 0.00 N ATOM 0 H ASN A 36 -8.406 12.224 4.952 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.278 14.724 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.035 13.236 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.041 13.249 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.447 9.807 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.774 11.371 4.315 1.00 0.00 H new ATOM 515 N ARG A 37 -7.608 12.311 7.664 1.00 0.00 N ATOM 516 CA ARG A 37 -6.859 11.947 8.861 1.00 0.00 C ATOM 517 C ARG A 37 -5.712 12.925 9.103 1.00 0.00 C ATOM 518 O ARG A 37 -5.414 13.768 8.259 1.00 0.00 O ATOM 519 CB ARG A 37 -6.312 10.524 8.733 1.00 0.00 C ATOM 520 CG ARG A 37 -7.352 9.447 8.991 1.00 0.00 C ATOM 521 CD ARG A 37 -7.913 9.539 10.401 1.00 0.00 C ATOM 522 NE ARG A 37 -8.400 8.249 10.882 1.00 0.00 N ATOM 523 CZ ARG A 37 -8.919 8.063 12.091 1.00 0.00 C ATOM 524 NH1 ARG A 37 -9.018 9.079 12.936 1.00 0.00 N ATOM 525 NH2 ARG A 37 -9.341 6.859 12.455 1.00 0.00 N ATOM 0 H ARG A 37 -7.479 11.676 6.876 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.538 11.993 9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.903 10.390 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.487 10.396 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.163 9.543 8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.905 8.465 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.140 9.909 11.075 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.727 10.264 10.421 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.338 7.447 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.695 10.006 12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.417 8.934 13.864 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.267 6.075 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.739 6.717 13.383 1.00 0.00 H new ATOM 539 N ASN A 38 -5.074 12.805 10.263 1.00 0.00 N ATOM 540 CA ASN A 38 -3.961 13.678 10.616 1.00 0.00 C ATOM 541 C ASN A 38 -2.649 13.147 10.045 1.00 0.00 C ATOM 542 O ASN A 38 -1.751 13.917 9.710 1.00 0.00 O ATOM 543 CB ASN A 38 -3.852 13.810 12.137 1.00 0.00 C ATOM 544 CG ASN A 38 -4.208 15.201 12.624 1.00 0.00 C ATOM 545 OD1 ASN A 38 -5.205 15.390 13.321 1.00 0.00 O ATOM 546 ND2 ASN A 38 -3.393 16.183 12.257 1.00 0.00 N ATOM 0 H ASN A 38 -5.309 12.112 10.974 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.152 14.661 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.512 13.083 12.610 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.836 13.568 12.448 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.582 17.140 12.554 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.578 15.980 11.678 1.00 0.00 H new ATOM 553 N GLU A 39 -2.549 11.826 9.938 1.00 0.00 N ATOM 554 CA GLU A 39 -1.348 11.192 9.408 1.00 0.00 C ATOM 555 C GLU A 39 -1.201 11.467 7.914 1.00 0.00 C ATOM 556 O GLU A 39 -0.101 11.413 7.367 1.00 0.00 O ATOM 557 CB GLU A 39 -1.388 9.683 9.658 1.00 0.00 C ATOM 558 CG GLU A 39 -0.598 9.247 10.881 1.00 0.00 C ATOM 559 CD GLU A 39 -1.452 9.180 12.132 1.00 0.00 C ATOM 560 OE1 GLU A 39 -2.687 9.045 12.003 1.00 0.00 O ATOM 561 OE2 GLU A 39 -0.885 9.261 13.242 1.00 0.00 O ATOM 0 H GLU A 39 -3.285 11.175 10.211 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.487 11.616 9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.425 9.370 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.997 9.167 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.156 8.268 10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.225 9.942 11.044 1.00 0.00 H new ATOM 568 N GLY A 40 -2.321 11.764 7.260 1.00 0.00 N ATOM 569 CA GLY A 40 -2.296 12.043 5.837 1.00 0.00 C ATOM 570 C GLY A 40 -1.581 13.340 5.512 1.00 0.00 C ATOM 571 O GLY A 40 -0.823 13.874 6.321 1.00 0.00 O ATOM 0 H GLY A 40 -3.244 11.816 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.804 11.221 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.318 12.091 5.462 1.00 0.00 H new ATOM 575 N PRO A 41 -1.821 13.865 4.301 1.00 0.00 N ATOM 576 CA PRO A 41 -2.721 13.237 3.330 1.00 0.00 C ATOM 577 C PRO A 41 -2.150 11.941 2.763 1.00 0.00 C ATOM 578 O PRO A 41 -2.868 11.151 2.149 1.00 0.00 O ATOM 579 CB PRO A 41 -2.847 14.292 2.228 1.00 0.00 C ATOM 580 CG PRO A 41 -1.596 15.095 2.328 1.00 0.00 C ATOM 581 CD PRO A 41 -1.230 15.112 3.787 1.00 0.00 C ATOM 0 HA PRO A 41 -3.673 12.955 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.943 13.829 1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.730 14.914 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.799 14.652 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.751 16.107 1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.150 15.134 3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.636 15.988 4.293 1.00 0.00 H new ATOM 589 N LEU A 42 -0.856 11.729 2.974 1.00 0.00 N ATOM 590 CA LEU A 42 -0.188 10.528 2.484 1.00 0.00 C ATOM 591 C LEU A 42 -0.720 9.284 3.188 1.00 0.00 C ATOM 592 O LEU A 42 -1.262 9.365 4.290 1.00 0.00 O ATOM 593 CB LEU A 42 1.323 10.639 2.694 1.00 0.00 C ATOM 594 CG LEU A 42 2.075 11.526 1.701 1.00 0.00 C ATOM 595 CD1 LEU A 42 1.633 11.228 0.277 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.862 12.996 2.032 1.00 0.00 C ATOM 0 H LEU A 42 -0.248 12.373 3.481 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.395 10.437 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.503 11.020 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.750 9.637 2.651 1.00 0.00 H new ATOM 0 HG LEU A 42 3.140 11.307 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.179 11.869 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.839 10.183 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.564 11.418 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.404 13.613 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.799 13.230 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.230 13.200 3.038 1.00 0.00 H new ATOM 608 N VAL A 43 -0.561 8.132 2.544 1.00 0.00 N ATOM 609 CA VAL A 43 -1.023 6.869 3.109 1.00 0.00 C ATOM 610 C VAL A 43 0.143 5.916 3.349 1.00 0.00 C ATOM 611 O VAL A 43 0.822 5.500 2.410 1.00 0.00 O ATOM 612 CB VAL A 43 -2.050 6.185 2.188 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.369 4.785 2.691 1.00 0.00 C ATOM 614 CG2 VAL A 43 -3.314 7.024 2.084 1.00 0.00 C ATOM 0 H VAL A 43 -0.116 8.047 1.630 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.499 7.103 4.061 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.617 6.097 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.096 4.317 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.457 4.188 2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.782 4.845 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.029 6.525 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.753 7.145 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.068 8.003 1.674 1.00 0.00 H new ATOM 624 N TYR A 44 0.369 5.574 4.613 1.00 0.00 N ATOM 625 CA TYR A 44 1.454 4.671 4.978 1.00 0.00 C ATOM 626 C TYR A 44 0.907 3.362 5.539 1.00 0.00 C ATOM 627 O TYR A 44 -0.302 3.201 5.702 1.00 0.00 O ATOM 628 CB TYR A 44 2.374 5.334 6.004 1.00 0.00 C ATOM 629 CG TYR A 44 2.327 6.845 5.972 1.00 0.00 C ATOM 630 CD1 TYR A 44 2.892 7.555 4.919 1.00 0.00 C ATOM 631 CD2 TYR A 44 1.720 7.563 6.994 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.853 8.936 4.886 1.00 0.00 C ATOM 633 CE2 TYR A 44 1.674 8.943 6.968 1.00 0.00 C ATOM 634 CZ TYR A 44 2.242 9.625 5.913 1.00 0.00 C ATOM 635 OH TYR A 44 2.200 11.000 5.884 1.00 0.00 O ATOM 0 H TYR A 44 -0.185 5.909 5.402 1.00 0.00 H new ATOM 0 HA TYR A 44 2.026 4.448 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.099 4.991 7.001 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.398 5.007 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.370 7.018 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.276 7.033 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.298 9.473 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.195 9.485 7.770 1.00 0.00 H new ATOM 0 HH TYR A 44 1.416 11.314 6.381 1.00 0.00 H new ATOM 645 N ILE A 45 1.808 2.430 5.832 1.00 0.00 N ATOM 646 CA ILE A 45 1.418 1.136 6.377 1.00 0.00 C ATOM 647 C ILE A 45 1.360 1.175 7.900 1.00 0.00 C ATOM 648 O ILE A 45 2.381 1.038 8.575 1.00 0.00 O ATOM 649 CB ILE A 45 2.390 0.025 5.940 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.383 -0.120 4.417 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.022 -1.293 6.605 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.320 -1.192 3.907 1.00 0.00 C ATOM 0 H ILE A 45 2.813 2.547 5.701 1.00 0.00 H new ATOM 0 HA ILE A 45 0.426 0.915 5.984 1.00 0.00 H new ATOM 0 HB ILE A 45 3.397 0.300 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.370 -0.348 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.658 0.835 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.718 -2.068 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.075 -1.181 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.009 -1.575 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.262 -1.238 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.341 -0.955 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.033 -2.156 4.327 1.00 0.00 H new ATOM 664 N HIS A 46 0.158 1.362 8.437 1.00 0.00 N ATOM 665 CA HIS A 46 -0.034 1.417 9.882 1.00 0.00 C ATOM 666 C HIS A 46 0.704 0.274 10.572 1.00 0.00 C ATOM 667 O HIS A 46 1.470 0.494 11.509 1.00 0.00 O ATOM 668 CB HIS A 46 -1.524 1.357 10.222 1.00 0.00 C ATOM 669 CG HIS A 46 -1.819 1.619 11.667 1.00 0.00 C ATOM 670 ND1 HIS A 46 -2.881 2.390 12.090 1.00 0.00 N ATOM 671 CD2 HIS A 46 -1.185 1.206 12.789 1.00 0.00 C ATOM 672 CE1 HIS A 46 -2.887 2.441 13.410 1.00 0.00 C ATOM 673 NE2 HIS A 46 -1.868 1.730 13.859 1.00 0.00 N ATOM 0 H HIS A 46 -0.697 1.478 7.893 1.00 0.00 H new ATOM 0 HA HIS A 46 0.376 2.360 10.243 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.057 2.087 9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.910 0.374 9.953 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.556 2.849 11.479 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.306 0.581 12.834 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.603 2.973 14.019 1.00 0.00 H new ATOM 682 N GLU A 47 0.466 -0.947 10.102 1.00 0.00 N ATOM 683 CA GLU A 47 1.107 -2.124 10.676 1.00 0.00 C ATOM 684 C GLU A 47 0.621 -3.397 9.989 1.00 0.00 C ATOM 685 O GLU A 47 -0.581 -3.637 9.880 1.00 0.00 O ATOM 686 CB GLU A 47 0.828 -2.203 12.178 1.00 0.00 C ATOM 687 CG GLU A 47 1.293 -3.501 12.816 1.00 0.00 C ATOM 688 CD GLU A 47 2.734 -3.438 13.284 1.00 0.00 C ATOM 689 OE1 GLU A 47 3.047 -2.568 14.123 1.00 0.00 O ATOM 690 OE2 GLU A 47 3.548 -4.258 12.811 1.00 0.00 O ATOM 0 H GLU A 47 -0.165 -1.146 9.326 1.00 0.00 H new ATOM 0 HA GLU A 47 2.182 -2.034 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.320 -1.367 12.675 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.243 -2.088 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.650 -3.736 13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.183 -4.314 12.098 1.00 0.00 H new ATOM 697 N VAL A 48 1.566 -4.211 9.528 1.00 0.00 N ATOM 698 CA VAL A 48 1.235 -5.460 8.852 1.00 0.00 C ATOM 699 C VAL A 48 0.792 -6.524 9.850 1.00 0.00 C ATOM 700 O VAL A 48 1.600 -7.039 10.623 1.00 0.00 O ATOM 701 CB VAL A 48 2.433 -5.996 8.045 1.00 0.00 C ATOM 702 CG1 VAL A 48 3.704 -5.946 8.880 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.158 -7.412 7.561 1.00 0.00 C ATOM 0 H VAL A 48 2.566 -4.028 9.610 1.00 0.00 H new ATOM 0 HA VAL A 48 0.414 -5.242 8.169 1.00 0.00 H new ATOM 0 HB VAL A 48 2.575 -5.359 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.540 -6.328 8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.907 -4.916 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.577 -6.558 9.773 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.014 -7.775 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.989 -8.063 8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.273 -7.414 6.924 1.00 0.00 H new ATOM 713 N ILE A 49 -0.496 -6.848 9.828 1.00 0.00 N ATOM 714 CA ILE A 49 -1.046 -7.853 10.730 1.00 0.00 C ATOM 715 C ILE A 49 -0.263 -9.158 10.643 1.00 0.00 C ATOM 716 O ILE A 49 0.109 -9.617 9.563 1.00 0.00 O ATOM 717 CB ILE A 49 -2.528 -8.135 10.421 1.00 0.00 C ATOM 718 CG1 ILE A 49 -3.346 -6.845 10.514 1.00 0.00 C ATOM 719 CG2 ILE A 49 -3.077 -9.186 11.374 1.00 0.00 C ATOM 720 CD1 ILE A 49 -4.576 -6.845 9.633 1.00 0.00 C ATOM 0 H ILE A 49 -1.178 -6.430 9.196 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.964 -7.450 11.739 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.605 -8.519 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.650 -6.691 11.549 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.712 -6.002 10.239 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.125 -9.374 11.143 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.509 -10.110 11.263 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.990 -8.828 12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.107 -5.900 9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.278 -6.967 8.592 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.231 -7.667 9.922 1.00 0.00 H new ATOM 732 N PRO A 50 -0.006 -9.772 11.807 1.00 0.00 N ATOM 733 CA PRO A 50 0.734 -11.035 11.890 1.00 0.00 C ATOM 734 C PRO A 50 -0.062 -12.211 11.332 1.00 0.00 C ATOM 735 O PRO A 50 -1.096 -12.589 11.882 1.00 0.00 O ATOM 736 CB PRO A 50 0.967 -11.212 13.392 1.00 0.00 C ATOM 737 CG PRO A 50 -0.136 -10.448 14.040 1.00 0.00 C ATOM 738 CD PRO A 50 -0.419 -9.282 13.133 1.00 0.00 C ATOM 0 HA PRO A 50 1.652 -11.009 11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.939 -12.264 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.943 -10.827 13.689 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.022 -11.071 14.164 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.156 -10.108 15.034 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.474 -9.007 13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.145 -8.397 13.428 1.00 0.00 H new ATOM 746 N GLY A 51 0.427 -12.785 10.238 1.00 0.00 N ATOM 747 CA GLY A 51 -0.251 -13.912 9.625 1.00 0.00 C ATOM 748 C GLY A 51 -0.944 -13.537 8.330 1.00 0.00 C ATOM 749 O GLY A 51 -1.906 -14.187 7.921 1.00 0.00 O ATOM 0 H GLY A 51 1.281 -12.490 9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.471 -14.705 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.985 -14.314 10.323 1.00 0.00 H new ATOM 753 N GLY A 52 -0.456 -12.483 7.682 1.00 0.00 N ATOM 754 CA GLY A 52 -1.049 -12.039 6.434 1.00 0.00 C ATOM 755 C GLY A 52 -0.232 -12.452 5.226 1.00 0.00 C ATOM 756 O GLY A 52 0.580 -13.374 5.303 1.00 0.00 O ATOM 0 H GLY A 52 0.339 -11.929 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.055 -12.450 6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.148 -10.954 6.448 1.00 0.00 H new ATOM 760 N ASP A 53 -0.448 -11.770 4.107 1.00 0.00 N ATOM 761 CA ASP A 53 0.273 -12.071 2.876 1.00 0.00 C ATOM 762 C ASP A 53 1.662 -11.439 2.892 1.00 0.00 C ATOM 763 O ASP A 53 2.655 -12.092 2.570 1.00 0.00 O ATOM 764 CB ASP A 53 -0.514 -11.573 1.663 1.00 0.00 C ATOM 765 CG ASP A 53 -0.222 -10.121 1.340 1.00 0.00 C ATOM 766 OD1 ASP A 53 -0.322 -9.278 2.255 1.00 0.00 O ATOM 767 OD2 ASP A 53 0.107 -9.827 0.171 1.00 0.00 O ATOM 0 H ASP A 53 -1.117 -11.004 4.027 1.00 0.00 H new ATOM 0 HA ASP A 53 0.386 -13.153 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.272 -12.190 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.581 -11.693 1.852 1.00 0.00 H new ATOM 772 N CYS A 54 1.722 -10.166 3.267 1.00 0.00 N ATOM 773 CA CYS A 54 2.989 -9.445 3.322 1.00 0.00 C ATOM 774 C CYS A 54 3.780 -9.831 4.568 1.00 0.00 C ATOM 775 O CYS A 54 4.981 -10.091 4.497 1.00 0.00 O ATOM 776 CB CYS A 54 2.741 -7.936 3.308 1.00 0.00 C ATOM 777 SG CYS A 54 2.085 -7.311 1.744 1.00 0.00 S ATOM 0 H CYS A 54 0.909 -9.612 3.537 1.00 0.00 H new ATOM 0 HA CYS A 54 3.573 -9.718 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.044 -7.686 4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.677 -7.423 3.528 1.00 0.00 H new ATOM 0 HG CYS A 54 0.873 -7.749 1.576 1.00 0.00 H new ATOM 783 N TYR A 55 3.099 -9.865 5.708 1.00 0.00 N ATOM 784 CA TYR A 55 3.739 -10.215 6.970 1.00 0.00 C ATOM 785 C TYR A 55 4.754 -11.337 6.774 1.00 0.00 C ATOM 786 O TYR A 55 5.927 -11.196 7.120 1.00 0.00 O ATOM 787 CB TYR A 55 2.688 -10.637 7.999 1.00 0.00 C ATOM 788 CG TYR A 55 3.248 -10.840 9.388 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.504 -9.758 10.221 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.521 -12.115 9.869 1.00 0.00 C ATOM 791 CE1 TYR A 55 4.017 -9.939 11.491 1.00 0.00 C ATOM 792 CE2 TYR A 55 4.032 -12.306 11.138 1.00 0.00 C ATOM 793 CZ TYR A 55 4.279 -11.214 11.945 1.00 0.00 C ATOM 794 OH TYR A 55 4.788 -11.399 13.210 1.00 0.00 O ATOM 0 H TYR A 55 2.104 -9.654 5.784 1.00 0.00 H new ATOM 0 HA TYR A 55 4.265 -9.334 7.338 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.906 -9.879 8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.218 -11.563 7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.298 -8.758 9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.330 -12.972 9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.212 -9.086 12.125 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.237 -13.304 11.497 1.00 0.00 H new ATOM 0 HH TYR A 55 4.914 -12.357 13.375 1.00 0.00 H new ATOM 804 N LYS A 56 4.294 -12.451 6.216 1.00 0.00 N ATOM 805 CA LYS A 56 5.159 -13.598 5.970 1.00 0.00 C ATOM 806 C LYS A 56 6.282 -13.236 5.003 1.00 0.00 C ATOM 807 O LYS A 56 7.439 -13.596 5.217 1.00 0.00 O ATOM 808 CB LYS A 56 4.346 -14.766 5.409 1.00 0.00 C ATOM 809 CG LYS A 56 3.987 -15.814 6.449 1.00 0.00 C ATOM 810 CD LYS A 56 2.520 -16.201 6.369 1.00 0.00 C ATOM 811 CE LYS A 56 1.805 -15.951 7.687 1.00 0.00 C ATOM 812 NZ LYS A 56 1.947 -17.102 8.622 1.00 0.00 N ATOM 0 H LYS A 56 3.325 -12.584 5.925 1.00 0.00 H new ATOM 0 HA LYS A 56 5.603 -13.896 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.429 -14.379 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.913 -15.241 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.606 -16.699 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.209 -15.430 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.035 -15.631 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.435 -17.254 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.208 -15.052 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.748 -15.765 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.446 -16.893 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.540 -17.955 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.954 -17.263 8.824 1.00 0.00 H new ATOM 826 N ASP A 57 5.932 -12.521 3.940 1.00 0.00 N ATOM 827 CA ASP A 57 6.911 -12.107 2.940 1.00 0.00 C ATOM 828 C ASP A 57 8.036 -11.302 3.583 1.00 0.00 C ATOM 829 O ASP A 57 9.198 -11.705 3.549 1.00 0.00 O ATOM 830 CB ASP A 57 6.235 -11.279 1.846 1.00 0.00 C ATOM 831 CG ASP A 57 6.927 -11.418 0.505 1.00 0.00 C ATOM 832 OD1 ASP A 57 8.172 -11.324 0.467 1.00 0.00 O ATOM 833 OD2 ASP A 57 6.224 -11.620 -0.508 1.00 0.00 O ATOM 0 H ASP A 57 4.978 -12.216 3.748 1.00 0.00 H new ATOM 0 HA ASP A 57 7.340 -13.004 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.195 -11.590 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.227 -10.230 2.141 1.00 0.00 H new ATOM 838 N GLY A 58 7.683 -10.162 4.168 1.00 0.00 N ATOM 839 CA GLY A 58 8.675 -9.318 4.809 1.00 0.00 C ATOM 840 C GLY A 58 9.131 -8.180 3.918 1.00 0.00 C ATOM 841 O GLY A 58 9.501 -7.112 4.404 1.00 0.00 O ATOM 0 H GLY A 58 6.728 -9.807 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.260 -8.910 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.537 -9.924 5.089 1.00 0.00 H new ATOM 845 N ARG A 59 9.105 -8.409 2.609 1.00 0.00 N ATOM 846 CA ARG A 59 9.522 -7.395 1.648 1.00 0.00 C ATOM 847 C ARG A 59 8.992 -6.020 2.043 1.00 0.00 C ATOM 848 O ARG A 59 9.662 -5.005 1.848 1.00 0.00 O ATOM 849 CB ARG A 59 9.031 -7.759 0.245 1.00 0.00 C ATOM 850 CG ARG A 59 9.900 -8.791 -0.456 1.00 0.00 C ATOM 851 CD ARG A 59 9.586 -8.865 -1.942 1.00 0.00 C ATOM 852 NE ARG A 59 8.677 -9.964 -2.255 1.00 0.00 N ATOM 853 CZ ARG A 59 8.476 -10.424 -3.485 1.00 0.00 C ATOM 854 NH1 ARG A 59 9.117 -9.882 -4.512 1.00 0.00 N ATOM 855 NH2 ARG A 59 7.632 -11.427 -3.690 1.00 0.00 N ATOM 0 H ARG A 59 8.800 -9.287 2.190 1.00 0.00 H new ATOM 0 HA ARG A 59 10.611 -7.358 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.012 -8.141 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.993 -6.855 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.951 -8.538 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.745 -9.769 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.142 -7.924 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.512 -8.990 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 59 8.168 -10.403 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.766 -9.110 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.961 -10.237 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.137 -11.846 -2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.478 -11.779 -4.635 1.00 0.00 H new ATOM 869 N LEU A 60 7.786 -5.995 2.600 1.00 0.00 N ATOM 870 CA LEU A 60 7.165 -4.744 3.023 1.00 0.00 C ATOM 871 C LEU A 60 7.380 -4.507 4.514 1.00 0.00 C ATOM 872 O LEU A 60 8.087 -5.264 5.179 1.00 0.00 O ATOM 873 CB LEU A 60 5.668 -4.764 2.708 1.00 0.00 C ATOM 874 CG LEU A 60 5.294 -4.784 1.226 1.00 0.00 C ATOM 875 CD1 LEU A 60 5.904 -3.592 0.505 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.742 -6.087 0.580 1.00 0.00 C ATOM 0 H LEU A 60 7.219 -6.826 2.769 1.00 0.00 H new ATOM 0 HA LEU A 60 7.635 -3.929 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.229 -5.640 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.209 -3.888 3.166 1.00 0.00 H new ATOM 0 HG LEU A 60 4.209 -4.716 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.627 -3.623 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.533 -2.669 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.990 -3.628 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.467 -6.083 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.823 -6.186 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.256 -6.926 1.078 1.00 0.00 H new ATOM 888 N LYS A 61 6.763 -3.451 5.035 1.00 0.00 N ATOM 889 CA LYS A 61 6.883 -3.115 6.448 1.00 0.00 C ATOM 890 C LYS A 61 6.147 -1.816 6.763 1.00 0.00 C ATOM 891 O LYS A 61 5.832 -1.023 5.876 1.00 0.00 O ATOM 892 CB LYS A 61 8.357 -2.986 6.840 1.00 0.00 C ATOM 893 CG LYS A 61 8.877 -4.162 7.647 1.00 0.00 C ATOM 894 CD LYS A 61 9.826 -3.710 8.744 1.00 0.00 C ATOM 895 CE LYS A 61 10.716 -4.849 9.216 1.00 0.00 C ATOM 896 NZ LYS A 61 10.355 -5.303 10.588 1.00 0.00 N ATOM 0 H LYS A 61 6.175 -2.813 4.499 1.00 0.00 H new ATOM 0 HA LYS A 61 6.429 -3.919 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.957 -2.883 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.492 -2.072 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.038 -4.700 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.390 -4.860 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.445 -2.892 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.252 -3.322 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.633 -5.686 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.757 -4.526 9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.984 -6.080 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.459 -4.511 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.369 -5.635 10.596 1.00 0.00 H new ATOM 910 N PRO A 62 5.867 -1.592 8.055 1.00 0.00 N ATOM 911 CA PRO A 62 5.166 -0.390 8.516 1.00 0.00 C ATOM 912 C PRO A 62 6.021 0.866 8.383 1.00 0.00 C ATOM 913 O PRO A 62 7.206 0.860 8.713 1.00 0.00 O ATOM 914 CB PRO A 62 4.882 -0.688 9.990 1.00 0.00 C ATOM 915 CG PRO A 62 5.933 -1.666 10.389 1.00 0.00 C ATOM 916 CD PRO A 62 6.212 -2.495 9.166 1.00 0.00 C ATOM 0 HA PRO A 62 4.271 -0.189 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.934 0.218 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.883 -1.103 10.124 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.834 -1.154 10.728 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.592 -2.291 11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.256 -2.806 9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.608 -3.402 9.149 1.00 0.00 H new ATOM 924 N GLY A 63 5.411 1.943 7.896 1.00 0.00 N ATOM 925 CA GLY A 63 6.132 3.191 7.728 1.00 0.00 C ATOM 926 C GLY A 63 6.313 3.564 6.270 1.00 0.00 C ATOM 927 O GLY A 63 6.584 4.720 5.947 1.00 0.00 O ATOM 0 H GLY A 63 4.431 1.973 7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.595 3.989 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.110 3.109 8.203 1.00 0.00 H new ATOM 931 N ASP A 64 6.166 2.582 5.388 1.00 0.00 N ATOM 932 CA ASP A 64 6.316 2.812 3.955 1.00 0.00 C ATOM 933 C ASP A 64 5.088 3.515 3.386 1.00 0.00 C ATOM 934 O ASP A 64 3.978 3.350 3.891 1.00 0.00 O ATOM 935 CB ASP A 64 6.545 1.488 3.225 1.00 0.00 C ATOM 936 CG ASP A 64 7.908 1.419 2.564 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.245 2.351 1.804 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.636 0.434 2.805 1.00 0.00 O ATOM 0 H ASP A 64 5.943 1.619 5.639 1.00 0.00 H new ATOM 0 HA ASP A 64 7.183 3.455 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.445 0.665 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.771 1.355 2.469 1.00 0.00 H new ATOM 943 N GLN A 65 5.296 4.300 2.334 1.00 0.00 N ATOM 944 CA GLN A 65 4.206 5.029 1.698 1.00 0.00 C ATOM 945 C GLN A 65 3.601 4.218 0.557 1.00 0.00 C ATOM 946 O GLN A 65 4.268 3.935 -0.439 1.00 0.00 O ATOM 947 CB GLN A 65 4.703 6.377 1.173 1.00 0.00 C ATOM 948 CG GLN A 65 3.708 7.510 1.367 1.00 0.00 C ATOM 949 CD GLN A 65 3.696 8.482 0.203 1.00 0.00 C ATOM 950 OE1 GLN A 65 2.837 8.223 -0.776 1.00 0.00 O flip ATOM 951 NE2 GLN A 65 4.452 9.454 0.183 1.00 0.00 N flip ATOM 0 H GLN A 65 6.209 4.447 1.904 1.00 0.00 H new ATOM 0 HA GLN A 65 3.433 5.201 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.635 6.633 1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.931 6.282 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.709 7.093 1.498 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.951 8.049 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.096 9.615 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.434 10.098 -0.608 1.00 0.00 H new ATOM 960 N LEU A 66 2.334 3.847 0.708 1.00 0.00 N ATOM 961 CA LEU A 66 1.638 3.068 -0.310 1.00 0.00 C ATOM 962 C LEU A 66 1.307 3.930 -1.524 1.00 0.00 C ATOM 963 O LEU A 66 1.159 5.147 -1.413 1.00 0.00 O ATOM 964 CB LEU A 66 0.356 2.466 0.268 1.00 0.00 C ATOM 965 CG LEU A 66 0.528 1.204 1.113 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.782 0.830 1.787 1.00 0.00 C ATOM 967 CD2 LEU A 66 1.036 0.053 0.256 1.00 0.00 C ATOM 0 H LEU A 66 1.768 4.073 1.526 1.00 0.00 H new ATOM 0 HA LEU A 66 2.298 2.262 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.134 3.224 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.318 2.237 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 66 1.267 1.408 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.640 -0.071 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.105 1.646 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.542 0.646 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.153 -0.837 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.321 -0.150 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.999 0.321 -0.179 1.00 0.00 H new ATOM 979 N VAL A 67 1.190 3.290 -2.683 1.00 0.00 N ATOM 980 CA VAL A 67 0.873 3.998 -3.918 1.00 0.00 C ATOM 981 C VAL A 67 -0.421 3.477 -4.533 1.00 0.00 C ATOM 982 O VAL A 67 -1.216 4.245 -5.074 1.00 0.00 O ATOM 983 CB VAL A 67 2.009 3.863 -4.950 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.536 4.306 -6.326 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.225 4.666 -4.511 1.00 0.00 C ATOM 0 H VAL A 67 1.310 2.283 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 67 0.751 5.049 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 67 2.298 2.814 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.352 4.204 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.698 3.684 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.219 5.348 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.018 4.560 -5.251 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.953 5.718 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.576 4.297 -3.547 1.00 0.00 H new ATOM 995 N SER A 68 -0.626 2.167 -4.445 1.00 0.00 N ATOM 996 CA SER A 68 -1.823 1.542 -4.996 1.00 0.00 C ATOM 997 C SER A 68 -1.794 0.031 -4.784 1.00 0.00 C ATOM 998 O SER A 68 -0.743 -0.602 -4.894 1.00 0.00 O ATOM 999 CB SER A 68 -1.948 1.857 -6.488 1.00 0.00 C ATOM 1000 OG SER A 68 -0.684 1.810 -7.127 1.00 0.00 O ATOM 0 H SER A 68 0.021 1.518 -3.998 1.00 0.00 H new ATOM 0 HA SER A 68 -2.689 1.948 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.623 1.142 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.388 2.845 -6.619 1.00 0.00 H new ATOM 0 HG SER A 68 -0.791 2.013 -8.080 1.00 0.00 H new ATOM 1006 N ILE A 69 -2.954 -0.540 -4.479 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.063 -1.975 -4.253 1.00 0.00 C ATOM 1008 C ILE A 69 -4.072 -2.608 -5.205 1.00 0.00 C ATOM 1009 O ILE A 69 -5.164 -2.080 -5.408 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.478 -2.287 -2.803 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -2.364 -1.886 -1.833 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -3.812 -3.764 -2.653 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -2.740 -2.055 -0.378 1.00 0.00 C ATOM 0 H ILE A 69 -3.832 -0.030 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.076 -2.398 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.369 -1.707 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.478 -2.485 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.095 -0.845 -2.012 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.103 -3.968 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.635 -4.021 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.938 -4.363 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.903 -1.752 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.607 -1.435 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.981 -3.100 -0.183 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.697 -3.743 -5.787 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.570 -4.449 -6.718 1.00 0.00 C ATOM 1027 C ASN A 70 -4.730 -3.663 -8.016 1.00 0.00 C ATOM 1028 O ASN A 70 -4.235 -4.070 -9.067 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.941 -4.689 -6.082 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.853 -4.902 -4.583 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.102 -5.918 -4.173 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -6.453 -4.163 -3.803 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.795 -4.193 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.111 -5.410 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.588 -3.837 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.405 -5.561 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.019 -3.394 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.384 -4.319 -2.797 1.00 0.00 H new ATOM 1039 N LYS A 71 -5.426 -2.533 -7.935 1.00 0.00 N ATOM 1040 CA LYS A 71 -5.651 -1.688 -9.101 1.00 0.00 C ATOM 1041 C LYS A 71 -6.398 -0.415 -8.715 1.00 0.00 C ATOM 1042 O LYS A 71 -7.220 0.089 -9.480 1.00 0.00 O ATOM 1043 CB LYS A 71 -6.440 -2.452 -10.166 1.00 0.00 C ATOM 1044 CG LYS A 71 -7.829 -2.866 -9.713 1.00 0.00 C ATOM 1045 CD LYS A 71 -8.903 -2.327 -10.644 1.00 0.00 C ATOM 1046 CE LYS A 71 -10.273 -2.893 -10.302 1.00 0.00 C ATOM 1047 NZ LYS A 71 -11.190 -1.845 -9.774 1.00 0.00 N ATOM 0 H LYS A 71 -5.844 -2.182 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.679 -1.409 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.528 -1.830 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.880 -3.342 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.891 -3.954 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.007 -2.501 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.931 -1.239 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.652 -2.577 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.712 -3.345 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.164 -3.686 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.113 -2.271 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.784 -1.431 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.315 -1.100 -10.489 1.00 0.00 H new ATOM 1061 N GLU A 72 -6.106 0.099 -7.524 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.751 1.313 -7.038 1.00 0.00 C ATOM 1063 C GLU A 72 -5.717 2.395 -6.736 1.00 0.00 C ATOM 1064 O GLU A 72 -4.521 2.203 -6.955 1.00 0.00 O ATOM 1065 CB GLU A 72 -7.573 1.013 -5.783 1.00 0.00 C ATOM 1066 CG GLU A 72 -8.968 0.491 -6.080 1.00 0.00 C ATOM 1067 CD GLU A 72 -10.021 1.581 -6.034 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -9.723 2.713 -6.466 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -11.145 1.300 -5.566 1.00 0.00 O ATOM 0 H GLU A 72 -5.428 -0.306 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.416 1.679 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.041 0.279 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.654 1.921 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.975 0.025 -7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.223 -0.285 -5.359 1.00 0.00 H new ATOM 1076 N SER A 73 -6.188 3.531 -6.233 1.00 0.00 N ATOM 1077 CA SER A 73 -5.307 4.645 -5.905 1.00 0.00 C ATOM 1078 C SER A 73 -5.169 4.802 -4.394 1.00 0.00 C ATOM 1079 O SER A 73 -6.141 4.659 -3.653 1.00 0.00 O ATOM 1080 CB SER A 73 -5.840 5.942 -6.517 1.00 0.00 C ATOM 1081 OG SER A 73 -4.808 6.656 -7.177 1.00 0.00 O ATOM 0 H SER A 73 -7.175 3.704 -6.044 1.00 0.00 H new ATOM 0 HA SER A 73 -4.323 4.432 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.638 5.713 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.275 6.565 -5.735 1.00 0.00 H new ATOM 0 HG SER A 73 -5.174 7.480 -7.561 1.00 0.00 H new ATOM 1087 N MET A 74 -3.954 5.097 -3.944 1.00 0.00 N ATOM 1088 CA MET A 74 -3.688 5.275 -2.522 1.00 0.00 C ATOM 1089 C MET A 74 -3.212 6.694 -2.230 1.00 0.00 C ATOM 1090 O MET A 74 -3.429 7.220 -1.138 1.00 0.00 O ATOM 1091 CB MET A 74 -2.640 4.266 -2.047 1.00 0.00 C ATOM 1092 CG MET A 74 -3.230 2.930 -1.625 1.00 0.00 C ATOM 1093 SD MET A 74 -3.793 2.929 0.088 1.00 0.00 S ATOM 1094 CE MET A 74 -4.657 1.362 0.159 1.00 0.00 C ATOM 0 H MET A 74 -3.138 5.218 -4.544 1.00 0.00 H new ATOM 0 HA MET A 74 -4.619 5.105 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.919 4.099 -2.848 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.091 4.693 -1.208 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.067 2.684 -2.279 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.482 2.149 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.768 1.055 1.199 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.642 1.469 -0.295 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.087 0.607 -0.383 1.00 0.00 H new ATOM 1104 N ILE A 75 -2.563 7.309 -3.213 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.057 8.668 -3.062 1.00 0.00 C ATOM 1106 C ILE A 75 -3.198 9.680 -3.045 1.00 0.00 C ATOM 1107 O ILE A 75 -4.050 9.685 -3.932 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.078 9.034 -4.192 1.00 0.00 C ATOM 1109 CG1 ILE A 75 0.087 8.043 -4.228 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -0.566 10.455 -4.010 1.00 0.00 C ATOM 1111 CD1 ILE A 75 0.892 8.010 -2.948 1.00 0.00 C ATOM 0 H ILE A 75 -2.375 6.888 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.528 8.704 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.607 8.978 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.302 7.045 -4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.747 8.301 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.125 10.699 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.406 11.150 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.050 10.536 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.701 7.286 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.311 8.998 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.245 7.722 -2.119 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.206 10.538 -2.029 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.246 11.544 -1.916 1.00 0.00 C ATOM 1125 C GLY A 76 -5.636 10.942 -1.900 1.00 0.00 C ATOM 1126 O GLY A 76 -6.505 11.346 -2.673 1.00 0.00 O ATOM 0 H GLY A 76 -2.511 10.554 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.092 12.120 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.165 12.241 -2.750 1.00 0.00 H new ATOM 1130 N VAL A 77 -5.849 9.971 -1.017 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.144 9.310 -0.904 1.00 0.00 C ATOM 1132 C VAL A 77 -7.658 9.352 0.531 1.00 0.00 C ATOM 1133 O VAL A 77 -6.923 9.701 1.455 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.069 7.844 -1.368 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -6.612 6.946 -0.229 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -8.415 7.388 -1.910 1.00 0.00 C ATOM 0 H VAL A 77 -5.141 9.625 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.834 9.852 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.336 7.772 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.565 5.914 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.625 7.261 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.318 7.019 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.344 6.350 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.170 7.474 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.697 8.013 -2.757 1.00 0.00 H new ATOM 1146 N SER A 78 -8.925 8.994 0.710 1.00 0.00 N ATOM 1147 CA SER A 78 -9.540 8.993 2.032 1.00 0.00 C ATOM 1148 C SER A 78 -9.137 7.749 2.818 1.00 0.00 C ATOM 1149 O SER A 78 -9.151 6.636 2.291 1.00 0.00 O ATOM 1150 CB SER A 78 -11.063 9.061 1.910 1.00 0.00 C ATOM 1151 OG SER A 78 -11.529 10.389 2.077 1.00 0.00 O ATOM 0 H SER A 78 -9.546 8.701 -0.044 1.00 0.00 H new ATOM 0 HA SER A 78 -9.186 9.872 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.370 8.684 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.520 8.415 2.659 1.00 0.00 H new ATOM 0 HG SER A 78 -12.505 10.406 1.993 1.00 0.00 H new ATOM 1157 N PHE A 79 -8.778 7.946 4.082 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.369 6.842 4.942 1.00 0.00 C ATOM 1159 C PHE A 79 -9.289 5.638 4.756 1.00 0.00 C ATOM 1160 O PHE A 79 -8.834 4.539 4.442 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.374 7.280 6.408 1.00 0.00 C ATOM 1162 CG PHE A 79 -8.084 6.162 7.369 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -6.912 5.430 7.267 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -8.983 5.844 8.374 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -6.643 4.401 8.149 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -8.720 4.816 9.259 1.00 0.00 C ATOM 1167 CZ PHE A 79 -7.548 4.094 9.147 1.00 0.00 C ATOM 0 H PHE A 79 -8.762 8.860 4.534 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.357 6.551 4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.634 8.068 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.346 7.711 6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.201 5.666 6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.900 6.406 8.467 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.726 3.837 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.430 4.577 10.037 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.339 3.291 9.838 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.586 5.856 4.953 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.569 4.790 4.808 1.00 0.00 C ATOM 1179 C GLU A 80 -11.441 4.113 3.447 1.00 0.00 C ATOM 1180 O GLU A 80 -11.546 2.891 3.338 1.00 0.00 O ATOM 1181 CB GLU A 80 -12.985 5.344 4.984 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.187 6.097 6.288 1.00 0.00 C ATOM 1183 CD GLU A 80 -14.438 6.953 6.280 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -14.412 8.036 5.658 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -15.444 6.540 6.894 1.00 0.00 O ATOM 0 H GLU A 80 -10.979 6.760 5.213 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.379 4.047 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.212 6.010 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.697 4.520 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.245 5.383 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.320 6.730 6.476 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.215 4.916 2.412 1.00 0.00 N ATOM 1193 CA GLU A 81 -11.074 4.394 1.058 1.00 0.00 C ATOM 1194 C GLU A 81 -9.885 3.442 0.962 1.00 0.00 C ATOM 1195 O GLU A 81 -10.053 2.245 0.730 1.00 0.00 O ATOM 1196 CB GLU A 81 -10.903 5.542 0.060 1.00 0.00 C ATOM 1197 CG GLU A 81 -11.875 5.484 -1.106 1.00 0.00 C ATOM 1198 CD GLU A 81 -13.180 6.200 -0.814 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -13.899 5.766 0.110 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -13.481 7.192 -1.510 1.00 0.00 O ATOM 0 H GLU A 81 -11.126 5.929 2.485 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.981 3.841 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.032 6.489 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.884 5.528 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.409 5.930 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.083 4.442 -1.349 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.685 3.983 1.142 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.469 3.182 1.078 1.00 0.00 C ATOM 1209 C ALA A 82 -7.618 1.891 1.876 1.00 0.00 C ATOM 1210 O ALA A 82 -7.122 0.839 1.473 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.281 3.985 1.588 1.00 0.00 C ATOM 0 H ALA A 82 -8.529 4.973 1.333 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.294 2.916 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.379 3.375 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.153 4.876 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.458 4.280 2.622 1.00 0.00 H new ATOM 1217 N LYS A 83 -8.305 1.979 3.010 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.521 0.818 3.866 1.00 0.00 C ATOM 1219 C LYS A 83 -9.590 -0.098 3.279 1.00 0.00 C ATOM 1220 O LYS A 83 -9.487 -1.322 3.363 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.930 1.263 5.271 1.00 0.00 C ATOM 1222 CG LYS A 83 -8.130 0.598 6.378 1.00 0.00 C ATOM 1223 CD LYS A 83 -8.980 0.358 7.614 1.00 0.00 C ATOM 1224 CE LYS A 83 -8.121 0.043 8.829 1.00 0.00 C ATOM 1225 NZ LYS A 83 -8.928 -0.019 10.078 1.00 0.00 N ATOM 0 H LYS A 83 -8.722 2.842 3.358 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.585 0.263 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.813 2.344 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.988 1.046 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.731 -0.351 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.277 1.225 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.588 1.240 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.668 -0.467 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.613 -0.909 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.347 0.804 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.306 -0.236 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.393 0.898 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.650 -0.762 9.988 1.00 0.00 H new ATOM 1239 N SER A 84 -10.616 0.502 2.684 1.00 0.00 N ATOM 1240 CA SER A 84 -11.705 -0.261 2.086 1.00 0.00 C ATOM 1241 C SER A 84 -11.205 -1.091 0.908 1.00 0.00 C ATOM 1242 O SER A 84 -11.509 -2.279 0.798 1.00 0.00 O ATOM 1243 CB SER A 84 -12.821 0.679 1.625 1.00 0.00 C ATOM 1244 OG SER A 84 -14.020 -0.034 1.377 1.00 0.00 O ATOM 0 H SER A 84 -10.716 1.514 2.603 1.00 0.00 H new ATOM 0 HA SER A 84 -12.099 -0.939 2.843 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.997 1.439 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.511 1.200 0.719 1.00 0.00 H new ATOM 0 HG SER A 84 -14.717 0.590 1.086 1.00 0.00 H new ATOM 1250 N ILE A 85 -10.436 -0.456 0.030 1.00 0.00 N ATOM 1251 CA ILE A 85 -9.892 -1.135 -1.140 1.00 0.00 C ATOM 1252 C ILE A 85 -9.301 -2.490 -0.763 1.00 0.00 C ATOM 1253 O ILE A 85 -9.625 -3.510 -1.372 1.00 0.00 O ATOM 1254 CB ILE A 85 -8.805 -0.288 -1.828 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -9.415 0.992 -2.404 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -8.119 -1.093 -2.921 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.589 2.230 -2.133 1.00 0.00 C ATOM 0 H ILE A 85 -10.176 0.527 0.106 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.720 -1.282 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.057 -0.010 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.536 0.874 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.411 1.131 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.354 -0.481 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.656 -1.978 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.855 -1.398 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.081 3.099 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.489 2.372 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.600 2.112 -2.577 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.435 -2.492 0.245 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.802 -3.722 0.704 1.00 0.00 C ATOM 1271 C ILE A 86 -8.843 -4.742 1.153 1.00 0.00 C ATOM 1272 O ILE A 86 -8.978 -5.812 0.559 1.00 0.00 O ATOM 1273 CB ILE A 86 -6.828 -3.454 1.866 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -5.644 -2.614 1.384 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.345 -4.766 2.466 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -5.146 -1.625 2.415 1.00 0.00 C ATOM 0 H ILE A 86 -8.156 -1.656 0.759 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.244 -4.124 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.354 -2.895 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.826 -3.279 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.935 -2.073 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.657 -4.560 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.199 -5.330 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.833 -5.349 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.306 -1.064 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.949 -0.936 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.823 -2.161 3.307 1.00 0.00 H new ATOM 1288 N THR A 87 -9.580 -4.403 2.206 1.00 0.00 N ATOM 1289 CA THR A 87 -10.610 -5.288 2.735 1.00 0.00 C ATOM 1290 C THR A 87 -11.689 -5.561 1.693 1.00 0.00 C ATOM 1291 O THR A 87 -12.487 -6.486 1.841 1.00 0.00 O ATOM 1292 CB THR A 87 -11.269 -4.693 3.995 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.317 -5.555 4.453 1.00 0.00 O ATOM 1294 CG2 THR A 87 -11.832 -3.309 3.709 1.00 0.00 C ATOM 0 H THR A 87 -9.483 -3.521 2.709 1.00 0.00 H new ATOM 0 HA THR A 87 -10.117 -6.224 2.998 1.00 0.00 H new ATOM 0 HB THR A 87 -10.507 -4.605 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.552 -6.189 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.292 -2.909 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.027 -2.648 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.581 -3.377 2.920 1.00 0.00 H new ATOM 1302 N ARG A 88 -11.705 -4.752 0.639 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.686 -4.907 -0.428 1.00 0.00 C ATOM 1304 C ARG A 88 -12.174 -5.862 -1.503 1.00 0.00 C ATOM 1305 O ARG A 88 -12.951 -6.397 -2.293 1.00 0.00 O ATOM 1306 CB ARG A 88 -13.013 -3.549 -1.051 1.00 0.00 C ATOM 1307 CG ARG A 88 -13.943 -2.697 -0.202 1.00 0.00 C ATOM 1308 CD ARG A 88 -15.341 -2.636 -0.798 1.00 0.00 C ATOM 1309 NE ARG A 88 -16.218 -3.663 -0.243 1.00 0.00 N ATOM 1310 CZ ARG A 88 -16.752 -3.596 0.971 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -16.501 -2.555 1.753 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -17.541 -4.571 1.405 1.00 0.00 N ATOM 0 H ARG A 88 -11.050 -3.983 0.501 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.593 -5.328 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.085 -3.003 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.470 -3.708 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.994 -3.106 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.538 -1.689 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.772 -1.652 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.280 -2.758 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.432 -4.477 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.896 -1.803 1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.913 -2.506 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.738 -5.373 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.951 -4.519 2.338 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.862 -6.069 -1.526 1.00 0.00 N ATOM 1327 CA ALA A 89 -10.246 -6.960 -2.502 1.00 0.00 C ATOM 1328 C ALA A 89 -10.997 -8.284 -2.586 1.00 0.00 C ATOM 1329 O ALA A 89 -11.777 -8.626 -1.697 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.786 -7.200 -2.149 1.00 0.00 C ATOM 0 H ALA A 89 -10.205 -5.632 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.298 -6.480 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.338 -7.867 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.251 -6.250 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.721 -7.655 -1.161 1.00 0.00 H new ATOM 1336 N LYS A 90 -10.758 -9.027 -3.662 1.00 0.00 N ATOM 1337 CA LYS A 90 -11.411 -10.315 -3.864 1.00 0.00 C ATOM 1338 C LYS A 90 -10.847 -11.365 -2.913 1.00 0.00 C ATOM 1339 O LYS A 90 -11.507 -12.360 -2.609 1.00 0.00 O ATOM 1340 CB LYS A 90 -11.236 -10.777 -5.312 1.00 0.00 C ATOM 1341 CG LYS A 90 -12.262 -10.189 -6.266 1.00 0.00 C ATOM 1342 CD LYS A 90 -13.340 -11.200 -6.619 1.00 0.00 C ATOM 1343 CE LYS A 90 -14.729 -10.664 -6.310 1.00 0.00 C ATOM 1344 NZ LYS A 90 -15.767 -11.729 -6.399 1.00 0.00 N ATOM 0 H LYS A 90 -10.116 -8.759 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.474 -10.193 -3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.237 -10.505 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.300 -11.865 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.721 -9.311 -5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.764 -9.854 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.273 -11.451 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.172 -12.122 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.737 -10.232 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.972 -9.861 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.700 -11.324 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.777 -12.125 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.550 -12.483 -5.717 1.00 0.00 H new ATOM 1358 N LEU A 91 -9.625 -11.138 -2.445 1.00 0.00 N ATOM 1359 CA LEU A 91 -8.972 -12.065 -1.526 1.00 0.00 C ATOM 1360 C LEU A 91 -9.510 -13.480 -1.707 1.00 0.00 C ATOM 1361 O LEU A 91 -10.033 -14.081 -0.769 1.00 0.00 O ATOM 1362 CB LEU A 91 -9.179 -11.610 -0.080 1.00 0.00 C ATOM 1363 CG LEU A 91 -10.504 -10.909 0.221 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -11.336 -11.735 1.190 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -10.256 -9.516 0.780 1.00 0.00 C ATOM 0 H LEU A 91 -9.066 -10.320 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.905 -12.070 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.097 -12.482 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.365 -10.936 0.187 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.061 -10.810 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.275 -11.221 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.544 -12.711 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.786 -11.866 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.210 -9.032 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.679 -9.591 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.701 -8.925 0.051 1.00 0.00 H new ATOM 1377 N ARG A 92 -9.377 -14.008 -2.920 1.00 0.00 N ATOM 1378 CA ARG A 92 -9.848 -15.353 -3.224 1.00 0.00 C ATOM 1379 C ARG A 92 -9.611 -15.694 -4.692 1.00 0.00 C ATOM 1380 O ARG A 92 -10.451 -16.319 -5.339 1.00 0.00 O ATOM 1381 CB ARG A 92 -11.336 -15.482 -2.894 1.00 0.00 C ATOM 1382 CG ARG A 92 -11.730 -16.857 -2.378 1.00 0.00 C ATOM 1383 CD ARG A 92 -12.740 -17.527 -3.295 1.00 0.00 C ATOM 1384 NE ARG A 92 -13.774 -18.236 -2.545 1.00 0.00 N ATOM 1385 CZ ARG A 92 -14.763 -18.914 -3.117 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -14.852 -18.974 -4.439 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -15.665 -19.533 -2.367 1.00 0.00 N ATOM 0 H ARG A 92 -8.947 -13.524 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.284 -16.055 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.600 -14.734 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.918 -15.258 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.842 -17.483 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.151 -16.764 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.206 -16.775 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.224 -18.227 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.734 -18.209 -1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.160 -18.499 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.612 -19.495 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.600 -19.489 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.424 -20.053 -2.807 1.00 0.00 H new ATOM 1401 N SER A 93 -8.460 -15.278 -5.212 1.00 0.00 N ATOM 1402 CA SER A 93 -8.114 -15.535 -6.605 1.00 0.00 C ATOM 1403 C SER A 93 -6.694 -16.081 -6.720 1.00 0.00 C ATOM 1404 O SER A 93 -5.910 -16.005 -5.774 1.00 0.00 O ATOM 1405 CB SER A 93 -8.248 -14.254 -7.431 1.00 0.00 C ATOM 1406 OG SER A 93 -9.146 -14.436 -8.512 1.00 0.00 O ATOM 0 H SER A 93 -7.752 -14.762 -4.690 1.00 0.00 H new ATOM 0 HA SER A 93 -8.805 -16.283 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.600 -13.442 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.270 -13.959 -7.812 1.00 0.00 H new ATOM 0 HG SER A 93 -9.216 -13.603 -9.023 1.00 0.00 H new ATOM 1412 N GLU A 94 -6.370 -16.630 -7.886 1.00 0.00 N ATOM 1413 CA GLU A 94 -5.045 -17.190 -8.125 1.00 0.00 C ATOM 1414 C GLU A 94 -3.990 -16.088 -8.172 1.00 0.00 C ATOM 1415 O GLU A 94 -2.944 -16.188 -7.530 1.00 0.00 O ATOM 1416 CB GLU A 94 -5.029 -17.982 -9.434 1.00 0.00 C ATOM 1417 CG GLU A 94 -4.811 -19.473 -9.240 1.00 0.00 C ATOM 1418 CD GLU A 94 -4.893 -20.249 -10.540 1.00 0.00 C ATOM 1419 OE1 GLU A 94 -4.556 -19.675 -11.596 1.00 0.00 O ATOM 1420 OE2 GLU A 94 -5.295 -21.431 -10.501 1.00 0.00 O ATOM 0 H GLU A 94 -7.007 -16.699 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.809 -17.862 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.974 -17.826 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.242 -17.589 -10.077 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.835 -19.637 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.556 -19.858 -8.544 1.00 0.00 H new ATOM 1427 N SER A 95 -4.272 -15.039 -8.937 1.00 0.00 N ATOM 1428 CA SER A 95 -3.347 -13.920 -9.073 1.00 0.00 C ATOM 1429 C SER A 95 -2.889 -13.425 -7.704 1.00 0.00 C ATOM 1430 O SER A 95 -3.677 -13.298 -6.766 1.00 0.00 O ATOM 1431 CB SER A 95 -4.005 -12.777 -9.847 1.00 0.00 C ATOM 1432 OG SER A 95 -4.826 -13.274 -10.890 1.00 0.00 O ATOM 0 H SER A 95 -5.134 -14.940 -9.473 1.00 0.00 H new ATOM 0 HA SER A 95 -2.474 -14.268 -9.626 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.603 -12.170 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.237 -12.126 -10.264 1.00 0.00 H new ATOM 0 HG SER A 95 -5.237 -12.524 -11.369 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.585 -13.138 -7.585 1.00 0.00 N ATOM 1439 CA PRO A 96 -0.992 -12.652 -6.335 1.00 0.00 C ATOM 1440 C PRO A 96 -1.435 -11.232 -5.998 1.00 0.00 C ATOM 1441 O PRO A 96 -2.300 -10.667 -6.666 1.00 0.00 O ATOM 1442 CB PRO A 96 0.512 -12.690 -6.618 1.00 0.00 C ATOM 1443 CG PRO A 96 0.622 -12.572 -8.099 1.00 0.00 C ATOM 1444 CD PRO A 96 -0.588 -13.267 -8.661 1.00 0.00 C ATOM 0 HA PRO A 96 -1.294 -13.255 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.030 -11.873 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.959 -13.618 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.649 -11.527 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.541 -13.034 -8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.929 -12.797 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.380 -14.311 -8.893 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.836 -10.663 -4.958 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.170 -9.308 -4.532 1.00 0.00 C ATOM 1454 C TRP A 97 -0.213 -8.293 -5.148 1.00 0.00 C ATOM 1455 O TRP A 97 1.005 -8.436 -5.048 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.128 -9.206 -3.007 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.303 -9.852 -2.336 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -2.269 -10.856 -1.411 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.685 -9.540 -2.542 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.547 -11.186 -1.028 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.434 -10.392 -1.707 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.363 -8.621 -3.348 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.825 -10.353 -1.658 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.744 -8.584 -3.298 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.463 -9.444 -2.458 1.00 0.00 C ATOM 0 H TRP A 97 -0.118 -11.118 -4.395 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.180 -9.084 -4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.211 -9.670 -2.644 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.088 -8.155 -2.721 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.370 -11.322 -1.036 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.795 -11.905 -0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.818 -7.952 -3.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.381 -11.016 -1.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.278 -7.879 -3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.541 -9.389 -2.441 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.772 -7.268 -5.784 1.00 0.00 N ATOM 1477 CA GLU A 98 0.034 -6.231 -6.416 1.00 0.00 C ATOM 1478 C GLU A 98 0.320 -5.094 -5.438 1.00 0.00 C ATOM 1479 O GLU A 98 -0.540 -4.253 -5.179 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.678 -5.685 -7.655 1.00 0.00 C ATOM 1481 CG GLU A 98 0.197 -4.789 -8.515 1.00 0.00 C ATOM 1482 CD GLU A 98 -0.526 -3.542 -8.983 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -1.725 -3.642 -9.318 1.00 0.00 O ATOM 1484 OE2 GLU A 98 0.107 -2.466 -9.016 1.00 0.00 O ATOM 0 H GLU A 98 -1.779 -7.134 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 98 0.982 -6.676 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.031 -6.521 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.558 -5.125 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.082 -4.500 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.543 -5.351 -9.383 1.00 0.00 H new ATOM 1491 N ILE A 99 1.535 -5.077 -4.900 1.00 0.00 N ATOM 1492 CA ILE A 99 1.936 -4.045 -3.952 1.00 0.00 C ATOM 1493 C ILE A 99 2.799 -2.984 -4.627 1.00 0.00 C ATOM 1494 O ILE A 99 3.851 -3.291 -5.188 1.00 0.00 O ATOM 1495 CB ILE A 99 2.711 -4.642 -2.763 1.00 0.00 C ATOM 1496 CG1 ILE A 99 2.223 -6.062 -2.470 1.00 0.00 C ATOM 1497 CG2 ILE A 99 2.557 -3.759 -1.533 1.00 0.00 C ATOM 1498 CD1 ILE A 99 0.776 -6.127 -2.034 1.00 0.00 C ATOM 0 H ILE A 99 2.259 -5.766 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 99 1.020 -3.584 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 99 3.768 -4.687 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.352 -6.673 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.848 -6.499 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.110 -4.194 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.948 -2.764 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.502 -3.685 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.500 -7.164 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.644 -5.543 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.140 -5.721 -2.821 1.00 0.00 H new ATOM 1510 N ALA A 100 2.349 -1.735 -4.566 1.00 0.00 N ATOM 1511 CA ALA A 100 3.083 -0.629 -5.167 1.00 0.00 C ATOM 1512 C ALA A 100 3.378 0.458 -4.139 1.00 0.00 C ATOM 1513 O ALA A 100 2.463 1.085 -3.603 1.00 0.00 O ATOM 1514 CB ALA A 100 2.301 -0.052 -6.338 1.00 0.00 C ATOM 0 H ALA A 100 1.480 -1.464 -4.106 1.00 0.00 H new ATOM 0 HA ALA A 100 4.035 -1.014 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.861 0.773 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.146 -0.827 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.335 0.311 -5.987 1.00 0.00 H new ATOM 1520 N PHE A 101 4.660 0.675 -3.866 1.00 0.00 N ATOM 1521 CA PHE A 101 5.075 1.685 -2.899 1.00 0.00 C ATOM 1522 C PHE A 101 6.448 2.248 -3.257 1.00 0.00 C ATOM 1523 O PHE A 101 7.011 1.922 -4.302 1.00 0.00 O ATOM 1524 CB PHE A 101 5.107 1.091 -1.490 1.00 0.00 C ATOM 1525 CG PHE A 101 6.111 -0.014 -1.328 1.00 0.00 C ATOM 1526 CD1 PHE A 101 6.047 -1.148 -2.120 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.119 0.082 -0.382 1.00 0.00 C ATOM 1528 CE1 PHE A 101 6.970 -2.167 -1.974 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.045 -0.934 -0.231 1.00 0.00 C ATOM 1530 CZ PHE A 101 7.969 -2.060 -1.028 1.00 0.00 C ATOM 0 H PHE A 101 5.429 0.165 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 101 4.349 2.498 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.332 1.883 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.116 0.710 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.266 -1.238 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.182 0.960 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.909 -3.045 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.827 -0.847 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.690 -2.855 -0.911 1.00 0.00 H new ATOM 1540 N ILE A 102 6.979 3.095 -2.382 1.00 0.00 N ATOM 1541 CA ILE A 102 8.285 3.703 -2.605 1.00 0.00 C ATOM 1542 C ILE A 102 9.331 3.120 -1.660 1.00 0.00 C ATOM 1543 O ILE A 102 9.257 3.305 -0.445 1.00 0.00 O ATOM 1544 CB ILE A 102 8.235 5.231 -2.417 1.00 0.00 C ATOM 1545 CG1 ILE A 102 7.246 5.856 -3.403 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.621 5.833 -2.595 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.840 5.974 -2.856 1.00 0.00 C ATOM 0 H ILE A 102 6.525 3.376 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 102 8.564 3.481 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 102 7.895 5.446 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.602 6.847 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.224 5.256 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.569 6.913 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.300 5.407 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.988 5.611 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.193 6.425 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.464 4.983 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.848 6.599 -1.963 1.00 0.00 H new ATOM 1559 N ARG A 103 10.307 2.418 -2.227 1.00 0.00 N ATOM 1560 CA ARG A 103 11.369 1.809 -1.436 1.00 0.00 C ATOM 1561 C ARG A 103 12.686 2.554 -1.628 1.00 0.00 C ATOM 1562 O ARG A 103 13.136 2.760 -2.755 1.00 0.00 O ATOM 1563 CB ARG A 103 11.542 0.338 -1.822 1.00 0.00 C ATOM 1564 CG ARG A 103 12.762 -0.317 -1.195 1.00 0.00 C ATOM 1565 CD ARG A 103 12.405 -1.035 0.097 1.00 0.00 C ATOM 1566 NE ARG A 103 12.631 -2.475 0.003 1.00 0.00 N ATOM 1567 CZ ARG A 103 12.612 -3.291 1.051 1.00 0.00 C ATOM 1568 NH1 ARG A 103 12.379 -2.812 2.265 1.00 0.00 N ATOM 1569 NH2 ARG A 103 12.826 -4.590 0.884 1.00 0.00 N ATOM 0 H ARG A 103 10.384 2.257 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 103 11.086 1.872 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.651 -0.214 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.617 0.262 -2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.198 -1.026 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.520 0.440 -0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.000 -0.627 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.359 -0.847 0.339 1.00 0.00 H new ATOM 0 HE ARG A 103 12.813 -2.876 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.214 -1.814 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.365 -3.441 3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.005 -4.962 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.811 -5.217 1.689 1.00 0.00 H new ATOM 1583 N SER A 104 13.299 2.957 -0.519 1.00 0.00 N ATOM 1584 CA SER A 104 14.562 3.684 -0.565 1.00 0.00 C ATOM 1585 C SER A 104 15.138 3.861 0.836 1.00 0.00 C ATOM 1586 O SER A 104 14.505 4.451 1.710 1.00 0.00 O ATOM 1587 CB SER A 104 14.365 5.051 -1.224 1.00 0.00 C ATOM 1588 OG SER A 104 15.150 5.170 -2.398 1.00 0.00 O ATOM 0 H SER A 104 12.941 2.792 0.422 1.00 0.00 H new ATOM 0 HA SER A 104 15.267 3.101 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.313 5.191 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.635 5.839 -0.521 1.00 0.00 H new ATOM 0 HG SER A 104 15.263 6.117 -2.622 1.00 0.00 H new ATOM 1594 N GLY A 105 16.346 3.344 1.042 1.00 0.00 N ATOM 1595 CA GLY A 105 16.989 3.454 2.338 1.00 0.00 C ATOM 1596 C GLY A 105 18.337 4.143 2.261 1.00 0.00 C ATOM 1597 O GLY A 105 18.882 4.366 1.179 1.00 0.00 O ATOM 0 H GLY A 105 16.890 2.851 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 105 16.340 4.008 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.117 2.458 2.762 1.00 0.00 H new ATOM 1601 N PRO A 106 18.896 4.493 3.429 1.00 0.00 N ATOM 1602 CA PRO A 106 20.195 5.166 3.515 1.00 0.00 C ATOM 1603 C PRO A 106 21.350 4.250 3.125 1.00 0.00 C ATOM 1604 O PRO A 106 22.517 4.608 3.277 1.00 0.00 O ATOM 1605 CB PRO A 106 20.296 5.555 4.992 1.00 0.00 C ATOM 1606 CG PRO A 106 19.427 4.575 5.702 1.00 0.00 C ATOM 1607 CD PRO A 106 18.302 4.257 4.756 1.00 0.00 C ATOM 0 HA PRO A 106 20.261 6.013 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.325 5.501 5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 106 19.956 6.577 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.985 3.675 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 106 19.047 4.994 6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.962 3.227 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 106 17.438 4.898 4.929 1.00 0.00 H new ATOM 1615 N SER A 107 21.016 3.066 2.621 1.00 0.00 N ATOM 1616 CA SER A 107 22.026 2.097 2.212 1.00 0.00 C ATOM 1617 C SER A 107 22.845 2.627 1.040 1.00 0.00 C ATOM 1618 O SER A 107 22.470 3.610 0.401 1.00 0.00 O ATOM 1619 CB SER A 107 21.365 0.771 1.830 1.00 0.00 C ATOM 1620 OG SER A 107 21.049 0.008 2.981 1.00 0.00 O ATOM 0 H SER A 107 20.054 2.755 2.486 1.00 0.00 H new ATOM 0 HA SER A 107 22.697 1.931 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.458 0.965 1.258 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.033 0.201 1.184 1.00 0.00 H new ATOM 0 HG SER A 107 20.626 -0.833 2.710 1.00 0.00 H new ATOM 1626 N SER A 108 23.965 1.969 0.762 1.00 0.00 N ATOM 1627 CA SER A 108 24.841 2.375 -0.331 1.00 0.00 C ATOM 1628 C SER A 108 24.539 1.575 -1.594 1.00 0.00 C ATOM 1629 O SER A 108 25.109 0.508 -1.818 1.00 0.00 O ATOM 1630 CB SER A 108 26.306 2.190 0.066 1.00 0.00 C ATOM 1631 OG SER A 108 26.759 3.269 0.865 1.00 0.00 O ATOM 0 H SER A 108 24.288 1.151 1.279 1.00 0.00 H new ATOM 0 HA SER A 108 24.659 3.430 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 108 26.422 1.255 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 108 26.922 2.114 -0.830 1.00 0.00 H new ATOM 0 HG SER A 108 27.698 3.125 1.107 1.00 0.00 H new ATOM 1637 N GLY A 109 23.637 2.100 -2.418 1.00 0.00 N ATOM 1638 CA GLY A 109 23.274 1.422 -3.649 1.00 0.00 C ATOM 1639 C GLY A 109 23.814 2.125 -4.879 1.00 0.00 C ATOM 1640 O GLY A 109 23.360 3.214 -5.229 1.00 0.00 O ATOM 0 H GLY A 109 23.151 2.982 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 109 23.653 0.400 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 109 22.188 1.358 -3.718 1.00 0.00 H new TER 1644 GLY A 109