USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 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 59 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -165:sc= -0.0632 (180deg=-0.316) USER MOD Set 2.1: A 37 SER OG : rot -141:sc= 0.536 USER MOD Set 2.2: A 39 THR OG1 : rot 21:sc= 0.15 USER MOD Set 2.3: A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -38:sc= 1.05 USER MOD Single : A 5 HIS : no HD1:sc=-0.00281 X(o=-0.0028,f=-0.036) USER MOD Single : A 11 LYS NZ :NH3+ -166:sc= -0.0507 (180deg=-0.307) USER MOD Single : A 12 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-2.4!) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.135 (180deg=-0.685) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.845 K(o=-0.84,f=0.44) USER MOD Single : A 41 THR OG1 : rot 81:sc= 0.218 USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= -3.1! (180deg=-5.98!) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= -6.74! (180deg=-9.6!) USER MOD Single : A 54 SER OG : rot -68:sc= 1.19 USER MOD Single : A 57 MET CE :methyl -156:sc= -0.244 (180deg=-1.01) USER MOD Single : A 65 MET CE :methyl -135:sc= -4.28! (180deg=-7.66!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 153:sc= -0.167 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -30.804 10.070 7.418 1.00 0.00 N ATOM 2 CA HIS A 1 -31.426 8.877 6.788 1.00 0.00 C ATOM 3 C HIS A 1 -31.961 9.209 5.399 1.00 0.00 C ATOM 4 O HIS A 1 -32.613 10.235 5.204 1.00 0.00 O ATOM 5 CB HIS A 1 -32.560 8.386 7.692 1.00 0.00 C ATOM 6 CG HIS A 1 -33.223 7.136 7.202 1.00 0.00 C ATOM 7 ND1 HIS A 1 -33.860 7.048 5.982 1.00 0.00 N ATOM 8 CD2 HIS A 1 -33.349 5.917 7.778 1.00 0.00 C ATOM 9 CE1 HIS A 1 -34.349 5.831 5.829 1.00 0.00 C ATOM 10 NE2 HIS A 1 -34.052 5.125 6.904 1.00 0.00 N ATOM 0 H1 HIS A 1 -30.448 9.818 8.362 1.00 0.00 H new ATOM 0 H2 HIS A 1 -30.015 10.403 6.828 1.00 0.00 H new ATOM 0 H3 HIS A 1 -31.513 10.826 7.506 1.00 0.00 H new ATOM 0 HA HIS A 1 -30.675 8.096 6.672 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -32.164 8.209 8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -33.309 9.173 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -32.968 5.623 8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -34.898 5.474 4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -34.304 4.149 7.060 1.00 0.00 H new ATOM 21 N SER A 2 -31.682 8.335 4.437 1.00 0.00 N ATOM 22 CA SER A 2 -32.136 8.538 3.066 1.00 0.00 C ATOM 23 C SER A 2 -32.218 7.212 2.316 1.00 0.00 C ATOM 24 O SER A 2 -31.642 6.211 2.740 1.00 0.00 O ATOM 25 CB SER A 2 -31.195 9.493 2.331 1.00 0.00 C ATOM 26 OG SER A 2 -29.876 8.977 2.287 1.00 0.00 O ATOM 0 H SER A 2 -31.144 7.480 4.581 1.00 0.00 H new ATOM 0 HA SER A 2 -33.133 8.976 3.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.558 9.657 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.193 10.462 2.830 1.00 0.00 H new ATOM 0 HG SER A 2 -29.295 9.606 1.810 1.00 0.00 H new ATOM 32 N SER A 3 -32.937 7.217 1.198 1.00 0.00 N ATOM 33 CA SER A 3 -33.095 6.018 0.383 1.00 0.00 C ATOM 34 C SER A 3 -32.413 6.193 -0.970 1.00 0.00 C ATOM 35 O SER A 3 -32.692 5.459 -1.919 1.00 0.00 O ATOM 36 CB SER A 3 -34.580 5.703 0.187 1.00 0.00 C ATOM 37 OG SER A 3 -34.756 4.514 -0.565 1.00 0.00 O ATOM 0 H SER A 3 -33.420 8.039 0.836 1.00 0.00 H new ATOM 0 HA SER A 3 -32.622 5.185 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.063 5.597 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.067 6.534 -0.323 1.00 0.00 H new ATOM 0 HG SER A 3 -34.075 4.468 -1.268 1.00 0.00 H new ATOM 43 N GLY A 4 -31.518 7.174 -1.051 1.00 0.00 N ATOM 44 CA GLY A 4 -30.809 7.435 -2.291 1.00 0.00 C ATOM 45 C GLY A 4 -29.304 7.326 -2.134 1.00 0.00 C ATOM 46 O GLY A 4 -28.551 7.731 -3.019 1.00 0.00 O ATOM 0 H GLY A 4 -31.271 7.793 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.144 6.730 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.062 8.433 -2.647 1.00 0.00 H new ATOM 50 N HIS A 5 -28.868 6.779 -1.003 1.00 0.00 N ATOM 51 CA HIS A 5 -27.444 6.618 -0.730 1.00 0.00 C ATOM 52 C HIS A 5 -27.219 5.592 0.377 1.00 0.00 C ATOM 53 O HIS A 5 -26.705 4.501 0.130 1.00 0.00 O ATOM 54 CB HIS A 5 -26.824 7.961 -0.335 1.00 0.00 C ATOM 55 CG HIS A 5 -25.364 7.875 -0.011 1.00 0.00 C ATOM 56 ND1 HIS A 5 -24.421 7.413 -0.904 1.00 0.00 N ATOM 57 CD2 HIS A 5 -24.686 8.194 1.118 1.00 0.00 C ATOM 58 CE1 HIS A 5 -23.227 7.449 -0.339 1.00 0.00 C ATOM 59 NE2 HIS A 5 -23.361 7.920 0.887 1.00 0.00 N ATOM 0 H HIS A 5 -29.480 6.440 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 5 -26.961 6.258 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.966 8.671 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -27.357 8.358 0.529 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.109 8.590 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.300 7.145 -0.801 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.602 8.058 1.555 1.00 0.00 H new ATOM 68 N ILE A 6 -27.608 5.950 1.595 1.00 0.00 N ATOM 69 CA ILE A 6 -27.451 5.062 2.738 1.00 0.00 C ATOM 70 C ILE A 6 -28.522 3.974 2.732 1.00 0.00 C ATOM 71 O ILE A 6 -29.557 4.101 3.387 1.00 0.00 O ATOM 72 CB ILE A 6 -27.521 5.842 4.067 1.00 0.00 C ATOM 73 CG1 ILE A 6 -26.458 6.944 4.091 1.00 0.00 C ATOM 74 CG2 ILE A 6 -27.341 4.896 5.248 1.00 0.00 C ATOM 75 CD1 ILE A 6 -26.505 7.810 5.332 1.00 0.00 C ATOM 0 H ILE A 6 -28.035 6.850 1.815 1.00 0.00 H new ATOM 0 HA ILE A 6 -26.468 4.599 2.655 1.00 0.00 H new ATOM 0 HB ILE A 6 -28.503 6.308 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -25.472 6.486 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -26.584 7.577 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.393 5.462 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -28.130 4.144 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -26.371 4.404 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -25.723 8.567 5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -27.478 8.297 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -26.348 7.190 6.215 1.00 0.00 H new ATOM 87 N ASP A 7 -28.265 2.906 1.982 1.00 0.00 N ATOM 88 CA ASP A 7 -29.203 1.793 1.885 1.00 0.00 C ATOM 89 C ASP A 7 -28.543 0.584 1.228 1.00 0.00 C ATOM 90 O ASP A 7 -28.235 -0.405 1.894 1.00 0.00 O ATOM 91 CB ASP A 7 -30.444 2.209 1.091 1.00 0.00 C ATOM 92 CG ASP A 7 -31.476 1.102 1.005 1.00 0.00 C ATOM 93 OD1 ASP A 7 -31.953 0.651 2.068 1.00 0.00 O ATOM 94 OD2 ASP A 7 -31.810 0.687 -0.124 1.00 0.00 O ATOM 0 H ASP A 7 -27.414 2.788 1.432 1.00 0.00 H new ATOM 0 HA ASP A 7 -29.506 1.516 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -30.894 3.085 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -30.146 2.502 0.084 1.00 0.00 H new ATOM 99 N ASP A 8 -28.324 0.673 -0.082 1.00 0.00 N ATOM 100 CA ASP A 8 -27.695 -0.412 -0.828 1.00 0.00 C ATOM 101 C ASP A 8 -27.328 0.038 -2.240 1.00 0.00 C ATOM 102 O ASP A 8 -27.344 -0.757 -3.180 1.00 0.00 O ATOM 103 CB ASP A 8 -28.623 -1.630 -0.891 1.00 0.00 C ATOM 104 CG ASP A 8 -29.941 -1.329 -1.580 1.00 0.00 C ATOM 105 OD1 ASP A 8 -30.145 -0.171 -2.001 1.00 0.00 O ATOM 106 OD2 ASP A 8 -30.772 -2.254 -1.697 1.00 0.00 O ATOM 0 H ASP A 8 -28.573 1.485 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 8 -26.780 -0.692 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -28.118 -2.439 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -28.820 -1.984 0.121 1.00 0.00 H new ATOM 111 N ASP A 9 -26.998 1.319 -2.381 1.00 0.00 N ATOM 112 CA ASP A 9 -26.627 1.874 -3.678 1.00 0.00 C ATOM 113 C ASP A 9 -25.114 2.020 -3.796 1.00 0.00 C ATOM 114 O ASP A 9 -24.449 1.198 -4.428 1.00 0.00 O ATOM 115 CB ASP A 9 -27.300 3.232 -3.887 1.00 0.00 C ATOM 116 CG ASP A 9 -28.814 3.139 -3.861 1.00 0.00 C ATOM 117 OD1 ASP A 9 -29.365 2.716 -2.824 1.00 0.00 O ATOM 118 OD2 ASP A 9 -29.447 3.491 -4.879 1.00 0.00 O ATOM 0 H ASP A 9 -26.980 1.991 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.968 1.184 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.968 3.922 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.981 3.649 -4.842 1.00 0.00 H new ATOM 123 N ASP A 10 -24.574 3.069 -3.184 1.00 0.00 N ATOM 124 CA ASP A 10 -23.139 3.321 -3.222 1.00 0.00 C ATOM 125 C ASP A 10 -22.430 2.584 -2.092 1.00 0.00 C ATOM 126 O ASP A 10 -21.215 2.387 -2.131 1.00 0.00 O ATOM 127 CB ASP A 10 -22.859 4.821 -3.124 1.00 0.00 C ATOM 128 CG ASP A 10 -23.486 5.601 -4.263 1.00 0.00 C ATOM 129 OD1 ASP A 10 -24.728 5.566 -4.394 1.00 0.00 O ATOM 130 OD2 ASP A 10 -22.736 6.247 -5.025 1.00 0.00 O ATOM 0 H ASP A 10 -25.109 3.758 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 10 -22.755 2.950 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -23.241 5.198 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -21.782 4.988 -3.123 1.00 0.00 H new ATOM 135 N LYS A 11 -23.198 2.178 -1.087 1.00 0.00 N ATOM 136 CA LYS A 11 -22.648 1.460 0.056 1.00 0.00 C ATOM 137 C LYS A 11 -22.563 -0.034 -0.235 1.00 0.00 C ATOM 138 O LYS A 11 -21.725 -0.739 0.327 1.00 0.00 O ATOM 139 CB LYS A 11 -23.505 1.703 1.300 1.00 0.00 C ATOM 140 CG LYS A 11 -23.586 3.166 1.710 1.00 0.00 C ATOM 141 CD LYS A 11 -22.221 3.721 2.093 1.00 0.00 C ATOM 142 CE LYS A 11 -21.644 3.005 3.304 1.00 0.00 C ATOM 143 NZ LYS A 11 -22.531 3.125 4.494 1.00 0.00 N ATOM 0 H LYS A 11 -24.205 2.334 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 11 -21.641 1.835 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -24.512 1.330 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -23.098 1.124 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -23.999 3.752 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -24.270 3.270 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.537 3.620 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.308 4.786 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -21.496 1.952 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.664 3.420 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.009 2.838 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.844 4.111 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.360 2.509 4.372 1.00 0.00 H new ATOM 157 N HIS A 12 -23.434 -0.508 -1.119 1.00 0.00 N ATOM 158 CA HIS A 12 -23.457 -1.917 -1.489 1.00 0.00 C ATOM 159 C HIS A 12 -22.341 -2.226 -2.481 1.00 0.00 C ATOM 160 O HIS A 12 -21.754 -3.308 -2.457 1.00 0.00 O ATOM 161 CB HIS A 12 -24.815 -2.284 -2.094 1.00 0.00 C ATOM 162 CG HIS A 12 -24.980 -3.748 -2.364 1.00 0.00 C ATOM 163 ND1 HIS A 12 -24.176 -4.449 -3.238 1.00 0.00 N ATOM 164 CD2 HIS A 12 -25.863 -4.646 -1.865 1.00 0.00 C ATOM 165 CE1 HIS A 12 -24.558 -5.714 -3.265 1.00 0.00 C ATOM 166 NE2 HIS A 12 -25.578 -5.859 -2.441 1.00 0.00 N ATOM 0 H HIS A 12 -24.133 0.064 -1.593 1.00 0.00 H new ATOM 0 HA HIS A 12 -23.299 -2.513 -0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -25.604 -1.958 -1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -24.948 -1.735 -3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -26.645 -4.445 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -24.111 -6.496 -3.861 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -26.075 -6.732 -2.261 1.00 0.00 H new ATOM 175 N MET A 13 -22.051 -1.261 -3.350 1.00 0.00 N ATOM 176 CA MET A 13 -21.002 -1.419 -4.351 1.00 0.00 C ATOM 177 C MET A 13 -19.634 -1.524 -3.686 1.00 0.00 C ATOM 178 O MET A 13 -18.723 -2.163 -4.213 1.00 0.00 O ATOM 179 CB MET A 13 -21.021 -0.238 -5.326 1.00 0.00 C ATOM 180 CG MET A 13 -19.972 -0.330 -6.424 1.00 0.00 C ATOM 181 SD MET A 13 -19.979 1.106 -7.515 1.00 0.00 S ATOM 182 CE MET A 13 -21.649 1.038 -8.159 1.00 0.00 C ATOM 0 H MET A 13 -22.529 -0.360 -3.380 1.00 0.00 H new ATOM 0 HA MET A 13 -21.190 -2.340 -4.903 1.00 0.00 H new ATOM 0 HB2 MET A 13 -22.008 -0.173 -5.784 1.00 0.00 H new ATOM 0 HB3 MET A 13 -20.868 0.685 -4.767 1.00 0.00 H new ATOM 0 HG2 MET A 13 -18.986 -0.432 -5.971 1.00 0.00 H new ATOM 0 HG3 MET A 13 -20.147 -1.230 -7.014 1.00 0.00 H new ATOM 0 HE1 MET A 13 -21.706 1.613 -9.083 1.00 0.00 H new ATOM 0 HE2 MET A 13 -21.920 0.001 -8.359 1.00 0.00 H new ATOM 0 HE3 MET A 13 -22.339 1.458 -7.427 1.00 0.00 H new ATOM 192 N ALA A 14 -19.499 -0.893 -2.524 1.00 0.00 N ATOM 193 CA ALA A 14 -18.244 -0.913 -1.782 1.00 0.00 C ATOM 194 C ALA A 14 -17.904 -2.325 -1.318 1.00 0.00 C ATOM 195 O ALA A 14 -16.765 -2.774 -1.449 1.00 0.00 O ATOM 196 CB ALA A 14 -18.318 0.032 -0.593 1.00 0.00 C ATOM 0 H ALA A 14 -20.245 -0.361 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.451 -0.577 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.374 0.006 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.506 1.046 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.127 -0.278 0.069 1.00 0.00 H new ATOM 202 N GLU A 15 -18.900 -3.021 -0.777 1.00 0.00 N ATOM 203 CA GLU A 15 -18.706 -4.384 -0.295 1.00 0.00 C ATOM 204 C GLU A 15 -18.480 -5.343 -1.457 1.00 0.00 C ATOM 205 O GLU A 15 -17.887 -6.409 -1.290 1.00 0.00 O ATOM 206 CB GLU A 15 -19.911 -4.834 0.532 1.00 0.00 C ATOM 207 CG GLU A 15 -20.142 -3.990 1.775 1.00 0.00 C ATOM 208 CD GLU A 15 -21.326 -4.466 2.592 1.00 0.00 C ATOM 209 OE1 GLU A 15 -22.451 -4.488 2.050 1.00 0.00 O ATOM 210 OE2 GLU A 15 -21.129 -4.818 3.774 1.00 0.00 O ATOM 0 H GLU A 15 -19.848 -2.664 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 15 -17.819 -4.396 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -20.804 -4.799 -0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -19.770 -5.873 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -19.246 -4.011 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.302 -2.953 1.481 1.00 0.00 H new ATOM 217 N ARG A 16 -18.950 -4.950 -2.636 1.00 0.00 N ATOM 218 CA ARG A 16 -18.793 -5.768 -3.833 1.00 0.00 C ATOM 219 C ARG A 16 -17.377 -5.652 -4.383 1.00 0.00 C ATOM 220 O ARG A 16 -16.871 -6.574 -5.023 1.00 0.00 O ATOM 221 CB ARG A 16 -19.804 -5.347 -4.903 1.00 0.00 C ATOM 222 CG ARG A 16 -21.251 -5.607 -4.515 1.00 0.00 C ATOM 223 CD ARG A 16 -21.523 -7.093 -4.339 1.00 0.00 C ATOM 224 NE ARG A 16 -21.246 -7.846 -5.560 1.00 0.00 N ATOM 225 CZ ARG A 16 -21.394 -9.163 -5.666 1.00 0.00 C ATOM 226 NH1 ARG A 16 -21.814 -9.875 -4.629 1.00 0.00 N ATOM 227 NH2 ARG A 16 -21.121 -9.770 -6.813 1.00 0.00 N ATOM 0 H ARG A 16 -19.443 -4.070 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.977 -6.807 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.678 -4.284 -5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.584 -5.880 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.480 -5.082 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.912 -5.203 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.909 -7.481 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.564 -7.240 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.920 -7.332 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.025 -9.412 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.926 -10.885 -4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -20.798 -9.227 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -21.234 -10.780 -6.895 1.00 0.00 H new ATOM 241 N LEU A 17 -16.742 -4.513 -4.126 1.00 0.00 N ATOM 242 CA LEU A 17 -15.382 -4.274 -4.593 1.00 0.00 C ATOM 243 C LEU A 17 -14.368 -4.946 -3.674 1.00 0.00 C ATOM 244 O LEU A 17 -14.061 -4.440 -2.594 1.00 0.00 O ATOM 245 CB LEU A 17 -15.106 -2.770 -4.667 1.00 0.00 C ATOM 246 CG LEU A 17 -13.697 -2.386 -5.125 1.00 0.00 C ATOM 247 CD1 LEU A 17 -13.440 -2.873 -6.543 1.00 0.00 C ATOM 248 CD2 LEU A 17 -13.504 -0.880 -5.033 1.00 0.00 C ATOM 0 H LEU A 17 -17.148 -3.741 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 17 -15.282 -4.704 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.827 -2.318 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -15.281 -2.336 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.977 -2.869 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.433 -2.589 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.538 -3.958 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.165 -2.421 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.497 -0.621 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.234 -0.380 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.642 -0.558 -4.001 1.00 0.00 H new ATOM 260 N SER A 18 -13.851 -6.090 -4.111 1.00 0.00 N ATOM 261 CA SER A 18 -12.870 -6.835 -3.330 1.00 0.00 C ATOM 262 C SER A 18 -11.469 -6.266 -3.536 1.00 0.00 C ATOM 263 O SER A 18 -10.796 -6.584 -4.517 1.00 0.00 O ATOM 264 CB SER A 18 -12.901 -8.314 -3.719 1.00 0.00 C ATOM 265 OG SER A 18 -14.178 -8.880 -3.475 1.00 0.00 O ATOM 0 H SER A 18 -14.095 -6.521 -5.002 1.00 0.00 H new ATOM 0 HA SER A 18 -13.127 -6.740 -2.275 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.648 -8.421 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.145 -8.858 -3.153 1.00 0.00 H new ATOM 0 HG SER A 18 -14.172 -9.825 -3.734 1.00 0.00 H new ATOM 271 N GLU A 19 -11.041 -5.418 -2.606 1.00 0.00 N ATOM 272 CA GLU A 19 -9.724 -4.791 -2.680 1.00 0.00 C ATOM 273 C GLU A 19 -8.650 -5.698 -2.080 1.00 0.00 C ATOM 274 O GLU A 19 -7.457 -5.509 -2.321 1.00 0.00 O ATOM 275 CB GLU A 19 -9.745 -3.451 -1.941 1.00 0.00 C ATOM 276 CG GLU A 19 -8.470 -2.637 -2.095 1.00 0.00 C ATOM 277 CD GLU A 19 -8.243 -2.170 -3.520 1.00 0.00 C ATOM 278 OE1 GLU A 19 -8.054 -3.029 -4.406 1.00 0.00 O ATOM 279 OE2 GLU A 19 -8.260 -0.943 -3.749 1.00 0.00 O ATOM 0 H GLU A 19 -11.589 -5.148 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.483 -4.624 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.586 -2.861 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.920 -3.636 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.515 -1.770 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.619 -3.238 -1.774 1.00 0.00 H new ATOM 286 N GLU A 20 -9.084 -6.676 -1.293 1.00 0.00 N ATOM 287 CA GLU A 20 -8.169 -7.611 -0.646 1.00 0.00 C ATOM 288 C GLU A 20 -7.618 -8.634 -1.641 1.00 0.00 C ATOM 289 O GLU A 20 -6.652 -9.336 -1.345 1.00 0.00 O ATOM 290 CB GLU A 20 -8.879 -8.327 0.507 1.00 0.00 C ATOM 291 CG GLU A 20 -7.986 -9.287 1.277 1.00 0.00 C ATOM 292 CD GLU A 20 -6.783 -8.599 1.893 1.00 0.00 C ATOM 293 OE1 GLU A 20 -6.981 -7.682 2.717 1.00 0.00 O ATOM 294 OE2 GLU A 20 -5.643 -8.978 1.550 1.00 0.00 O ATOM 0 H GLU A 20 -10.069 -6.843 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.328 -7.040 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.275 -7.581 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.732 -8.878 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.568 -9.766 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.645 -10.076 0.607 1.00 0.00 H new ATOM 301 N GLU A 21 -8.243 -8.721 -2.814 1.00 0.00 N ATOM 302 CA GLU A 21 -7.813 -9.667 -3.844 1.00 0.00 C ATOM 303 C GLU A 21 -6.320 -9.533 -4.138 1.00 0.00 C ATOM 304 O GLU A 21 -5.602 -10.529 -4.217 1.00 0.00 O ATOM 305 CB GLU A 21 -8.611 -9.453 -5.133 1.00 0.00 C ATOM 306 CG GLU A 21 -10.105 -9.685 -4.976 1.00 0.00 C ATOM 307 CD GLU A 21 -10.448 -11.120 -4.618 1.00 0.00 C ATOM 308 OE1 GLU A 21 -9.522 -11.956 -4.550 1.00 0.00 O ATOM 309 OE2 GLU A 21 -11.646 -11.409 -4.414 1.00 0.00 O ATOM 0 H GLU A 21 -9.047 -8.150 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.999 -10.672 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.446 -8.435 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.228 -10.124 -5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.491 -9.021 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.608 -9.418 -5.905 1.00 0.00 H new ATOM 316 N ILE A 22 -5.864 -8.296 -4.304 1.00 0.00 N ATOM 317 CA ILE A 22 -4.459 -8.023 -4.595 1.00 0.00 C ATOM 318 C ILE A 22 -3.555 -8.519 -3.463 1.00 0.00 C ATOM 319 O ILE A 22 -2.335 -8.591 -3.612 1.00 0.00 O ATOM 320 CB ILE A 22 -4.223 -6.517 -4.826 1.00 0.00 C ATOM 321 CG1 ILE A 22 -2.815 -6.274 -5.378 1.00 0.00 C ATOM 322 CG2 ILE A 22 -4.435 -5.741 -3.532 1.00 0.00 C ATOM 323 CD1 ILE A 22 -2.528 -4.823 -5.700 1.00 0.00 C ATOM 0 H ILE A 22 -6.449 -7.463 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.206 -8.562 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.945 -6.161 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.084 -6.627 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.680 -6.870 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.265 -4.680 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.456 -5.890 -3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.736 -6.097 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.513 -4.730 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.235 -4.470 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.629 -4.223 -4.796 1.00 0.00 H new ATOM 335 N GLY A 23 -4.175 -8.851 -2.333 1.00 0.00 N ATOM 336 CA GLY A 23 -3.452 -9.335 -1.162 1.00 0.00 C ATOM 337 C GLY A 23 -2.490 -10.480 -1.449 1.00 0.00 C ATOM 338 O GLY A 23 -1.760 -10.911 -0.556 1.00 0.00 O ATOM 0 H GLY A 23 -5.185 -8.792 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.893 -8.507 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.174 -9.661 -0.413 1.00 0.00 H new ATOM 342 N GLY A 24 -2.479 -10.971 -2.688 1.00 0.00 N ATOM 343 CA GLY A 24 -1.585 -12.060 -3.059 1.00 0.00 C ATOM 344 C GLY A 24 -0.122 -11.745 -2.778 1.00 0.00 C ATOM 345 O GLY A 24 0.748 -12.591 -2.983 1.00 0.00 O ATOM 0 H GLY A 24 -3.075 -10.633 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.870 -12.959 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.707 -12.279 -4.120 1.00 0.00 H new ATOM 349 N LEU A 25 0.136 -10.518 -2.321 1.00 0.00 N ATOM 350 CA LEU A 25 1.487 -10.043 -2.007 1.00 0.00 C ATOM 351 C LEU A 25 2.365 -11.116 -1.355 1.00 0.00 C ATOM 352 O LEU A 25 3.591 -11.057 -1.446 1.00 0.00 O ATOM 353 CB LEU A 25 1.395 -8.812 -1.093 1.00 0.00 C ATOM 354 CG LEU A 25 0.558 -8.983 0.184 1.00 0.00 C ATOM 355 CD1 LEU A 25 1.276 -9.856 1.202 1.00 0.00 C ATOM 356 CD2 LEU A 25 0.233 -7.627 0.790 1.00 0.00 C ATOM 0 H LEU A 25 -0.590 -9.821 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 25 1.965 -9.782 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.405 -8.521 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.978 -7.986 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.372 -9.480 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.658 -9.958 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.458 -10.841 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.227 -9.395 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.360 -7.765 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.159 -7.109 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.333 -7.034 0.072 1.00 0.00 H new ATOM 368 N LYS A 26 1.738 -12.081 -0.690 1.00 0.00 N ATOM 369 CA LYS A 26 2.462 -13.155 -0.011 1.00 0.00 C ATOM 370 C LYS A 26 3.513 -13.813 -0.911 1.00 0.00 C ATOM 371 O LYS A 26 4.387 -14.529 -0.423 1.00 0.00 O ATOM 372 CB LYS A 26 1.483 -14.217 0.491 1.00 0.00 C ATOM 373 CG LYS A 26 0.510 -13.709 1.543 1.00 0.00 C ATOM 374 CD LYS A 26 -0.430 -14.809 2.016 1.00 0.00 C ATOM 375 CE LYS A 26 0.332 -15.966 2.646 1.00 0.00 C ATOM 376 NZ LYS A 26 -0.580 -17.056 3.091 1.00 0.00 N ATOM 0 H LYS A 26 0.723 -12.143 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 26 2.985 -12.702 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.917 -14.605 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.048 -15.051 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.066 -13.315 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.072 -12.884 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.134 -14.400 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.016 -15.175 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.048 -16.363 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.905 -15.602 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.022 -17.825 3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.247 -16.684 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.109 -17.422 2.273 1.00 0.00 H new ATOM 390 N GLU A 27 3.417 -13.595 -2.219 1.00 0.00 N ATOM 391 CA GLU A 27 4.359 -14.204 -3.155 1.00 0.00 C ATOM 392 C GLU A 27 5.656 -13.401 -3.286 1.00 0.00 C ATOM 393 O GLU A 27 6.723 -13.866 -2.883 1.00 0.00 O ATOM 394 CB GLU A 27 3.707 -14.350 -4.533 1.00 0.00 C ATOM 395 CG GLU A 27 2.423 -15.167 -4.526 1.00 0.00 C ATOM 396 CD GLU A 27 2.641 -16.608 -4.105 1.00 0.00 C ATOM 397 OE1 GLU A 27 3.074 -16.835 -2.955 1.00 0.00 O ATOM 398 OE2 GLU A 27 2.378 -17.512 -4.926 1.00 0.00 O ATOM 0 H GLU A 27 2.705 -13.008 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 27 4.618 -15.185 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.492 -13.357 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.419 -14.817 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.706 -14.701 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.981 -15.148 -5.522 1.00 0.00 H new ATOM 405 N LEU A 28 5.567 -12.210 -3.875 1.00 0.00 N ATOM 406 CA LEU A 28 6.744 -11.364 -4.084 1.00 0.00 C ATOM 407 C LEU A 28 7.006 -10.408 -2.921 1.00 0.00 C ATOM 408 O LEU A 28 8.139 -10.283 -2.456 1.00 0.00 O ATOM 409 CB LEU A 28 6.600 -10.557 -5.380 1.00 0.00 C ATOM 410 CG LEU A 28 6.629 -11.368 -6.682 1.00 0.00 C ATOM 411 CD1 LEU A 28 7.908 -12.188 -6.776 1.00 0.00 C ATOM 412 CD2 LEU A 28 5.405 -12.266 -6.791 1.00 0.00 C ATOM 0 H LEU A 28 4.694 -11.808 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 28 7.597 -12.039 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.661 -10.006 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.401 -9.819 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 28 6.609 -10.668 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.909 -12.756 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.770 -11.521 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.962 -12.875 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.449 -12.830 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.385 -12.957 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.503 -11.654 -6.780 1.00 0.00 H new ATOM 424 N PHE A 29 5.964 -9.703 -2.493 1.00 0.00 N ATOM 425 CA PHE A 29 6.072 -8.716 -1.422 1.00 0.00 C ATOM 426 C PHE A 29 6.914 -9.209 -0.243 1.00 0.00 C ATOM 427 O PHE A 29 7.846 -8.530 0.182 1.00 0.00 O ATOM 428 CB PHE A 29 4.679 -8.325 -0.937 1.00 0.00 C ATOM 429 CG PHE A 29 4.648 -7.055 -0.139 1.00 0.00 C ATOM 430 CD1 PHE A 29 5.333 -5.934 -0.577 1.00 0.00 C ATOM 431 CD2 PHE A 29 3.928 -6.977 1.041 1.00 0.00 C ATOM 432 CE1 PHE A 29 5.303 -4.761 0.148 1.00 0.00 C ATOM 433 CE2 PHE A 29 3.893 -5.805 1.770 1.00 0.00 C ATOM 434 CZ PHE A 29 4.583 -4.695 1.323 1.00 0.00 C ATOM 0 H PHE A 29 5.024 -9.798 -2.876 1.00 0.00 H new ATOM 0 HA PHE A 29 6.583 -7.848 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.022 -8.217 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.276 -9.135 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.897 -5.979 -1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.388 -7.843 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.843 -3.894 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.327 -5.756 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.559 -3.777 1.892 1.00 0.00 H new ATOM 444 N LYS A 30 6.577 -10.377 0.294 1.00 0.00 N ATOM 445 CA LYS A 30 7.309 -10.921 1.435 1.00 0.00 C ATOM 446 C LYS A 30 8.730 -11.329 1.051 1.00 0.00 C ATOM 447 O LYS A 30 9.603 -11.442 1.911 1.00 0.00 O ATOM 448 CB LYS A 30 6.571 -12.122 2.029 1.00 0.00 C ATOM 449 CG LYS A 30 5.169 -11.797 2.522 1.00 0.00 C ATOM 450 CD LYS A 30 4.587 -12.937 3.346 1.00 0.00 C ATOM 451 CE LYS A 30 4.530 -14.235 2.555 1.00 0.00 C ATOM 452 NZ LYS A 30 4.009 -15.364 3.374 1.00 0.00 N ATOM 0 H LYS A 30 5.809 -10.961 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 30 7.371 -10.131 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.508 -12.907 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.154 -12.522 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.196 -10.889 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.520 -11.595 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.191 -13.083 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.584 -12.670 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.895 -14.099 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.527 -14.481 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.986 -16.229 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.629 -15.512 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.047 -15.141 3.701 1.00 0.00 H new ATOM 466 N MET A 31 8.958 -11.553 -0.238 1.00 0.00 N ATOM 467 CA MET A 31 10.264 -11.951 -0.727 1.00 0.00 C ATOM 468 C MET A 31 11.186 -10.745 -0.887 1.00 0.00 C ATOM 469 O MET A 31 12.408 -10.871 -0.801 1.00 0.00 O ATOM 470 CB MET A 31 10.094 -12.673 -2.060 1.00 0.00 C ATOM 471 CG MET A 31 11.392 -12.912 -2.797 1.00 0.00 C ATOM 472 SD MET A 31 11.134 -13.659 -4.410 1.00 0.00 S ATOM 473 CE MET A 31 12.734 -13.355 -5.130 1.00 0.00 C ATOM 0 H MET A 31 8.247 -11.464 -0.964 1.00 0.00 H new ATOM 0 HA MET A 31 10.726 -12.620 -0.001 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.606 -13.632 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.429 -12.089 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 31 11.918 -11.965 -2.918 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.033 -13.559 -2.198 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.759 -13.755 -6.144 1.00 0.00 H new ATOM 0 HE2 MET A 31 12.922 -12.282 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 31 13.502 -13.842 -4.529 1.00 0.00 H new ATOM 483 N ILE A 32 10.595 -9.576 -1.111 1.00 0.00 N ATOM 484 CA ILE A 32 11.367 -8.351 -1.274 1.00 0.00 C ATOM 485 C ILE A 32 11.510 -7.634 0.059 1.00 0.00 C ATOM 486 O ILE A 32 12.486 -6.922 0.300 1.00 0.00 O ATOM 487 CB ILE A 32 10.719 -7.400 -2.305 1.00 0.00 C ATOM 488 CG1 ILE A 32 11.622 -6.190 -2.560 1.00 0.00 C ATOM 489 CG2 ILE A 32 9.347 -6.949 -1.829 1.00 0.00 C ATOM 490 CD1 ILE A 32 12.978 -6.556 -3.124 1.00 0.00 C ATOM 0 H ILE A 32 9.585 -9.452 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 32 12.352 -8.635 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 32 10.596 -7.943 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.121 -5.512 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.761 -5.647 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.907 -6.280 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.703 -7.819 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.446 -6.424 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.564 -5.650 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.499 -7.209 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.849 -7.072 -4.075 1.00 0.00 H new ATOM 502 N ASP A 33 10.522 -7.836 0.923 1.00 0.00 N ATOM 503 CA ASP A 33 10.515 -7.224 2.241 1.00 0.00 C ATOM 504 C ASP A 33 11.746 -7.645 3.033 1.00 0.00 C ATOM 505 O ASP A 33 11.951 -8.831 3.292 1.00 0.00 O ATOM 506 CB ASP A 33 9.245 -7.627 2.996 1.00 0.00 C ATOM 507 CG ASP A 33 9.124 -6.946 4.346 1.00 0.00 C ATOM 508 OD1 ASP A 33 9.965 -6.078 4.652 1.00 0.00 O ATOM 509 OD2 ASP A 33 8.180 -7.277 5.094 1.00 0.00 O ATOM 0 H ASP A 33 9.711 -8.424 0.730 1.00 0.00 H new ATOM 0 HA ASP A 33 10.533 -6.141 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.373 -7.380 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.239 -8.708 3.137 1.00 0.00 H new ATOM 514 N THR A 34 12.561 -6.669 3.420 1.00 0.00 N ATOM 515 CA THR A 34 13.767 -6.946 4.191 1.00 0.00 C ATOM 516 C THR A 34 13.404 -7.631 5.504 1.00 0.00 C ATOM 517 O THR A 34 14.264 -8.167 6.203 1.00 0.00 O ATOM 518 CB THR A 34 14.531 -5.647 4.464 1.00 0.00 C ATOM 519 OG1 THR A 34 14.855 -4.993 3.250 1.00 0.00 O ATOM 520 CG2 THR A 34 15.821 -5.854 5.229 1.00 0.00 C ATOM 0 H THR A 34 12.409 -5.682 3.213 1.00 0.00 H new ATOM 0 HA THR A 34 14.408 -7.612 3.613 1.00 0.00 H new ATOM 0 HB THR A 34 13.860 -5.044 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.341 -4.165 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.309 -4.892 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.602 -6.312 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 34 16.482 -6.507 4.658 1.00 0.00 H new ATOM 528 N ASP A 35 12.114 -7.608 5.828 1.00 0.00 N ATOM 529 CA ASP A 35 11.616 -8.219 7.049 1.00 0.00 C ATOM 530 C ASP A 35 10.890 -9.523 6.750 1.00 0.00 C ATOM 531 O ASP A 35 10.756 -10.378 7.626 1.00 0.00 O ATOM 532 CB ASP A 35 10.680 -7.252 7.777 1.00 0.00 C ATOM 533 CG ASP A 35 10.314 -7.722 9.174 1.00 0.00 C ATOM 534 OD1 ASP A 35 10.848 -8.762 9.613 1.00 0.00 O ATOM 535 OD2 ASP A 35 9.499 -7.042 9.832 1.00 0.00 O ATOM 0 H ASP A 35 11.393 -7.169 5.255 1.00 0.00 H new ATOM 0 HA ASP A 35 12.469 -8.443 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.156 -6.273 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.769 -7.126 7.191 1.00 0.00 H new ATOM 540 N ASN A 36 10.413 -9.675 5.514 1.00 0.00 N ATOM 541 CA ASN A 36 9.691 -10.880 5.127 1.00 0.00 C ATOM 542 C ASN A 36 8.503 -11.099 6.061 1.00 0.00 C ATOM 543 O ASN A 36 7.893 -12.168 6.074 1.00 0.00 O ATOM 544 CB ASN A 36 10.625 -12.095 5.160 1.00 0.00 C ATOM 545 CG ASN A 36 9.942 -13.372 4.708 1.00 0.00 C ATOM 546 OD1 ASN A 36 9.464 -13.470 3.578 1.00 0.00 O ATOM 547 ND2 ASN A 36 9.890 -14.359 5.594 1.00 0.00 N ATOM 0 H ASN A 36 10.514 -8.983 4.772 1.00 0.00 H new ATOM 0 HA ASN A 36 9.321 -10.757 4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.487 -11.903 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.004 -12.230 6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.441 -15.241 5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.299 -14.235 6.520 1.00 0.00 H new ATOM 554 N SER A 37 8.176 -10.069 6.840 1.00 0.00 N ATOM 555 CA SER A 37 7.061 -10.142 7.773 1.00 0.00 C ATOM 556 C SER A 37 5.751 -9.968 7.025 1.00 0.00 C ATOM 557 O SER A 37 4.684 -10.340 7.513 1.00 0.00 O ATOM 558 CB SER A 37 7.197 -9.067 8.853 1.00 0.00 C ATOM 559 OG SER A 37 7.202 -7.769 8.284 1.00 0.00 O ATOM 0 H SER A 37 8.669 -9.176 6.841 1.00 0.00 H new ATOM 0 HA SER A 37 7.070 -11.120 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.374 -9.153 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.118 -9.225 9.414 1.00 0.00 H new ATOM 0 HG SER A 37 7.848 -7.206 8.760 1.00 0.00 H new ATOM 565 N GLY A 38 5.850 -9.401 5.830 1.00 0.00 N ATOM 566 CA GLY A 38 4.669 -9.183 5.011 1.00 0.00 C ATOM 567 C GLY A 38 4.324 -7.715 4.869 1.00 0.00 C ATOM 568 O GLY A 38 3.312 -7.363 4.263 1.00 0.00 O ATOM 0 H GLY A 38 6.726 -9.087 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.832 -9.612 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.823 -9.711 5.451 1.00 0.00 H new ATOM 572 N THR A 39 5.171 -6.860 5.430 1.00 0.00 N ATOM 573 CA THR A 39 4.967 -5.417 5.367 1.00 0.00 C ATOM 574 C THR A 39 6.308 -4.704 5.255 1.00 0.00 C ATOM 575 O THR A 39 7.241 -5.008 5.995 1.00 0.00 O ATOM 576 CB THR A 39 4.218 -4.929 6.609 1.00 0.00 C ATOM 577 OG1 THR A 39 4.938 -5.251 7.786 1.00 0.00 O ATOM 578 CG2 THR A 39 2.830 -5.518 6.745 1.00 0.00 C ATOM 0 H THR A 39 6.010 -7.143 5.936 1.00 0.00 H new ATOM 0 HA THR A 39 4.368 -5.189 4.485 1.00 0.00 H new ATOM 0 HB THR A 39 4.125 -3.850 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.880 -5.402 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.357 -5.129 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.232 -5.246 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.900 -6.604 6.811 1.00 0.00 H new ATOM 586 N ILE A 40 6.406 -3.758 4.328 1.00 0.00 N ATOM 587 CA ILE A 40 7.653 -3.021 4.139 1.00 0.00 C ATOM 588 C ILE A 40 7.559 -1.613 4.714 1.00 0.00 C ATOM 589 O ILE A 40 6.639 -0.866 4.398 1.00 0.00 O ATOM 590 CB ILE A 40 8.043 -2.928 2.647 1.00 0.00 C ATOM 591 CG1 ILE A 40 8.463 -4.300 2.120 1.00 0.00 C ATOM 592 CG2 ILE A 40 9.164 -1.915 2.448 1.00 0.00 C ATOM 593 CD1 ILE A 40 8.722 -4.323 0.628 1.00 0.00 C ATOM 0 H ILE A 40 5.648 -3.485 3.702 1.00 0.00 H new ATOM 0 HA ILE A 40 8.423 -3.578 4.672 1.00 0.00 H new ATOM 0 HB ILE A 40 7.173 -2.591 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.365 -4.620 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.684 -5.025 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.425 -1.864 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.832 -0.934 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.038 -2.222 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.016 -5.328 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.815 -4.034 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.522 -3.623 0.387 1.00 0.00 H new ATOM 605 N THR A 41 8.528 -1.251 5.546 1.00 0.00 N ATOM 606 CA THR A 41 8.556 0.076 6.149 1.00 0.00 C ATOM 607 C THR A 41 9.608 0.948 5.488 1.00 0.00 C ATOM 608 O THR A 41 10.461 0.455 4.763 1.00 0.00 O ATOM 609 CB THR A 41 8.821 -0.008 7.650 1.00 0.00 C ATOM 610 OG1 THR A 41 9.122 1.270 8.180 1.00 0.00 O ATOM 611 CG2 THR A 41 9.956 -0.941 8.012 1.00 0.00 C ATOM 0 H THR A 41 9.303 -1.856 5.818 1.00 0.00 H new ATOM 0 HA THR A 41 7.576 0.528 5.994 1.00 0.00 H new ATOM 0 HB THR A 41 7.902 -0.405 8.081 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.290 1.762 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.088 -0.951 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.724 -1.948 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.875 -0.597 7.538 1.00 0.00 H new ATOM 619 N PHE A 42 9.519 2.244 5.747 1.00 0.00 N ATOM 620 CA PHE A 42 10.436 3.234 5.197 1.00 0.00 C ATOM 621 C PHE A 42 11.876 2.725 5.137 1.00 0.00 C ATOM 622 O PHE A 42 12.482 2.692 4.065 1.00 0.00 O ATOM 623 CB PHE A 42 10.367 4.508 6.038 1.00 0.00 C ATOM 624 CG PHE A 42 11.393 5.532 5.663 1.00 0.00 C ATOM 625 CD1 PHE A 42 11.604 5.866 4.338 1.00 0.00 C ATOM 626 CD2 PHE A 42 12.151 6.153 6.639 1.00 0.00 C ATOM 627 CE1 PHE A 42 12.553 6.801 3.991 1.00 0.00 C ATOM 628 CE2 PHE A 42 13.102 7.091 6.299 1.00 0.00 C ATOM 629 CZ PHE A 42 13.305 7.417 4.972 1.00 0.00 C ATOM 0 H PHE A 42 8.801 2.643 6.351 1.00 0.00 H new ATOM 0 HA PHE A 42 10.127 3.440 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.374 4.947 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.494 4.247 7.089 1.00 0.00 H new ATOM 0 HD1 PHE A 42 11.018 5.388 3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.996 5.901 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.709 7.053 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.688 7.571 7.069 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.050 8.151 4.703 1.00 0.00 H new ATOM 639 N ASP A 43 12.422 2.342 6.287 1.00 0.00 N ATOM 640 CA ASP A 43 13.795 1.847 6.353 1.00 0.00 C ATOM 641 C ASP A 43 14.006 0.718 5.351 1.00 0.00 C ATOM 642 O ASP A 43 15.065 0.608 4.732 1.00 0.00 O ATOM 643 CB ASP A 43 14.118 1.363 7.769 1.00 0.00 C ATOM 644 CG ASP A 43 15.560 0.915 7.918 1.00 0.00 C ATOM 645 OD1 ASP A 43 15.957 -0.054 7.237 1.00 0.00 O ATOM 646 OD2 ASP A 43 16.294 1.535 8.716 1.00 0.00 O ATOM 0 H ASP A 43 11.937 2.364 7.184 1.00 0.00 H new ATOM 0 HA ASP A 43 14.468 2.666 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.916 2.166 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.456 0.536 8.026 1.00 0.00 H new ATOM 651 N GLU A 44 12.986 -0.116 5.199 1.00 0.00 N ATOM 652 CA GLU A 44 13.037 -1.242 4.276 1.00 0.00 C ATOM 653 C GLU A 44 12.554 -0.830 2.888 1.00 0.00 C ATOM 654 O GLU A 44 12.746 -1.555 1.911 1.00 0.00 O ATOM 655 CB GLU A 44 12.182 -2.388 4.816 1.00 0.00 C ATOM 656 CG GLU A 44 12.606 -2.854 6.200 1.00 0.00 C ATOM 657 CD GLU A 44 11.646 -3.859 6.805 1.00 0.00 C ATOM 658 OE1 GLU A 44 10.599 -4.131 6.182 1.00 0.00 O ATOM 659 OE2 GLU A 44 11.936 -4.366 7.909 1.00 0.00 O ATOM 0 H GLU A 44 12.106 -0.032 5.708 1.00 0.00 H new ATOM 0 HA GLU A 44 14.071 -1.575 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.140 -2.070 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.235 -3.229 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.599 -3.299 6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.684 -1.990 6.860 1.00 0.00 H new ATOM 666 N LEU A 45 11.921 0.337 2.813 1.00 0.00 N ATOM 667 CA LEU A 45 11.402 0.853 1.553 1.00 0.00 C ATOM 668 C LEU A 45 12.541 1.256 0.625 1.00 0.00 C ATOM 669 O LEU A 45 12.603 0.825 -0.525 1.00 0.00 O ATOM 670 CB LEU A 45 10.488 2.057 1.793 1.00 0.00 C ATOM 671 CG LEU A 45 9.888 2.667 0.522 1.00 0.00 C ATOM 672 CD1 LEU A 45 8.989 1.663 -0.183 1.00 0.00 C ATOM 673 CD2 LEU A 45 9.116 3.935 0.849 1.00 0.00 C ATOM 0 H LEU A 45 11.755 0.945 3.615 1.00 0.00 H new ATOM 0 HA LEU A 45 10.824 0.058 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.675 1.753 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.054 2.827 2.317 1.00 0.00 H new ATOM 0 HG LEU A 45 10.706 2.926 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.573 2.116 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.571 0.782 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.178 1.370 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.698 4.353 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.309 3.701 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.787 4.662 1.306 1.00 0.00 H new ATOM 685 N LYS A 46 13.436 2.096 1.138 1.00 0.00 N ATOM 686 CA LYS A 46 14.579 2.577 0.368 1.00 0.00 C ATOM 687 C LYS A 46 15.435 1.420 -0.144 1.00 0.00 C ATOM 688 O LYS A 46 16.191 1.579 -1.097 1.00 0.00 O ATOM 689 CB LYS A 46 15.432 3.521 1.219 1.00 0.00 C ATOM 690 CG LYS A 46 15.938 2.893 2.509 1.00 0.00 C ATOM 691 CD LYS A 46 16.797 3.859 3.317 1.00 0.00 C ATOM 692 CE LYS A 46 15.986 5.021 3.878 1.00 0.00 C ATOM 693 NZ LYS A 46 15.507 5.945 2.811 1.00 0.00 N ATOM 0 H LYS A 46 13.391 2.459 2.090 1.00 0.00 H new ATOM 0 HA LYS A 46 14.193 3.119 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.285 3.856 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.845 4.407 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.089 2.571 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.519 2.001 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.272 3.321 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.596 4.247 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.130 4.631 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.596 5.577 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.668 6.929 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.027 5.758 1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.491 5.794 2.651 1.00 0.00 H new ATOM 707 N ASP A 47 15.309 0.258 0.491 1.00 0.00 N ATOM 708 CA ASP A 47 16.069 -0.924 0.097 1.00 0.00 C ATOM 709 C ASP A 47 15.651 -1.384 -1.295 1.00 0.00 C ATOM 710 O ASP A 47 16.361 -2.138 -1.957 1.00 0.00 O ATOM 711 CB ASP A 47 15.849 -2.046 1.113 1.00 0.00 C ATOM 712 CG ASP A 47 16.734 -3.254 0.865 1.00 0.00 C ATOM 713 OD1 ASP A 47 16.566 -3.911 -0.183 1.00 0.00 O ATOM 714 OD2 ASP A 47 17.596 -3.541 1.720 1.00 0.00 O ATOM 0 H ASP A 47 14.685 0.110 1.284 1.00 0.00 H new ATOM 0 HA ASP A 47 17.129 -0.670 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.039 -1.663 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.804 -2.356 1.083 1.00 0.00 H new ATOM 719 N GLY A 48 14.497 -0.899 -1.732 1.00 0.00 N ATOM 720 CA GLY A 48 13.987 -1.238 -3.044 1.00 0.00 C ATOM 721 C GLY A 48 14.434 -0.232 -4.072 1.00 0.00 C ATOM 722 O GLY A 48 14.850 -0.591 -5.173 1.00 0.00 O ATOM 0 H GLY A 48 13.900 -0.270 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.334 -2.232 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.898 -1.276 -3.016 1.00 0.00 H new ATOM 726 N LEU A 49 14.367 1.038 -3.692 1.00 0.00 N ATOM 727 CA LEU A 49 14.790 2.116 -4.566 1.00 0.00 C ATOM 728 C LEU A 49 16.307 2.134 -4.640 1.00 0.00 C ATOM 729 O LEU A 49 16.893 2.675 -5.576 1.00 0.00 O ATOM 730 CB LEU A 49 14.266 3.460 -4.053 1.00 0.00 C ATOM 731 CG LEU A 49 12.741 3.577 -3.973 1.00 0.00 C ATOM 732 CD1 LEU A 49 12.341 4.932 -3.411 1.00 0.00 C ATOM 733 CD2 LEU A 49 12.114 3.361 -5.344 1.00 0.00 C ATOM 0 H LEU A 49 14.022 1.343 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 49 14.381 1.952 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.681 3.639 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.642 4.250 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 49 12.371 2.802 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.254 4.999 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.758 5.049 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.723 5.722 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.030 3.448 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.490 4.113 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.373 2.367 -5.710 1.00 0.00 H new ATOM 745 N LYS A 50 16.939 1.520 -3.643 1.00 0.00 N ATOM 746 CA LYS A 50 18.389 1.449 -3.595 1.00 0.00 C ATOM 747 C LYS A 50 18.884 0.243 -4.383 1.00 0.00 C ATOM 748 O LYS A 50 19.878 0.322 -5.105 1.00 0.00 O ATOM 749 CB LYS A 50 18.887 1.370 -2.150 1.00 0.00 C ATOM 750 CG LYS A 50 20.404 1.367 -2.031 1.00 0.00 C ATOM 751 CD LYS A 50 20.866 1.303 -0.581 1.00 0.00 C ATOM 752 CE LYS A 50 20.600 -0.060 0.046 1.00 0.00 C ATOM 753 NZ LYS A 50 19.145 -0.336 0.199 1.00 0.00 N ATOM 0 H LYS A 50 16.467 1.066 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 50 18.787 2.358 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.488 2.216 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.492 0.466 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.808 0.515 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.806 2.266 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.932 1.523 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.354 2.073 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.052 -0.836 -0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.082 -0.109 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.987 -0.897 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.627 0.563 0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.804 -0.867 -0.627 1.00 0.00 H new ATOM 767 N ARG A 51 18.178 -0.873 -4.232 1.00 0.00 N ATOM 768 CA ARG A 51 18.536 -2.108 -4.922 1.00 0.00 C ATOM 769 C ARG A 51 18.500 -1.919 -6.438 1.00 0.00 C ATOM 770 O ARG A 51 19.334 -2.468 -7.158 1.00 0.00 O ATOM 771 CB ARG A 51 17.588 -3.239 -4.499 1.00 0.00 C ATOM 772 CG ARG A 51 17.969 -4.615 -5.034 1.00 0.00 C ATOM 773 CD ARG A 51 17.543 -4.807 -6.483 1.00 0.00 C ATOM 774 NE ARG A 51 17.999 -6.084 -7.025 1.00 0.00 N ATOM 775 CZ ARG A 51 19.282 -6.409 -7.178 1.00 0.00 C ATOM 776 NH1 ARG A 51 20.234 -5.547 -6.845 1.00 0.00 N ATOM 777 NH2 ARG A 51 19.612 -7.595 -7.669 1.00 0.00 N ATOM 0 H ARG A 51 17.353 -0.948 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 51 19.555 -2.376 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.557 -3.282 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 51 16.580 -2.997 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 51 19.048 -4.748 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.506 -5.384 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.457 -4.752 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.942 -3.993 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 51 17.294 -6.767 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 51 19.985 -4.632 -6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 51 21.215 -5.800 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.884 -8.260 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.594 -7.843 -7.786 1.00 0.00 H new ATOM 791 N VAL A 52 17.528 -1.149 -6.919 1.00 0.00 N ATOM 792 CA VAL A 52 17.390 -0.907 -8.352 1.00 0.00 C ATOM 793 C VAL A 52 18.572 -0.116 -8.903 1.00 0.00 C ATOM 794 O VAL A 52 18.888 -0.207 -10.089 1.00 0.00 O ATOM 795 CB VAL A 52 16.085 -0.158 -8.681 1.00 0.00 C ATOM 796 CG1 VAL A 52 14.878 -0.965 -8.230 1.00 0.00 C ATOM 797 CG2 VAL A 52 16.082 1.223 -8.043 1.00 0.00 C ATOM 0 H VAL A 52 16.828 -0.684 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 52 17.364 -1.888 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 52 16.025 -0.031 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.965 -0.420 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.872 -1.927 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.930 -1.127 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.151 1.735 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.168 1.124 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.925 1.801 -8.422 1.00 0.00 H new ATOM 807 N GLY A 53 19.229 0.654 -8.039 1.00 0.00 N ATOM 808 CA GLY A 53 20.372 1.436 -8.475 1.00 0.00 C ATOM 809 C GLY A 53 20.009 2.858 -8.862 1.00 0.00 C ATOM 810 O GLY A 53 20.411 3.336 -9.923 1.00 0.00 O ATOM 0 H GLY A 53 18.992 0.750 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.113 1.461 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.839 0.942 -9.327 1.00 0.00 H new ATOM 814 N SER A 54 19.263 3.542 -7.998 1.00 0.00 N ATOM 815 CA SER A 54 18.869 4.911 -8.251 1.00 0.00 C ATOM 816 C SER A 54 19.464 5.806 -7.180 1.00 0.00 C ATOM 817 O SER A 54 19.173 5.657 -5.993 1.00 0.00 O ATOM 818 CB SER A 54 17.346 5.044 -8.270 1.00 0.00 C ATOM 819 OG SER A 54 16.791 4.759 -6.999 1.00 0.00 O ATOM 0 H SER A 54 18.922 3.162 -7.115 1.00 0.00 H new ATOM 0 HA SER A 54 19.243 5.214 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.070 6.054 -8.572 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.928 4.364 -9.013 1.00 0.00 H new ATOM 0 HG SER A 54 16.916 3.809 -6.793 1.00 0.00 H new ATOM 825 N GLU A 55 20.302 6.730 -7.608 1.00 0.00 N ATOM 826 CA GLU A 55 20.954 7.653 -6.700 1.00 0.00 C ATOM 827 C GLU A 55 20.044 8.836 -6.422 1.00 0.00 C ATOM 828 O GLU A 55 20.497 9.964 -6.227 1.00 0.00 O ATOM 829 CB GLU A 55 22.275 8.109 -7.305 1.00 0.00 C ATOM 830 CG GLU A 55 23.382 7.068 -7.219 1.00 0.00 C ATOM 831 CD GLU A 55 23.752 6.713 -5.790 1.00 0.00 C ATOM 832 OE1 GLU A 55 22.884 6.188 -5.061 1.00 0.00 O ATOM 833 OE2 GLU A 55 24.913 6.959 -5.401 1.00 0.00 O ATOM 0 H GLU A 55 20.549 6.862 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 55 21.159 7.155 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 55 22.114 8.369 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 55 22.602 9.017 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.066 6.165 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.266 7.442 -7.735 1.00 0.00 H new ATOM 840 N LEU A 56 18.750 8.550 -6.413 1.00 0.00 N ATOM 841 CA LEU A 56 17.733 9.554 -6.167 1.00 0.00 C ATOM 842 C LEU A 56 17.909 10.182 -4.796 1.00 0.00 C ATOM 843 O LEU A 56 18.799 9.806 -4.033 1.00 0.00 O ATOM 844 CB LEU A 56 16.351 8.917 -6.244 1.00 0.00 C ATOM 845 CG LEU A 56 16.087 8.069 -7.491 1.00 0.00 C ATOM 846 CD1 LEU A 56 14.728 7.393 -7.397 1.00 0.00 C ATOM 847 CD2 LEU A 56 16.169 8.923 -8.748 1.00 0.00 C ATOM 0 H LEU A 56 18.379 7.614 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 56 17.833 10.329 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.209 8.291 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.602 9.708 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 56 16.855 7.297 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.557 6.794 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.702 6.748 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.949 8.151 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.978 8.302 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.424 9.717 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.163 9.363 -8.825 1.00 0.00 H new ATOM 859 N MET A 57 17.036 11.125 -4.483 1.00 0.00 N ATOM 860 CA MET A 57 17.072 11.792 -3.197 1.00 0.00 C ATOM 861 C MET A 57 16.353 10.949 -2.151 1.00 0.00 C ATOM 862 O MET A 57 15.204 10.548 -2.344 1.00 0.00 O ATOM 863 CB MET A 57 16.440 13.188 -3.281 1.00 0.00 C ATOM 864 CG MET A 57 14.980 13.198 -3.716 1.00 0.00 C ATOM 865 SD MET A 57 14.747 12.765 -5.453 1.00 0.00 S ATOM 866 CE MET A 57 15.720 14.035 -6.257 1.00 0.00 C ATOM 0 H MET A 57 16.293 11.445 -5.105 1.00 0.00 H new ATOM 0 HA MET A 57 18.115 11.911 -2.903 1.00 0.00 H new ATOM 0 HB2 MET A 57 16.518 13.667 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 57 17.018 13.793 -3.980 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.419 12.498 -3.096 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.562 14.189 -3.537 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.358 14.181 -7.275 1.00 0.00 H new ATOM 0 HE2 MET A 57 15.629 14.969 -5.702 1.00 0.00 H new ATOM 0 HE3 MET A 57 16.766 13.729 -6.284 1.00 0.00 H new ATOM 876 N GLU A 58 17.035 10.687 -1.043 1.00 0.00 N ATOM 877 CA GLU A 58 16.465 9.899 0.045 1.00 0.00 C ATOM 878 C GLU A 58 15.170 10.526 0.538 1.00 0.00 C ATOM 879 O GLU A 58 14.428 9.931 1.320 1.00 0.00 O ATOM 880 CB GLU A 58 17.471 9.790 1.191 1.00 0.00 C ATOM 881 CG GLU A 58 17.994 11.133 1.686 1.00 0.00 C ATOM 882 CD GLU A 58 17.034 11.840 2.626 1.00 0.00 C ATOM 883 OE1 GLU A 58 16.031 11.220 3.035 1.00 0.00 O ATOM 884 OE2 GLU A 58 17.299 13.012 2.970 1.00 0.00 O ATOM 0 H GLU A 58 17.988 11.010 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 58 16.241 8.899 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.003 9.265 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.314 9.181 0.864 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.945 10.979 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.193 11.776 0.829 1.00 0.00 H new ATOM 891 N SER A 59 14.916 11.735 0.065 1.00 0.00 N ATOM 892 CA SER A 59 13.717 12.479 0.438 1.00 0.00 C ATOM 893 C SER A 59 12.494 11.898 -0.255 1.00 0.00 C ATOM 894 O SER A 59 11.432 11.758 0.349 1.00 0.00 O ATOM 895 CB SER A 59 13.873 13.957 0.075 1.00 0.00 C ATOM 896 OG SER A 59 14.984 14.532 0.741 1.00 0.00 O ATOM 0 H SER A 59 15.529 12.229 -0.584 1.00 0.00 H new ATOM 0 HA SER A 59 13.581 12.394 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.999 14.058 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.965 14.498 0.342 1.00 0.00 H new ATOM 0 HG SER A 59 15.063 15.476 0.491 1.00 0.00 H new ATOM 902 N GLU A 60 12.661 11.548 -1.525 1.00 0.00 N ATOM 903 CA GLU A 60 11.588 10.963 -2.309 1.00 0.00 C ATOM 904 C GLU A 60 11.163 9.635 -1.698 1.00 0.00 C ATOM 905 O GLU A 60 10.108 9.099 -2.021 1.00 0.00 O ATOM 906 CB GLU A 60 12.040 10.762 -3.759 1.00 0.00 C ATOM 907 CG GLU A 60 10.952 10.222 -4.676 1.00 0.00 C ATOM 908 CD GLU A 60 9.790 11.185 -4.848 1.00 0.00 C ATOM 909 OE1 GLU A 60 9.848 12.299 -4.285 1.00 0.00 O ATOM 910 OE2 GLU A 60 8.823 10.826 -5.552 1.00 0.00 O ATOM 0 H GLU A 60 13.538 11.662 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 60 10.735 11.642 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.394 11.714 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.887 10.076 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.383 10.003 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.580 9.280 -4.274 1.00 0.00 H new ATOM 917 N ILE A 61 12.010 9.104 -0.820 1.00 0.00 N ATOM 918 CA ILE A 61 11.743 7.830 -0.164 1.00 0.00 C ATOM 919 C ILE A 61 10.965 8.017 1.139 1.00 0.00 C ATOM 920 O ILE A 61 10.165 7.162 1.518 1.00 0.00 O ATOM 921 CB ILE A 61 13.056 7.089 0.150 1.00 0.00 C ATOM 922 CG1 ILE A 61 13.981 7.107 -1.071 1.00 0.00 C ATOM 923 CG2 ILE A 61 12.762 5.659 0.585 1.00 0.00 C ATOM 924 CD1 ILE A 61 15.311 6.422 -0.838 1.00 0.00 C ATOM 0 H ILE A 61 12.891 9.540 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 61 11.141 7.241 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 61 13.562 7.600 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 61 13.475 6.623 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 61 14.162 8.141 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 13.698 5.146 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 61 12.137 5.672 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 12.240 5.135 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 15.912 6.475 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 61 15.839 6.919 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 61 15.141 5.378 -0.576 1.00 0.00 H new ATOM 936 N LYS A 62 11.217 9.126 1.831 1.00 0.00 N ATOM 937 CA LYS A 62 10.550 9.401 3.102 1.00 0.00 C ATOM 938 C LYS A 62 9.200 10.085 2.904 1.00 0.00 C ATOM 939 O LYS A 62 8.267 9.861 3.675 1.00 0.00 O ATOM 940 CB LYS A 62 11.458 10.243 4.010 1.00 0.00 C ATOM 941 CG LYS A 62 11.899 11.570 3.407 1.00 0.00 C ATOM 942 CD LYS A 62 10.836 12.646 3.560 1.00 0.00 C ATOM 943 CE LYS A 62 11.288 13.965 2.955 1.00 0.00 C ATOM 944 NZ LYS A 62 12.541 14.463 3.585 1.00 0.00 N ATOM 0 H LYS A 62 11.876 9.846 1.535 1.00 0.00 H new ATOM 0 HA LYS A 62 10.357 8.443 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.933 10.440 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.344 9.659 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.820 11.899 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.124 11.431 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.915 12.320 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.610 12.788 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.446 13.838 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.500 14.709 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.680 15.464 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.471 14.368 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.348 13.906 3.240 1.00 0.00 H new ATOM 958 N ASP A 63 9.095 10.917 1.873 1.00 0.00 N ATOM 959 CA ASP A 63 7.850 11.622 1.593 1.00 0.00 C ATOM 960 C ASP A 63 6.896 10.728 0.812 1.00 0.00 C ATOM 961 O ASP A 63 5.693 10.984 0.752 1.00 0.00 O ATOM 962 CB ASP A 63 8.121 12.915 0.818 1.00 0.00 C ATOM 963 CG ASP A 63 8.781 12.671 -0.527 1.00 0.00 C ATOM 964 OD1 ASP A 63 9.025 11.495 -0.868 1.00 0.00 O ATOM 965 OD2 ASP A 63 9.055 13.659 -1.239 1.00 0.00 O ATOM 0 H ASP A 63 9.853 11.119 1.221 1.00 0.00 H new ATOM 0 HA ASP A 63 7.385 11.882 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.181 13.444 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.759 13.565 1.417 1.00 0.00 H new ATOM 970 N LEU A 64 7.447 9.676 0.218 1.00 0.00 N ATOM 971 CA LEU A 64 6.658 8.733 -0.561 1.00 0.00 C ATOM 972 C LEU A 64 6.083 7.649 0.344 1.00 0.00 C ATOM 973 O LEU A 64 4.990 7.138 0.104 1.00 0.00 O ATOM 974 CB LEU A 64 7.527 8.095 -1.646 1.00 0.00 C ATOM 975 CG LEU A 64 6.767 7.293 -2.705 1.00 0.00 C ATOM 976 CD1 LEU A 64 5.856 8.203 -3.515 1.00 0.00 C ATOM 977 CD2 LEU A 64 7.740 6.560 -3.617 1.00 0.00 C ATOM 0 H LEU A 64 8.442 9.455 0.262 1.00 0.00 H new ATOM 0 HA LEU A 64 5.836 9.272 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.091 8.882 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.253 7.437 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 64 6.147 6.554 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.325 7.614 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.136 8.681 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.454 8.967 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.183 5.995 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.386 7.283 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.349 5.877 -3.025 1.00 0.00 H new ATOM 989 N MET A 65 6.836 7.304 1.385 1.00 0.00 N ATOM 990 CA MET A 65 6.417 6.278 2.334 1.00 0.00 C ATOM 991 C MET A 65 5.302 6.788 3.242 1.00 0.00 C ATOM 992 O MET A 65 4.417 6.029 3.640 1.00 0.00 O ATOM 993 CB MET A 65 7.614 5.826 3.174 1.00 0.00 C ATOM 994 CG MET A 65 7.291 4.717 4.162 1.00 0.00 C ATOM 995 SD MET A 65 6.496 3.299 3.381 1.00 0.00 S ATOM 996 CE MET A 65 6.207 2.250 4.804 1.00 0.00 C ATOM 0 H MET A 65 7.743 7.722 1.593 1.00 0.00 H new ATOM 0 HA MET A 65 6.030 5.429 1.770 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.405 5.485 2.507 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.006 6.684 3.721 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.210 4.391 4.649 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.639 5.110 4.942 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.494 1.226 4.565 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.801 2.607 5.646 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.150 2.278 5.068 1.00 0.00 H new ATOM 1006 N ASP A 66 5.350 8.076 3.570 1.00 0.00 N ATOM 1007 CA ASP A 66 4.344 8.684 4.435 1.00 0.00 C ATOM 1008 C ASP A 66 3.029 8.891 3.689 1.00 0.00 C ATOM 1009 O ASP A 66 1.952 8.812 4.279 1.00 0.00 O ATOM 1010 CB ASP A 66 4.850 10.022 4.977 1.00 0.00 C ATOM 1011 CG ASP A 66 3.840 10.699 5.883 1.00 0.00 C ATOM 1012 OD1 ASP A 66 3.477 10.102 6.918 1.00 0.00 O ATOM 1013 OD2 ASP A 66 3.413 11.826 5.556 1.00 0.00 O ATOM 0 H ASP A 66 6.075 8.719 3.250 1.00 0.00 H new ATOM 0 HA ASP A 66 4.163 8.004 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.777 9.861 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.086 10.683 4.143 1.00 0.00 H new ATOM 1018 N ALA A 67 3.125 9.162 2.391 1.00 0.00 N ATOM 1019 CA ALA A 67 1.942 9.388 1.567 1.00 0.00 C ATOM 1020 C ALA A 67 1.353 8.073 1.065 1.00 0.00 C ATOM 1021 O ALA A 67 0.222 8.035 0.581 1.00 0.00 O ATOM 1022 CB ALA A 67 2.284 10.294 0.393 1.00 0.00 C ATOM 0 H ALA A 67 4.009 9.230 1.887 1.00 0.00 H new ATOM 0 HA ALA A 67 1.190 9.876 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.393 10.455 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.647 11.252 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.058 9.825 -0.215 1.00 0.00 H new ATOM 1028 N ALA A 68 2.128 6.999 1.177 1.00 0.00 N ATOM 1029 CA ALA A 68 1.679 5.686 0.727 1.00 0.00 C ATOM 1030 C ALA A 68 1.162 4.845 1.891 1.00 0.00 C ATOM 1031 O ALA A 68 0.415 3.887 1.691 1.00 0.00 O ATOM 1032 CB ALA A 68 2.809 4.965 0.009 1.00 0.00 C ATOM 0 H ALA A 68 3.067 7.012 1.574 1.00 0.00 H new ATOM 0 HA ALA A 68 0.852 5.831 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.463 3.986 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.123 5.551 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.652 4.841 0.689 1.00 0.00 H new ATOM 1038 N ASP A 69 1.560 5.210 3.106 1.00 0.00 N ATOM 1039 CA ASP A 69 1.132 4.490 4.301 1.00 0.00 C ATOM 1040 C ASP A 69 0.330 5.403 5.221 1.00 0.00 C ATOM 1041 O ASP A 69 0.882 6.065 6.100 1.00 0.00 O ATOM 1042 CB ASP A 69 2.346 3.912 5.034 1.00 0.00 C ATOM 1043 CG ASP A 69 1.987 3.227 6.345 1.00 0.00 C ATOM 1044 OD1 ASP A 69 0.781 3.113 6.653 1.00 0.00 O ATOM 1045 OD2 ASP A 69 2.916 2.794 7.058 1.00 0.00 O ATOM 0 H ASP A 69 2.178 6.000 3.289 1.00 0.00 H new ATOM 0 HA ASP A 69 0.487 3.666 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.848 3.196 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.057 4.714 5.234 1.00 0.00 H new ATOM 1050 N ILE A 70 -0.980 5.427 5.005 1.00 0.00 N ATOM 1051 CA ILE A 70 -1.882 6.250 5.800 1.00 0.00 C ATOM 1052 C ILE A 70 -2.265 5.535 7.091 1.00 0.00 C ATOM 1053 O ILE A 70 -2.680 6.166 8.064 1.00 0.00 O ATOM 1054 CB ILE A 70 -3.165 6.612 5.012 1.00 0.00 C ATOM 1055 CG1 ILE A 70 -2.827 7.446 3.770 1.00 0.00 C ATOM 1056 CG2 ILE A 70 -4.148 7.365 5.897 1.00 0.00 C ATOM 1057 CD1 ILE A 70 -2.108 6.674 2.684 1.00 0.00 C ATOM 0 H ILE A 70 -1.444 4.881 4.279 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.351 7.172 6.039 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.631 5.682 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.749 7.857 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.208 8.291 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.042 7.609 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.423 6.742 6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.685 8.284 6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.905 7.335 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.167 6.286 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.733 5.845 2.353 1.00 0.00 H new ATOM 1069 N ASP A 71 -2.124 4.212 7.094 1.00 0.00 N ATOM 1070 CA ASP A 71 -2.460 3.414 8.267 1.00 0.00 C ATOM 1071 C ASP A 71 -1.644 3.860 9.479 1.00 0.00 C ATOM 1072 O ASP A 71 -1.999 3.566 10.620 1.00 0.00 O ATOM 1073 CB ASP A 71 -2.213 1.935 7.977 1.00 0.00 C ATOM 1074 CG ASP A 71 -2.761 1.021 9.056 1.00 0.00 C ATOM 1075 OD1 ASP A 71 -3.417 1.525 9.991 1.00 0.00 O ATOM 1076 OD2 ASP A 71 -2.539 -0.204 8.959 1.00 0.00 O ATOM 0 H ASP A 71 -1.780 3.672 6.299 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.515 3.561 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.671 1.676 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.141 1.765 7.874 1.00 0.00 H new ATOM 1081 N LYS A 72 -0.550 4.578 9.220 1.00 0.00 N ATOM 1082 CA LYS A 72 0.318 5.077 10.285 1.00 0.00 C ATOM 1083 C LYS A 72 0.942 3.929 11.068 1.00 0.00 C ATOM 1084 O LYS A 72 1.515 4.132 12.139 1.00 0.00 O ATOM 1085 CB LYS A 72 -0.472 5.978 11.232 1.00 0.00 C ATOM 1086 CG LYS A 72 -1.115 7.166 10.541 1.00 0.00 C ATOM 1087 CD LYS A 72 -0.073 8.131 9.997 1.00 0.00 C ATOM 1088 CE LYS A 72 -0.721 9.322 9.308 1.00 0.00 C ATOM 1089 NZ LYS A 72 0.293 10.287 8.801 1.00 0.00 N ATOM 0 H LYS A 72 -0.244 4.827 8.279 1.00 0.00 H new ATOM 0 HA LYS A 72 1.119 5.654 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.248 5.388 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.193 6.340 12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.747 6.815 9.725 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.764 7.689 11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.560 8.481 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.574 7.609 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.336 8.972 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.387 9.828 10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.188 11.085 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.863 10.641 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.913 9.811 8.115 1.00 0.00 H new ATOM 1103 N SER A 73 0.825 2.726 10.527 1.00 0.00 N ATOM 1104 CA SER A 73 1.377 1.538 11.175 1.00 0.00 C ATOM 1105 C SER A 73 2.895 1.492 11.038 1.00 0.00 C ATOM 1106 O SER A 73 3.548 0.592 11.568 1.00 0.00 O ATOM 1107 CB SER A 73 0.768 0.270 10.577 1.00 0.00 C ATOM 1108 OG SER A 73 -0.637 0.253 10.742 1.00 0.00 O ATOM 0 H SER A 73 0.354 2.543 9.641 1.00 0.00 H new ATOM 0 HA SER A 73 1.126 1.592 12.234 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.013 0.210 9.517 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.204 -0.607 11.055 1.00 0.00 H new ATOM 0 HG SER A 73 -1.043 -0.284 10.030 1.00 0.00 H new ATOM 1114 N GLY A 74 3.451 2.461 10.317 1.00 0.00 N ATOM 1115 CA GLY A 74 4.888 2.505 10.116 1.00 0.00 C ATOM 1116 C GLY A 74 5.321 1.649 8.943 1.00 0.00 C ATOM 1117 O GLY A 74 6.348 1.911 8.316 1.00 0.00 O ATOM 0 H GLY A 74 2.932 3.216 9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.200 3.536 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.392 2.163 11.020 1.00 0.00 H new ATOM 1121 N THR A 75 4.524 0.629 8.642 1.00 0.00 N ATOM 1122 CA THR A 75 4.807 -0.271 7.531 1.00 0.00 C ATOM 1123 C THR A 75 3.691 -0.191 6.497 1.00 0.00 C ATOM 1124 O THR A 75 2.517 -0.072 6.850 1.00 0.00 O ATOM 1125 CB THR A 75 4.957 -1.709 8.029 1.00 0.00 C ATOM 1126 OG1 THR A 75 3.758 -2.158 8.634 1.00 0.00 O ATOM 1127 CG2 THR A 75 6.072 -1.880 9.038 1.00 0.00 C ATOM 0 H THR A 75 3.672 0.405 9.156 1.00 0.00 H new ATOM 0 HA THR A 75 5.745 0.035 7.068 1.00 0.00 H new ATOM 0 HB THR A 75 5.197 -2.297 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.874 -3.080 8.944 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.124 -2.923 9.350 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.020 -1.589 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.876 -1.251 9.906 1.00 0.00 H new ATOM 1135 N ILE A 76 4.057 -0.245 5.222 1.00 0.00 N ATOM 1136 CA ILE A 76 3.074 -0.167 4.151 1.00 0.00 C ATOM 1137 C ILE A 76 2.699 -1.549 3.633 1.00 0.00 C ATOM 1138 O ILE A 76 3.551 -2.434 3.505 1.00 0.00 O ATOM 1139 CB ILE A 76 3.580 0.693 2.975 1.00 0.00 C ATOM 1140 CG1 ILE A 76 2.472 0.872 1.935 1.00 0.00 C ATOM 1141 CG2 ILE A 76 4.813 0.062 2.343 1.00 0.00 C ATOM 1142 CD1 ILE A 76 2.898 1.689 0.734 1.00 0.00 C ATOM 0 H ILE A 76 5.022 -0.342 4.907 1.00 0.00 H new ATOM 0 HA ILE A 76 2.190 0.304 4.580 1.00 0.00 H new ATOM 0 HB ILE A 76 3.858 1.675 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.139 -0.110 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.616 1.354 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.156 0.683 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.604 -0.017 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.563 -0.932 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.063 1.775 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.203 2.683 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.735 1.197 0.238 1.00 0.00 H new ATOM 1154 N ASP A 77 1.415 -1.721 3.331 1.00 0.00 N ATOM 1155 CA ASP A 77 0.911 -2.989 2.817 1.00 0.00 C ATOM 1156 C ASP A 77 -0.024 -2.756 1.633 1.00 0.00 C ATOM 1157 O ASP A 77 -0.621 -1.689 1.505 1.00 0.00 O ATOM 1158 CB ASP A 77 0.182 -3.763 3.918 1.00 0.00 C ATOM 1159 CG ASP A 77 -1.003 -3.001 4.478 1.00 0.00 C ATOM 1160 OD1 ASP A 77 -0.795 -1.900 5.029 1.00 0.00 O ATOM 1161 OD2 ASP A 77 -2.140 -3.506 4.364 1.00 0.00 O ATOM 0 H ASP A 77 0.704 -0.996 3.434 1.00 0.00 H new ATOM 0 HA ASP A 77 1.762 -3.580 2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.160 -4.718 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.881 -3.985 4.725 1.00 0.00 H new ATOM 1166 N TYR A 78 -0.138 -3.761 0.770 1.00 0.00 N ATOM 1167 CA TYR A 78 -0.996 -3.678 -0.416 1.00 0.00 C ATOM 1168 C TYR A 78 -2.343 -3.022 -0.111 1.00 0.00 C ATOM 1169 O TYR A 78 -2.851 -2.237 -0.912 1.00 0.00 O ATOM 1170 CB TYR A 78 -1.229 -5.073 -0.998 1.00 0.00 C ATOM 1171 CG TYR A 78 -0.117 -5.564 -1.902 1.00 0.00 C ATOM 1172 CD1 TYR A 78 1.215 -5.251 -1.653 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -0.409 -6.341 -3.013 1.00 0.00 C ATOM 1174 CE1 TYR A 78 2.221 -5.702 -2.489 1.00 0.00 C ATOM 1175 CE2 TYR A 78 0.588 -6.796 -3.852 1.00 0.00 C ATOM 1176 CZ TYR A 78 1.901 -6.474 -3.587 1.00 0.00 C ATOM 1177 OH TYR A 78 2.898 -6.926 -4.421 1.00 0.00 O ATOM 0 H TYR A 78 0.355 -4.649 0.868 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.477 -3.053 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.354 -5.780 -0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.163 -5.068 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.468 -4.647 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.437 -6.595 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.251 -5.451 -2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.340 -7.401 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 78 2.504 -7.456 -5.145 1.00 0.00 H new ATOM 1187 N GLY A 79 -2.918 -3.355 1.041 1.00 0.00 N ATOM 1188 CA GLY A 79 -4.205 -2.795 1.423 1.00 0.00 C ATOM 1189 C GLY A 79 -4.248 -1.281 1.316 1.00 0.00 C ATOM 1190 O GLY A 79 -5.198 -0.718 0.774 1.00 0.00 O ATOM 0 H GLY A 79 -2.516 -4.003 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.983 -3.221 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.433 -3.088 2.448 1.00 0.00 H new ATOM 1194 N GLU A 80 -3.220 -0.625 1.840 1.00 0.00 N ATOM 1195 CA GLU A 80 -3.138 0.832 1.808 1.00 0.00 C ATOM 1196 C GLU A 80 -2.460 1.321 0.530 1.00 0.00 C ATOM 1197 O GLU A 80 -3.011 2.149 -0.195 1.00 0.00 O ATOM 1198 CB GLU A 80 -2.384 1.331 3.039 1.00 0.00 C ATOM 1199 CG GLU A 80 -1.045 0.647 3.238 1.00 0.00 C ATOM 1200 CD GLU A 80 -0.392 1.007 4.551 1.00 0.00 C ATOM 1201 OE1 GLU A 80 -0.990 0.725 5.609 1.00 0.00 O ATOM 1202 OE2 GLU A 80 0.718 1.565 4.521 1.00 0.00 O ATOM 0 H GLU A 80 -2.428 -1.080 2.294 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.151 1.235 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.226 2.406 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.001 1.172 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.184 -0.433 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.378 0.919 2.420 1.00 0.00 H new ATOM 1209 N PHE A 81 -1.260 0.805 0.268 1.00 0.00 N ATOM 1210 CA PHE A 81 -0.488 1.176 -0.916 1.00 0.00 C ATOM 1211 C PHE A 81 -1.362 1.264 -2.168 1.00 0.00 C ATOM 1212 O PHE A 81 -1.147 2.124 -3.022 1.00 0.00 O ATOM 1213 CB PHE A 81 0.629 0.156 -1.147 1.00 0.00 C ATOM 1214 CG PHE A 81 1.452 0.425 -2.375 1.00 0.00 C ATOM 1215 CD1 PHE A 81 2.006 1.676 -2.597 1.00 0.00 C ATOM 1216 CD2 PHE A 81 1.669 -0.575 -3.308 1.00 0.00 C ATOM 1217 CE1 PHE A 81 2.762 1.923 -3.726 1.00 0.00 C ATOM 1218 CE2 PHE A 81 2.424 -0.334 -4.440 1.00 0.00 C ATOM 1219 CZ PHE A 81 2.971 0.917 -4.649 1.00 0.00 C ATOM 0 H PHE A 81 -0.798 0.121 0.867 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.065 2.164 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.285 0.146 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.190 -0.838 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.845 2.466 -1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.243 -1.555 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.189 2.902 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.586 -1.122 -5.160 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.561 1.108 -5.533 1.00 0.00 H new ATOM 1229 N ILE A 82 -2.335 0.362 -2.277 1.00 0.00 N ATOM 1230 CA ILE A 82 -3.228 0.331 -3.433 1.00 0.00 C ATOM 1231 C ILE A 82 -3.824 1.716 -3.701 1.00 0.00 C ATOM 1232 O ILE A 82 -3.906 2.153 -4.849 1.00 0.00 O ATOM 1233 CB ILE A 82 -4.356 -0.717 -3.236 1.00 0.00 C ATOM 1234 CG1 ILE A 82 -5.016 -1.088 -4.575 1.00 0.00 C ATOM 1235 CG2 ILE A 82 -5.396 -0.216 -2.243 1.00 0.00 C ATOM 1236 CD1 ILE A 82 -5.836 0.018 -5.208 1.00 0.00 C ATOM 0 H ILE A 82 -2.525 -0.357 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.638 0.038 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.900 -1.619 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.238 -1.391 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.659 -1.954 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.176 -0.968 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.920 -0.029 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.838 0.708 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.261 -0.336 -6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.640 0.307 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.197 0.880 -5.401 1.00 0.00 H new ATOM 1248 N ALA A 83 -4.229 2.404 -2.635 1.00 0.00 N ATOM 1249 CA ALA A 83 -4.811 3.737 -2.755 1.00 0.00 C ATOM 1250 C ALA A 83 -3.917 4.657 -3.581 1.00 0.00 C ATOM 1251 O ALA A 83 -4.405 5.477 -4.359 1.00 0.00 O ATOM 1252 CB ALA A 83 -5.052 4.333 -1.377 1.00 0.00 C ATOM 0 H ALA A 83 -4.164 2.059 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.766 3.643 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.486 5.327 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.737 3.695 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.106 4.405 -0.841 1.00 0.00 H new ATOM 1258 N ALA A 84 -2.607 4.511 -3.408 1.00 0.00 N ATOM 1259 CA ALA A 84 -1.645 5.325 -4.140 1.00 0.00 C ATOM 1260 C ALA A 84 -1.526 4.858 -5.587 1.00 0.00 C ATOM 1261 O ALA A 84 -1.026 3.766 -5.857 1.00 0.00 O ATOM 1262 CB ALA A 84 -0.287 5.281 -3.455 1.00 0.00 C ATOM 0 H ALA A 84 -2.188 3.837 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.003 6.355 -4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.422 5.893 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.379 5.666 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.070 4.252 -3.422 1.00 0.00 H new ATOM 1268 N THR A 85 -1.993 5.690 -6.513 1.00 0.00 N ATOM 1269 CA THR A 85 -1.945 5.361 -7.933 1.00 0.00 C ATOM 1270 C THR A 85 -0.570 5.667 -8.520 1.00 0.00 C ATOM 1271 O THR A 85 -0.192 6.830 -8.668 1.00 0.00 O ATOM 1272 CB THR A 85 -3.023 6.138 -8.693 1.00 0.00 C ATOM 1273 OG1 THR A 85 -4.308 5.851 -8.173 1.00 0.00 O ATOM 1274 CG2 THR A 85 -3.051 5.833 -10.175 1.00 0.00 C ATOM 0 H THR A 85 -2.409 6.598 -6.305 1.00 0.00 H new ATOM 0 HA THR A 85 -2.133 4.292 -8.039 1.00 0.00 H new ATOM 0 HB THR A 85 -2.767 7.189 -8.560 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.983 6.358 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.838 6.417 -10.652 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.089 6.090 -10.618 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.247 4.771 -10.324 1.00 0.00 H new ATOM 1282 N VAL A 86 0.172 4.616 -8.858 1.00 0.00 N ATOM 1283 CA VAL A 86 1.502 4.770 -9.435 1.00 0.00 C ATOM 1284 C VAL A 86 1.414 5.164 -10.907 1.00 0.00 C ATOM 1285 O VAL A 86 0.601 4.622 -11.656 1.00 0.00 O ATOM 1286 CB VAL A 86 2.325 3.472 -9.305 1.00 0.00 C ATOM 1287 CG1 VAL A 86 3.699 3.638 -9.939 1.00 0.00 C ATOM 1288 CG2 VAL A 86 2.454 3.068 -7.844 1.00 0.00 C ATOM 0 H VAL A 86 -0.127 3.648 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 86 2.003 5.562 -8.878 1.00 0.00 H new ATOM 0 HB VAL A 86 1.800 2.679 -9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.262 2.710 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.585 3.877 -10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.235 4.445 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.037 2.150 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.955 3.862 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.462 2.902 -7.423 1.00 0.00 H new ATOM 1298 N HIS A 87 2.254 6.111 -11.312 1.00 0.00 N ATOM 1299 CA HIS A 87 2.270 6.580 -12.693 1.00 0.00 C ATOM 1300 C HIS A 87 3.044 5.615 -13.586 1.00 0.00 C ATOM 1301 O HIS A 87 4.205 5.303 -13.251 1.00 0.00 O ATOM 1302 CB HIS A 87 2.892 7.975 -12.769 1.00 0.00 C ATOM 1303 CG HIS A 87 2.211 8.980 -11.893 1.00 0.00 C ATOM 1304 ND1 HIS A 87 0.872 9.291 -12.003 1.00 0.00 N ATOM 1305 CD2 HIS A 87 2.692 9.746 -10.885 1.00 0.00 C ATOM 1306 CE1 HIS A 87 0.559 10.205 -11.102 1.00 0.00 C ATOM 1307 NE2 HIS A 87 1.645 10.497 -10.411 1.00 0.00 N ATOM 1308 OXT HIS A 87 2.480 5.177 -14.611 1.00 0.00 O ATOM 0 H HIS A 87 2.933 6.569 -10.703 1.00 0.00 H new ATOM 0 HA HIS A 87 1.241 6.628 -13.048 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.943 7.912 -12.487 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.859 8.323 -13.801 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.709 9.763 -10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.419 10.639 -10.956 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.698 11.172 -9.648 1.00 0.00 H new TER 1317 HIS A 87 HETATM 1318 CA CA A 88 8.671 -5.530 7.613 1.00 0.00 CA HETATM 1319 CA CA A 89 0.076 0.597 8.022 1.00 0.00 CA