USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 64 ASN : amide:sc= -0.18 K(o=-0.17,f=0.45) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.00883 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 TYR OH : rot 80:sc= 0.357 USER MOD Single : A 4 SER OG : rot 32:sc= 0.0745 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0.967 (180deg=0.932) USER MOD Single : A 11 THR OG1 : rot -69:sc= -0.513 USER MOD Single : A 12 THR OG1 : rot 71:sc= 0.0792 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 171:sc= -0.121 USER MOD Single : A 31 MET CE :methyl -150:sc=-0.00346 (180deg=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 0.686 (180deg=0.38) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0.721 (180deg=0.44) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -24:sc= -0.0961 USER MOD Single : A 44 GLN : amide:sc= -0.768 K(o=-0.77,f=-0.008) USER MOD Single : A 49 TYR OH : rot 53:sc= 0.267 USER MOD Single : A 50 ASN : amide:sc= 0.0595 X(o=0.059,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= -0.357 (180deg=-0.363) USER MOD Single : A 75 THR OG1 : rot 41:sc= 0.0831 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.042 -3.575 -1.775 1.00 0.00 N ATOM 29 CA SER A 4 -3.951 -2.429 -1.881 1.00 0.00 C ATOM 30 C SER A 4 -3.402 -1.375 -2.864 1.00 0.00 C ATOM 31 O SER A 4 -2.186 -1.194 -2.991 1.00 0.00 O ATOM 32 CB SER A 4 -4.159 -1.798 -0.490 1.00 0.00 C ATOM 33 OG SER A 4 -4.644 -2.746 0.446 1.00 0.00 O ATOM 0 HA SER A 4 -4.908 -2.783 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.216 -1.383 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.863 -0.969 -0.567 1.00 0.00 H new ATOM 0 HG SER A 4 -4.291 -3.633 0.226 1.00 0.00 H new ATOM 39 N LEU A 5 -4.320 -0.690 -3.550 1.00 0.00 N ATOM 40 CA LEU A 5 -4.005 0.327 -4.556 1.00 0.00 C ATOM 41 C LEU A 5 -4.704 1.657 -4.230 1.00 0.00 C ATOM 42 O LEU A 5 -5.882 1.692 -3.858 1.00 0.00 O ATOM 43 CB LEU A 5 -4.350 -0.219 -5.981 1.00 0.00 C ATOM 44 CG LEU A 5 -5.613 -1.145 -6.127 1.00 0.00 C ATOM 45 CD1 LEU A 5 -6.942 -0.359 -6.117 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.494 -2.026 -7.386 1.00 0.00 C ATOM 0 H LEU A 5 -5.322 -0.829 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.936 0.541 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.484 0.636 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.485 -0.773 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.637 -1.789 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.776 -1.053 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.037 0.184 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.953 0.348 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.376 -2.660 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.417 -1.391 -8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.604 -2.651 -7.310 1.00 0.00 H new ATOM 58 N GLU A 6 -3.941 2.749 -4.353 1.00 0.00 N ATOM 59 CA GLU A 6 -4.398 4.097 -3.996 1.00 0.00 C ATOM 60 C GLU A 6 -5.096 4.743 -5.203 1.00 0.00 C ATOM 61 O GLU A 6 -4.444 5.138 -6.173 1.00 0.00 O ATOM 62 CB GLU A 6 -3.203 4.954 -3.518 1.00 0.00 C ATOM 63 CG GLU A 6 -3.559 6.409 -3.144 1.00 0.00 C ATOM 64 CD GLU A 6 -2.315 7.292 -2.972 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.694 7.641 -4.000 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.952 7.633 -1.824 1.00 0.00 O ATOM 0 H GLU A 6 -2.984 2.722 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.115 4.033 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.751 4.471 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.448 4.970 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.198 6.834 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.134 6.413 -2.218 1.00 0.00 H new ATOM 73 N ILE A 7 -6.427 4.806 -5.146 1.00 0.00 N ATOM 74 CA ILE A 7 -7.261 5.393 -6.211 1.00 0.00 C ATOM 75 C ILE A 7 -7.839 6.745 -5.769 1.00 0.00 C ATOM 76 O ILE A 7 -7.567 7.224 -4.661 1.00 0.00 O ATOM 77 CB ILE A 7 -8.438 4.430 -6.593 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.414 4.223 -5.377 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.867 3.084 -7.086 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.739 3.576 -5.723 1.00 0.00 C ATOM 0 H ILE A 7 -6.966 4.450 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.623 5.543 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.017 4.881 -7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.912 3.610 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.609 5.192 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.687 2.416 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.240 3.254 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.271 2.630 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.342 3.476 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.269 4.196 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.561 2.590 -6.152 1.00 0.00 H new ATOM 92 N LYS A 8 -8.658 7.346 -6.650 1.00 0.00 N ATOM 93 CA LYS A 8 -9.327 8.635 -6.393 1.00 0.00 C ATOM 94 C LYS A 8 -10.826 8.538 -6.714 1.00 0.00 C ATOM 95 O LYS A 8 -11.224 7.744 -7.566 1.00 0.00 O ATOM 96 CB LYS A 8 -8.655 9.753 -7.233 1.00 0.00 C ATOM 97 CG LYS A 8 -7.153 10.014 -6.877 1.00 0.00 C ATOM 98 CD LYS A 8 -6.174 9.702 -8.034 1.00 0.00 C ATOM 99 CE LYS A 8 -6.326 10.671 -9.219 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.311 10.432 -10.275 1.00 0.00 N ATOM 0 H LYS A 8 -8.876 6.950 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.225 8.882 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.725 9.490 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.214 10.679 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.035 11.057 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.884 9.408 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.151 9.749 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.341 8.682 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.323 10.566 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.240 11.697 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.524 11.026 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.367 10.672 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.329 9.430 -10.554 1.00 0.00 H new ATOM 114 N ILE A 9 -11.661 9.315 -5.986 1.00 0.00 N ATOM 115 CA ILE A 9 -13.108 9.437 -6.266 1.00 0.00 C ATOM 116 C ILE A 9 -13.471 10.936 -6.385 1.00 0.00 C ATOM 117 O ILE A 9 -13.482 11.667 -5.386 1.00 0.00 O ATOM 118 CB ILE A 9 -14.047 8.771 -5.167 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.809 7.222 -4.993 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.541 9.040 -5.503 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.595 6.829 -4.166 1.00 0.00 C ATOM 0 H ILE A 9 -11.350 9.873 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.286 8.895 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.785 9.237 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.696 6.787 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.712 6.775 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.173 8.579 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.722 10.115 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.777 8.615 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.528 5.742 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.693 7.225 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.692 7.237 -3.160 1.00 0.00 H new ATOM 133 N ARG A 10 -13.759 11.376 -7.610 1.00 0.00 N ATOM 134 CA ARG A 10 -14.211 12.747 -7.906 1.00 0.00 C ATOM 135 C ARG A 10 -15.733 12.864 -7.663 1.00 0.00 C ATOM 136 O ARG A 10 -16.531 12.276 -8.391 1.00 0.00 O ATOM 137 CB ARG A 10 -13.854 13.085 -9.375 1.00 0.00 C ATOM 138 CG ARG A 10 -14.310 14.476 -9.877 1.00 0.00 C ATOM 139 CD ARG A 10 -13.931 14.702 -11.352 1.00 0.00 C ATOM 140 NE ARG A 10 -14.393 16.008 -11.863 1.00 0.00 N ATOM 141 CZ ARG A 10 -13.663 16.840 -12.623 1.00 0.00 C ATOM 142 NH1 ARG A 10 -12.381 16.595 -12.859 1.00 0.00 N ATOM 143 NH2 ARG A 10 -14.212 17.934 -13.118 1.00 0.00 N ATOM 0 H ARG A 10 -13.686 10.787 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.712 13.457 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.773 13.014 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.294 12.325 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.390 14.569 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.855 15.252 -9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.848 14.636 -11.459 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.360 13.906 -11.960 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.339 16.301 -11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.939 15.766 -12.461 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.838 17.235 -13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.190 18.147 -12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.658 18.566 -13.695 1.00 0.00 H new ATOM 157 N THR A 11 -16.116 13.609 -6.619 1.00 0.00 N ATOM 158 CA THR A 11 -17.524 13.793 -6.223 1.00 0.00 C ATOM 159 C THR A 11 -18.307 14.700 -7.208 1.00 0.00 C ATOM 160 O THR A 11 -17.711 15.331 -8.088 1.00 0.00 O ATOM 161 CB THR A 11 -17.571 14.429 -4.804 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.976 15.730 -4.869 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.818 13.581 -3.765 1.00 0.00 C ATOM 0 H THR A 11 -15.457 14.105 -6.020 1.00 0.00 H new ATOM 0 HA THR A 11 -17.999 12.812 -6.233 1.00 0.00 H new ATOM 0 HB THR A 11 -18.613 14.487 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.012 15.642 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.877 14.064 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.269 12.590 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.773 13.487 -4.060 1.00 0.00 H new ATOM 171 N THR A 12 -19.647 14.775 -7.024 1.00 0.00 N ATOM 172 CA THR A 12 -20.512 15.780 -7.691 1.00 0.00 C ATOM 173 C THR A 12 -20.145 17.211 -7.238 1.00 0.00 C ATOM 174 O THR A 12 -20.384 18.185 -7.963 1.00 0.00 O ATOM 175 CB THR A 12 -22.023 15.517 -7.374 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.163 15.203 -5.979 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.613 14.382 -8.218 1.00 0.00 C ATOM 0 H THR A 12 -20.159 14.142 -6.410 1.00 0.00 H new ATOM 0 HA THR A 12 -20.348 15.688 -8.765 1.00 0.00 H new ATOM 0 HB THR A 12 -22.575 16.423 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.000 16.008 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.662 14.242 -7.958 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.532 14.635 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.065 13.460 -8.022 1.00 0.00 H new ATOM 185 N GLU A 13 -19.557 17.306 -6.027 1.00 0.00 N ATOM 186 CA GLU A 13 -19.054 18.568 -5.451 1.00 0.00 C ATOM 187 C GLU A 13 -17.893 19.126 -6.309 1.00 0.00 C ATOM 188 O GLU A 13 -17.600 20.328 -6.283 1.00 0.00 O ATOM 189 CB GLU A 13 -18.559 18.333 -3.987 1.00 0.00 C ATOM 190 CG GLU A 13 -19.462 17.426 -3.116 1.00 0.00 C ATOM 191 CD GLU A 13 -20.907 17.929 -2.995 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.135 18.900 -2.243 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.820 17.363 -3.652 1.00 0.00 O ATOM 0 H GLU A 13 -19.417 16.501 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.869 19.292 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.562 17.894 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.463 19.301 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.470 16.422 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.029 17.347 -2.119 1.00 0.00 H new ATOM 200 N GLY A 14 -17.228 18.209 -7.050 1.00 0.00 N ATOM 201 CA GLY A 14 -16.103 18.545 -7.917 1.00 0.00 C ATOM 202 C GLY A 14 -14.780 18.125 -7.312 1.00 0.00 C ATOM 203 O GLY A 14 -13.834 17.822 -8.047 1.00 0.00 O ATOM 0 H GLY A 14 -17.466 17.217 -7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.231 18.058 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.094 19.619 -8.100 1.00 0.00 H new ATOM 207 N ARG A 15 -14.726 18.112 -5.955 1.00 0.00 N ATOM 208 CA ARG A 15 -13.527 17.734 -5.184 1.00 0.00 C ATOM 209 C ARG A 15 -13.149 16.265 -5.466 1.00 0.00 C ATOM 210 O ARG A 15 -14.021 15.390 -5.547 1.00 0.00 O ATOM 211 CB ARG A 15 -13.762 17.951 -3.659 1.00 0.00 C ATOM 212 CG ARG A 15 -14.882 17.072 -3.050 1.00 0.00 C ATOM 213 CD ARG A 15 -15.094 17.296 -1.552 1.00 0.00 C ATOM 214 NE ARG A 15 -15.582 18.661 -1.259 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.057 19.501 -0.351 1.00 0.00 C ATOM 216 NH1 ARG A 15 -13.979 19.162 0.344 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.619 20.677 -0.139 1.00 0.00 N ATOM 0 H ARG A 15 -15.521 18.366 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.702 18.373 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.831 17.750 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.007 18.999 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.816 17.274 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.641 16.023 -3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.810 16.566 -1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.156 17.125 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.386 18.993 -1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.539 18.255 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.590 19.809 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.451 20.947 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.221 21.315 0.550 1.00 0.00 H new ATOM 231 N THR A 16 -11.854 16.011 -5.656 1.00 0.00 N ATOM 232 CA THR A 16 -11.332 14.661 -5.903 1.00 0.00 C ATOM 233 C THR A 16 -10.661 14.129 -4.626 1.00 0.00 C ATOM 234 O THR A 16 -9.648 14.668 -4.162 1.00 0.00 O ATOM 235 CB THR A 16 -10.343 14.657 -7.110 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.971 15.297 -8.233 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.935 13.229 -7.518 1.00 0.00 C ATOM 0 H THR A 16 -11.135 16.734 -5.644 1.00 0.00 H new ATOM 0 HA THR A 16 -12.159 14.000 -6.164 1.00 0.00 H new ATOM 0 HB THR A 16 -9.443 15.192 -6.805 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.355 15.300 -8.995 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.246 13.274 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.447 12.736 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.823 12.665 -7.804 1.00 0.00 H new ATOM 245 N LEU A 17 -11.272 13.086 -4.061 1.00 0.00 N ATOM 246 CA LEU A 17 -10.803 12.398 -2.853 1.00 0.00 C ATOM 247 C LEU A 17 -9.750 11.372 -3.271 1.00 0.00 C ATOM 248 O LEU A 17 -9.710 10.986 -4.438 1.00 0.00 O ATOM 249 CB LEU A 17 -12.013 11.700 -2.175 1.00 0.00 C ATOM 250 CG LEU A 17 -13.257 12.617 -1.919 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.498 11.790 -1.527 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.947 13.711 -0.859 1.00 0.00 C ATOM 0 H LEU A 17 -12.130 12.685 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.362 13.098 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.323 10.861 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.685 11.286 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.486 13.124 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.342 12.459 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.741 11.096 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.289 11.230 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.831 14.330 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.668 13.237 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.124 14.334 -1.209 1.00 0.00 H new ATOM 264 N THR A 18 -8.906 10.929 -2.343 1.00 0.00 N ATOM 265 CA THR A 18 -7.856 9.936 -2.636 1.00 0.00 C ATOM 266 C THR A 18 -7.780 8.915 -1.482 1.00 0.00 C ATOM 267 O THR A 18 -7.427 9.283 -0.350 1.00 0.00 O ATOM 268 CB THR A 18 -6.463 10.638 -2.842 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.585 11.690 -3.821 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.368 9.651 -3.304 1.00 0.00 C ATOM 0 H THR A 18 -8.923 11.240 -1.372 1.00 0.00 H new ATOM 0 HA THR A 18 -8.108 9.417 -3.561 1.00 0.00 H new ATOM 0 HB THR A 18 -6.165 11.044 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.715 12.125 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.427 10.186 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.243 8.869 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.661 9.201 -4.252 1.00 0.00 H new ATOM 278 N VAL A 19 -8.151 7.644 -1.761 1.00 0.00 N ATOM 279 CA VAL A 19 -8.165 6.558 -0.751 1.00 0.00 C ATOM 280 C VAL A 19 -7.429 5.311 -1.278 1.00 0.00 C ATOM 281 O VAL A 19 -7.452 5.032 -2.480 1.00 0.00 O ATOM 282 CB VAL A 19 -9.639 6.165 -0.313 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.400 7.379 0.286 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.449 5.528 -1.480 1.00 0.00 C ATOM 0 H VAL A 19 -8.448 7.342 -2.689 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.645 6.940 0.128 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.540 5.410 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.405 7.072 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.867 7.746 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.463 8.173 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.451 5.276 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.519 6.238 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.945 4.624 -1.822 1.00 0.00 H new ATOM 294 N ASP A 20 -6.760 4.573 -0.374 1.00 0.00 N ATOM 295 CA ASP A 20 -6.134 3.273 -0.706 1.00 0.00 C ATOM 296 C ASP A 20 -7.088 2.130 -0.314 1.00 0.00 C ATOM 297 O ASP A 20 -7.600 2.087 0.812 1.00 0.00 O ATOM 298 CB ASP A 20 -4.751 3.111 -0.022 1.00 0.00 C ATOM 299 CG ASP A 20 -4.821 3.097 1.513 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.027 4.170 2.114 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.691 2.013 2.122 1.00 0.00 O ATOM 0 H ASP A 20 -6.637 4.854 0.599 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.958 3.237 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.292 2.184 -0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.100 3.925 -0.340 1.00 0.00 H new ATOM 306 N VAL A 21 -7.344 1.230 -1.269 1.00 0.00 N ATOM 307 CA VAL A 21 -8.306 0.114 -1.146 1.00 0.00 C ATOM 308 C VAL A 21 -7.786 -1.098 -1.941 1.00 0.00 C ATOM 309 O VAL A 21 -7.105 -0.925 -2.945 1.00 0.00 O ATOM 310 CB VAL A 21 -9.724 0.526 -1.710 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.455 1.534 -0.784 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.580 1.107 -3.146 1.00 0.00 C ATOM 0 H VAL A 21 -6.878 1.253 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.407 -0.138 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.337 -0.375 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.424 1.786 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.600 1.086 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.855 2.439 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.563 1.388 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.936 1.986 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.140 0.355 -3.800 1.00 0.00 H new ATOM 322 N LYS A 22 -8.118 -2.315 -1.496 1.00 0.00 N ATOM 323 CA LYS A 22 -7.748 -3.550 -2.217 1.00 0.00 C ATOM 324 C LYS A 22 -8.605 -3.710 -3.491 1.00 0.00 C ATOM 325 O LYS A 22 -9.774 -3.341 -3.476 1.00 0.00 O ATOM 326 CB LYS A 22 -7.956 -4.781 -1.305 1.00 0.00 C ATOM 327 CG LYS A 22 -7.141 -4.756 0.003 1.00 0.00 C ATOM 328 CD LYS A 22 -7.498 -5.920 0.953 1.00 0.00 C ATOM 329 CE LYS A 22 -7.242 -7.295 0.323 1.00 0.00 C ATOM 330 NZ LYS A 22 -7.507 -8.403 1.266 1.00 0.00 N ATOM 0 H LYS A 22 -8.644 -2.477 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.698 -3.479 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.015 -4.858 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.694 -5.679 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.078 -4.801 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.313 -3.809 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.913 -5.829 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.548 -5.844 1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.873 -7.412 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.208 -7.350 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.320 -9.311 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.887 -8.309 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.501 -8.369 1.571 1.00 0.00 H new ATOM 344 N PRO A 23 -8.046 -4.290 -4.604 1.00 0.00 N ATOM 345 CA PRO A 23 -8.852 -4.655 -5.808 1.00 0.00 C ATOM 346 C PRO A 23 -9.846 -5.808 -5.496 1.00 0.00 C ATOM 347 O PRO A 23 -10.828 -6.025 -6.213 1.00 0.00 O ATOM 348 CB PRO A 23 -7.777 -5.071 -6.847 1.00 0.00 C ATOM 349 CG PRO A 23 -6.601 -5.513 -6.018 1.00 0.00 C ATOM 350 CD PRO A 23 -6.605 -4.630 -4.786 1.00 0.00 C ATOM 0 HA PRO A 23 -9.482 -3.841 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.136 -5.876 -7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.512 -4.239 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.689 -6.565 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.669 -5.405 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.203 -5.152 -3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.997 -3.737 -4.931 1.00 0.00 H new ATOM 358 N ASP A 24 -9.554 -6.509 -4.383 1.00 0.00 N ATOM 359 CA ASP A 24 -10.376 -7.587 -3.803 1.00 0.00 C ATOM 360 C ASP A 24 -11.704 -7.047 -3.213 1.00 0.00 C ATOM 361 O ASP A 24 -12.668 -7.806 -3.029 1.00 0.00 O ATOM 362 CB ASP A 24 -9.518 -8.281 -2.705 1.00 0.00 C ATOM 363 CG ASP A 24 -10.197 -9.479 -2.012 1.00 0.00 C ATOM 364 OD1 ASP A 24 -10.787 -9.301 -0.924 1.00 0.00 O ATOM 365 OD2 ASP A 24 -10.138 -10.604 -2.552 1.00 0.00 O ATOM 0 H ASP A 24 -8.707 -6.332 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.659 -8.298 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.585 -8.621 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.257 -7.542 -1.948 1.00 0.00 H new ATOM 370 N ARG A 25 -11.742 -5.725 -2.934 1.00 0.00 N ATOM 371 CA ARG A 25 -12.912 -5.050 -2.332 1.00 0.00 C ATOM 372 C ARG A 25 -14.059 -4.930 -3.355 1.00 0.00 C ATOM 373 O ARG A 25 -13.844 -5.087 -4.558 1.00 0.00 O ATOM 374 CB ARG A 25 -12.526 -3.630 -1.813 1.00 0.00 C ATOM 375 CG ARG A 25 -11.528 -3.595 -0.630 1.00 0.00 C ATOM 376 CD ARG A 25 -12.017 -4.408 0.578 1.00 0.00 C ATOM 377 NE ARG A 25 -11.186 -4.214 1.776 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.567 -4.531 3.028 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.738 -5.124 3.258 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.765 -4.273 4.046 1.00 0.00 N ATOM 0 H ARG A 25 -10.961 -5.096 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.248 -5.656 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.099 -3.064 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.437 -3.114 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.565 -3.985 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.366 -2.561 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.045 -4.127 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.027 -5.466 0.317 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.257 -3.812 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.360 -5.344 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.013 -5.358 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.859 -3.834 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.052 -4.513 4.995 1.00 0.00 H new ATOM 394 N THR A 26 -15.271 -4.645 -2.857 1.00 0.00 N ATOM 395 CA THR A 26 -16.451 -4.336 -3.693 1.00 0.00 C ATOM 396 C THR A 26 -16.615 -2.814 -3.798 1.00 0.00 C ATOM 397 O THR A 26 -16.015 -2.071 -3.013 1.00 0.00 O ATOM 398 CB THR A 26 -17.751 -4.983 -3.109 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.970 -4.530 -1.763 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.681 -6.522 -3.123 1.00 0.00 C ATOM 0 H THR A 26 -15.466 -4.621 -1.856 1.00 0.00 H new ATOM 0 HA THR A 26 -16.292 -4.758 -4.685 1.00 0.00 H new ATOM 0 HB THR A 26 -18.581 -4.673 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.855 -4.822 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.602 -6.932 -2.710 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.556 -6.871 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.835 -6.853 -2.521 1.00 0.00 H new ATOM 408 N ILE A 27 -17.406 -2.343 -4.785 1.00 0.00 N ATOM 409 CA ILE A 27 -17.629 -0.896 -4.999 1.00 0.00 C ATOM 410 C ILE A 27 -18.376 -0.296 -3.781 1.00 0.00 C ATOM 411 O ILE A 27 -18.207 0.882 -3.479 1.00 0.00 O ATOM 412 CB ILE A 27 -18.390 -0.622 -6.355 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.601 -1.191 -7.575 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.705 0.879 -6.576 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.244 -0.543 -7.863 1.00 0.00 C ATOM 0 H ILE A 27 -17.901 -2.942 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.662 -0.400 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.343 -1.145 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.444 -2.258 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.224 -1.090 -8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.228 1.005 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.334 1.242 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.775 1.447 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.790 -1.020 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.383 0.519 -8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.591 -0.666 -6.999 1.00 0.00 H new ATOM 427 N GLU A 28 -19.144 -1.157 -3.059 1.00 0.00 N ATOM 428 CA GLU A 28 -19.793 -0.823 -1.766 1.00 0.00 C ATOM 429 C GLU A 28 -18.793 -0.187 -0.782 1.00 0.00 C ATOM 430 O GLU A 28 -19.111 0.814 -0.136 1.00 0.00 O ATOM 431 CB GLU A 28 -20.398 -2.101 -1.130 1.00 0.00 C ATOM 432 CG GLU A 28 -21.580 -2.709 -1.907 1.00 0.00 C ATOM 433 CD GLU A 28 -21.925 -4.147 -1.491 1.00 0.00 C ATOM 434 OE1 GLU A 28 -22.945 -4.359 -0.801 1.00 0.00 O ATOM 435 OE2 GLU A 28 -21.168 -5.074 -1.864 1.00 0.00 O ATOM 0 H GLU A 28 -19.330 -2.112 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.583 -0.100 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.614 -2.853 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.729 -1.865 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.458 -2.079 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.348 -2.695 -2.972 1.00 0.00 H new ATOM 442 N GLU A 29 -17.582 -0.787 -0.709 1.00 0.00 N ATOM 443 CA GLU A 29 -16.458 -0.282 0.098 1.00 0.00 C ATOM 444 C GLU A 29 -16.135 1.162 -0.268 1.00 0.00 C ATOM 445 O GLU A 29 -16.022 2.003 0.615 1.00 0.00 O ATOM 446 CB GLU A 29 -15.208 -1.174 -0.107 1.00 0.00 C ATOM 447 CG GLU A 29 -15.332 -2.594 0.475 1.00 0.00 C ATOM 448 CD GLU A 29 -15.253 -2.621 2.011 1.00 0.00 C ATOM 449 OE1 GLU A 29 -16.205 -3.094 2.673 1.00 0.00 O ATOM 450 OE2 GLU A 29 -14.230 -2.154 2.563 1.00 0.00 O ATOM 0 H GLU A 29 -17.361 -1.644 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.750 -0.315 1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.003 -1.250 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.348 -0.683 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.279 -3.030 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.540 -3.220 0.065 1.00 0.00 H new ATOM 457 N LEU A 30 -16.028 1.430 -1.579 1.00 0.00 N ATOM 458 CA LEU A 30 -15.679 2.764 -2.105 1.00 0.00 C ATOM 459 C LEU A 30 -16.745 3.795 -1.741 1.00 0.00 C ATOM 460 O LEU A 30 -16.418 4.920 -1.383 1.00 0.00 O ATOM 461 CB LEU A 30 -15.505 2.713 -3.642 1.00 0.00 C ATOM 462 CG LEU A 30 -14.522 1.629 -4.170 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.366 1.698 -5.702 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.158 1.725 -3.461 1.00 0.00 C ATOM 0 H LEU A 30 -16.180 0.730 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.736 3.064 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.482 2.544 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.160 3.689 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.952 0.655 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.672 0.925 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.336 1.540 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.980 2.677 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.491 0.956 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.723 2.708 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.294 1.580 -2.389 1.00 0.00 H new ATOM 476 N MET A 31 -18.015 3.368 -1.839 1.00 0.00 N ATOM 477 CA MET A 31 -19.190 4.187 -1.510 1.00 0.00 C ATOM 478 C MET A 31 -19.186 4.589 -0.015 1.00 0.00 C ATOM 479 O MET A 31 -19.574 5.707 0.335 1.00 0.00 O ATOM 480 CB MET A 31 -20.488 3.431 -1.917 1.00 0.00 C ATOM 481 CG MET A 31 -20.520 2.966 -3.389 1.00 0.00 C ATOM 482 SD MET A 31 -22.171 2.545 -3.982 1.00 0.00 S ATOM 483 CE MET A 31 -22.844 4.169 -4.313 1.00 0.00 C ATOM 0 H MET A 31 -18.256 2.428 -2.154 1.00 0.00 H new ATOM 0 HA MET A 31 -19.152 5.116 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.605 2.561 -1.271 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.344 4.080 -1.735 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.108 3.754 -4.019 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.871 2.097 -3.500 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.924 4.152 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.396 4.894 -3.634 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.623 4.451 -5.342 1.00 0.00 H new ATOM 493 N GLU A 32 -18.688 3.674 0.839 1.00 0.00 N ATOM 494 CA GLU A 32 -18.498 3.928 2.283 1.00 0.00 C ATOM 495 C GLU A 32 -17.355 4.928 2.525 1.00 0.00 C ATOM 496 O GLU A 32 -17.456 5.798 3.395 1.00 0.00 O ATOM 497 CB GLU A 32 -18.176 2.612 3.019 1.00 0.00 C ATOM 498 CG GLU A 32 -19.298 1.559 2.987 1.00 0.00 C ATOM 499 CD GLU A 32 -18.892 0.236 3.658 1.00 0.00 C ATOM 500 OE1 GLU A 32 -18.209 -0.579 3.012 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.238 0.012 4.836 1.00 0.00 O ATOM 0 H GLU A 32 -18.406 2.738 0.549 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.426 4.351 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.278 2.178 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.943 2.842 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.180 1.959 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.579 1.365 1.952 1.00 0.00 H new ATOM 508 N LYS A 33 -16.265 4.773 1.750 1.00 0.00 N ATOM 509 CA LYS A 33 -15.056 5.594 1.906 1.00 0.00 C ATOM 510 C LYS A 33 -15.334 7.054 1.512 1.00 0.00 C ATOM 511 O LYS A 33 -15.075 7.955 2.298 1.00 0.00 O ATOM 512 CB LYS A 33 -13.852 5.015 1.109 1.00 0.00 C ATOM 513 CG LYS A 33 -13.488 3.539 1.431 1.00 0.00 C ATOM 514 CD LYS A 33 -13.464 3.233 2.949 1.00 0.00 C ATOM 515 CE LYS A 33 -13.187 1.751 3.259 1.00 0.00 C ATOM 516 NZ LYS A 33 -14.320 0.865 2.877 1.00 0.00 N ATOM 0 H LYS A 33 -16.200 4.080 1.004 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.779 5.571 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.071 5.093 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.978 5.637 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.208 2.880 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.510 3.312 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.700 3.847 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.421 3.517 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.289 1.435 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.985 1.638 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.956 -0.079 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.983 0.786 3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.814 1.268 2.055 1.00 0.00 H new ATOM 530 N LEU A 34 -15.913 7.273 0.310 1.00 0.00 N ATOM 531 CA LEU A 34 -16.274 8.631 -0.160 1.00 0.00 C ATOM 532 C LEU A 34 -17.299 9.283 0.794 1.00 0.00 C ATOM 533 O LEU A 34 -17.258 10.493 1.015 1.00 0.00 O ATOM 534 CB LEU A 34 -16.764 8.593 -1.649 1.00 0.00 C ATOM 535 CG LEU A 34 -17.992 7.670 -1.986 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.358 8.374 -1.790 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.884 7.068 -3.407 1.00 0.00 C ATOM 0 H LEU A 34 -16.140 6.530 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.385 9.261 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.017 9.611 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.926 8.278 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.953 6.855 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.163 7.683 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.459 8.689 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.414 9.246 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.751 6.437 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.849 7.873 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.976 6.470 -3.481 1.00 0.00 H new ATOM 549 N LYS A 35 -18.176 8.450 1.391 1.00 0.00 N ATOM 550 CA LYS A 35 -19.140 8.890 2.419 1.00 0.00 C ATOM 551 C LYS A 35 -18.421 9.457 3.666 1.00 0.00 C ATOM 552 O LYS A 35 -18.789 10.523 4.149 1.00 0.00 O ATOM 553 CB LYS A 35 -20.093 7.714 2.786 1.00 0.00 C ATOM 554 CG LYS A 35 -20.954 7.897 4.063 1.00 0.00 C ATOM 555 CD LYS A 35 -21.864 9.150 4.032 1.00 0.00 C ATOM 556 CE LYS A 35 -22.557 9.402 5.378 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.345 10.664 5.382 1.00 0.00 N ATOM 0 H LYS A 35 -18.235 7.455 1.174 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.739 9.703 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.763 7.542 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.493 6.812 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.575 7.012 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.294 7.961 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.268 10.022 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.619 9.029 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.216 8.564 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.807 9.442 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.450 11.004 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.851 11.383 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.285 10.488 4.974 1.00 0.00 H new ATOM 571 N GLU A 36 -17.397 8.761 4.178 1.00 0.00 N ATOM 572 CA GLU A 36 -16.672 9.226 5.387 1.00 0.00 C ATOM 573 C GLU A 36 -15.632 10.324 5.053 1.00 0.00 C ATOM 574 O GLU A 36 -15.150 11.015 5.960 1.00 0.00 O ATOM 575 CB GLU A 36 -16.032 8.025 6.135 1.00 0.00 C ATOM 576 CG GLU A 36 -14.989 7.222 5.334 1.00 0.00 C ATOM 577 CD GLU A 36 -14.590 5.903 6.016 1.00 0.00 C ATOM 578 OE1 GLU A 36 -15.171 4.848 5.687 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.706 5.920 6.900 1.00 0.00 O ATOM 0 H GLU A 36 -17.049 7.885 3.787 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.398 9.687 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.559 8.396 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.827 7.347 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.389 7.005 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.099 7.834 5.192 1.00 0.00 H new ATOM 586 N GLN A 37 -15.308 10.494 3.748 1.00 0.00 N ATOM 587 CA GLN A 37 -14.348 11.520 3.277 1.00 0.00 C ATOM 588 C GLN A 37 -15.026 12.899 3.123 1.00 0.00 C ATOM 589 O GLN A 37 -14.593 13.873 3.743 1.00 0.00 O ATOM 590 CB GLN A 37 -13.694 11.091 1.933 1.00 0.00 C ATOM 591 CG GLN A 37 -12.725 9.888 2.011 1.00 0.00 C ATOM 592 CD GLN A 37 -11.436 10.186 2.780 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.344 9.967 3.987 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.439 10.707 2.085 1.00 0.00 N ATOM 0 H GLN A 37 -15.702 9.927 2.997 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.568 11.608 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.487 10.850 1.225 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.152 11.944 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.236 9.051 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.470 9.572 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.548 10.876 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.561 10.940 2.549 1.00 0.00 H new ATOM 603 N THR A 38 -16.083 12.976 2.287 1.00 0.00 N ATOM 604 CA THR A 38 -16.770 14.260 1.968 1.00 0.00 C ATOM 605 C THR A 38 -18.102 14.410 2.739 1.00 0.00 C ATOM 606 O THR A 38 -18.623 15.525 2.865 1.00 0.00 O ATOM 607 CB THR A 38 -17.004 14.430 0.421 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.647 15.687 0.129 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.840 13.293 -0.161 1.00 0.00 C ATOM 0 H THR A 38 -16.485 12.165 1.816 1.00 0.00 H new ATOM 0 HA THR A 38 -16.103 15.057 2.296 1.00 0.00 H new ATOM 0 HB THR A 38 -16.019 14.408 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.142 15.992 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.976 13.452 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.328 12.345 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.813 13.269 0.329 1.00 0.00 H new ATOM 617 N GLY A 39 -18.653 13.293 3.253 1.00 0.00 N ATOM 618 CA GLY A 39 -19.882 13.328 4.076 1.00 0.00 C ATOM 619 C GLY A 39 -21.169 13.056 3.302 1.00 0.00 C ATOM 620 O GLY A 39 -22.251 12.977 3.908 1.00 0.00 O ATOM 0 H GLY A 39 -18.270 12.358 3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.791 12.592 4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.958 14.306 4.551 1.00 0.00 H new ATOM 624 N VAL A 40 -21.057 12.887 1.970 1.00 0.00 N ATOM 625 CA VAL A 40 -22.224 12.748 1.080 1.00 0.00 C ATOM 626 C VAL A 40 -22.760 11.284 1.104 1.00 0.00 C ATOM 627 O VAL A 40 -21.962 10.343 1.029 1.00 0.00 O ATOM 628 CB VAL A 40 -21.876 13.241 -0.395 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.073 12.201 -1.218 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.144 13.704 -1.148 1.00 0.00 C ATOM 0 H VAL A 40 -20.161 12.843 1.484 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.024 13.391 1.448 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.217 14.102 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.870 12.601 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.131 11.987 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.653 11.282 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.872 14.034 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.849 12.875 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.607 14.530 -0.608 1.00 0.00 H new ATOM 640 N PRO A 41 -24.116 11.067 1.278 1.00 0.00 N ATOM 641 CA PRO A 41 -24.718 9.709 1.324 1.00 0.00 C ATOM 642 C PRO A 41 -24.581 8.963 -0.030 1.00 0.00 C ATOM 643 O PRO A 41 -24.970 9.503 -1.067 1.00 0.00 O ATOM 644 CB PRO A 41 -26.211 9.971 1.685 1.00 0.00 C ATOM 645 CG PRO A 41 -26.462 11.379 1.241 1.00 0.00 C ATOM 646 CD PRO A 41 -25.156 12.117 1.464 1.00 0.00 C ATOM 0 HA PRO A 41 -24.218 9.063 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.872 9.270 1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.387 9.855 2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.757 11.412 0.192 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.271 11.832 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.032 12.933 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.109 12.554 2.462 1.00 0.00 H new ATOM 654 N PRO A 42 -24.028 7.705 -0.034 1.00 0.00 N ATOM 655 CA PRO A 42 -23.772 6.934 -1.278 1.00 0.00 C ATOM 656 C PRO A 42 -25.065 6.492 -2.002 1.00 0.00 C ATOM 657 O PRO A 42 -25.048 6.232 -3.205 1.00 0.00 O ATOM 658 CB PRO A 42 -22.957 5.718 -0.781 1.00 0.00 C ATOM 659 CG PRO A 42 -23.364 5.541 0.649 1.00 0.00 C ATOM 660 CD PRO A 42 -23.601 6.940 1.173 1.00 0.00 C ATOM 0 HA PRO A 42 -23.251 7.533 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.179 4.827 -1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.886 5.898 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.265 4.933 0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.586 5.034 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.369 6.953 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.697 7.360 1.614 1.00 0.00 H new ATOM 668 N GLU A 43 -26.179 6.430 -1.252 1.00 0.00 N ATOM 669 CA GLU A 43 -27.524 6.121 -1.798 1.00 0.00 C ATOM 670 C GLU A 43 -27.989 7.206 -2.803 1.00 0.00 C ATOM 671 O GLU A 43 -28.809 6.944 -3.690 1.00 0.00 O ATOM 672 CB GLU A 43 -28.537 5.999 -0.627 1.00 0.00 C ATOM 673 CG GLU A 43 -28.615 7.254 0.273 1.00 0.00 C ATOM 674 CD GLU A 43 -29.538 7.077 1.485 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.133 6.405 2.456 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.674 7.595 1.478 1.00 0.00 O ATOM 0 H GLU A 43 -26.178 6.593 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.472 5.175 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.527 5.796 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.264 5.141 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.613 7.505 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.966 8.097 -0.322 1.00 0.00 H new ATOM 683 N GLN A 44 -27.431 8.416 -2.637 1.00 0.00 N ATOM 684 CA GLN A 44 -27.749 9.598 -3.456 1.00 0.00 C ATOM 685 C GLN A 44 -26.807 9.692 -4.689 1.00 0.00 C ATOM 686 O GLN A 44 -27.027 10.514 -5.584 1.00 0.00 O ATOM 687 CB GLN A 44 -27.613 10.863 -2.553 1.00 0.00 C ATOM 688 CG GLN A 44 -28.049 12.203 -3.187 1.00 0.00 C ATOM 689 CD GLN A 44 -27.724 13.429 -2.325 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.476 14.401 -2.305 1.00 0.00 O ATOM 691 NE2 GLN A 44 -26.577 13.419 -1.653 1.00 0.00 N ATOM 0 H GLN A 44 -26.734 8.604 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.767 9.521 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.201 10.704 -1.649 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.572 10.953 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.561 12.312 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.123 12.175 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.973 12.598 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.301 14.232 -1.102 1.00 0.00 H new ATOM 700 N LEU A 45 -25.752 8.838 -4.731 1.00 0.00 N ATOM 701 CA LEU A 45 -24.709 8.875 -5.796 1.00 0.00 C ATOM 702 C LEU A 45 -24.549 7.511 -6.498 1.00 0.00 C ATOM 703 O LEU A 45 -25.088 6.492 -6.061 1.00 0.00 O ATOM 704 CB LEU A 45 -23.321 9.327 -5.233 1.00 0.00 C ATOM 705 CG LEU A 45 -23.156 10.838 -4.841 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.611 11.771 -5.983 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.869 11.178 -3.522 1.00 0.00 C ATOM 0 H LEU A 45 -25.598 8.109 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.053 9.607 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.103 8.725 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.562 9.088 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.091 11.007 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.483 12.809 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.010 11.578 -6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.661 11.586 -6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.726 12.234 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.934 10.969 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.453 10.573 -2.717 1.00 0.00 H new ATOM 719 N ARG A 46 -23.796 7.539 -7.613 1.00 0.00 N ATOM 720 CA ARG A 46 -23.346 6.355 -8.364 1.00 0.00 C ATOM 721 C ARG A 46 -21.861 6.546 -8.689 1.00 0.00 C ATOM 722 O ARG A 46 -21.483 7.595 -9.217 1.00 0.00 O ATOM 723 CB ARG A 46 -24.134 6.169 -9.696 1.00 0.00 C ATOM 724 CG ARG A 46 -25.631 5.860 -9.530 1.00 0.00 C ATOM 725 CD ARG A 46 -26.347 5.672 -10.875 1.00 0.00 C ATOM 726 NE ARG A 46 -27.711 5.145 -10.715 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.571 4.909 -11.727 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.213 5.099 -12.986 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.773 4.425 -11.468 1.00 0.00 N ATOM 0 H ARG A 46 -23.475 8.414 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.519 5.468 -7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -24.030 7.076 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.673 5.361 -10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.748 4.957 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -26.107 6.671 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -26.389 6.627 -11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.768 4.991 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 46 -28.030 4.943 -9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.273 5.429 -13.205 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.877 4.915 -13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -30.048 4.231 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.426 4.245 -12.231 1.00 0.00 H new ATOM 743 N VAL A 47 -21.034 5.539 -8.380 1.00 0.00 N ATOM 744 CA VAL A 47 -19.601 5.559 -8.721 1.00 0.00 C ATOM 745 C VAL A 47 -19.443 5.266 -10.223 1.00 0.00 C ATOM 746 O VAL A 47 -20.015 4.298 -10.723 1.00 0.00 O ATOM 747 CB VAL A 47 -18.798 4.514 -7.868 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.295 4.544 -8.213 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.027 4.741 -6.354 1.00 0.00 C ATOM 0 H VAL A 47 -21.333 4.695 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.195 6.544 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.174 3.522 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.767 3.809 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.159 4.307 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.895 5.537 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.460 4.004 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.695 5.743 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.088 4.636 -6.127 1.00 0.00 H new ATOM 759 N ILE A 48 -18.701 6.134 -10.941 1.00 0.00 N ATOM 760 CA ILE A 48 -18.544 6.067 -12.411 1.00 0.00 C ATOM 761 C ILE A 48 -17.040 6.098 -12.775 1.00 0.00 C ATOM 762 O ILE A 48 -16.343 7.049 -12.444 1.00 0.00 O ATOM 763 CB ILE A 48 -19.278 7.278 -13.136 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.757 7.451 -12.645 1.00 0.00 C ATOM 765 CG2 ILE A 48 -19.227 7.122 -14.676 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.708 6.317 -12.980 1.00 0.00 C ATOM 0 H ILE A 48 -18.190 6.907 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.999 5.137 -12.751 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.737 8.184 -12.864 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.746 7.582 -11.563 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -21.155 8.371 -13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.737 7.964 -15.144 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -18.188 7.098 -15.005 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.720 6.194 -14.964 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.700 6.547 -12.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.762 6.195 -14.062 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.346 5.393 -12.528 1.00 0.00 H new ATOM 778 N TYR A 49 -16.545 5.048 -13.437 1.00 0.00 N ATOM 779 CA TYR A 49 -15.151 4.983 -13.927 1.00 0.00 C ATOM 780 C TYR A 49 -15.122 5.396 -15.405 1.00 0.00 C ATOM 781 O TYR A 49 -15.458 4.588 -16.279 1.00 0.00 O ATOM 782 CB TYR A 49 -14.604 3.543 -13.725 1.00 0.00 C ATOM 783 CG TYR A 49 -13.155 3.257 -14.180 1.00 0.00 C ATOM 784 CD1 TYR A 49 -12.113 3.227 -13.258 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.841 2.945 -15.512 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.830 2.907 -13.632 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.548 2.638 -15.894 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.548 2.609 -14.946 1.00 0.00 C ATOM 789 OH TYR A 49 -9.258 2.278 -15.309 1.00 0.00 O ATOM 0 H TYR A 49 -17.094 4.215 -13.652 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.514 5.668 -13.368 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.677 3.302 -12.665 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.264 2.856 -14.254 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.318 3.461 -12.224 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.626 2.945 -16.254 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.042 2.889 -12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.323 2.422 -16.928 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.933 1.553 -14.736 1.00 0.00 H new ATOM 799 N ASN A 50 -14.760 6.671 -15.657 1.00 0.00 N ATOM 800 CA ASN A 50 -14.475 7.202 -17.011 1.00 0.00 C ATOM 801 C ASN A 50 -15.661 7.020 -17.992 1.00 0.00 C ATOM 802 O ASN A 50 -15.461 6.800 -19.190 1.00 0.00 O ATOM 803 CB ASN A 50 -13.161 6.572 -17.564 1.00 0.00 C ATOM 804 CG ASN A 50 -11.929 7.015 -16.773 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.280 8.005 -17.118 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.603 6.294 -15.704 1.00 0.00 N ATOM 0 H ASN A 50 -14.656 7.369 -14.921 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.335 8.279 -16.920 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.240 5.485 -17.532 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.039 6.852 -18.610 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.794 6.554 -15.141 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.162 5.481 -15.447 1.00 0.00 H new ATOM 813 N GLY A 51 -16.895 7.148 -17.467 1.00 0.00 N ATOM 814 CA GLY A 51 -18.119 7.024 -18.279 1.00 0.00 C ATOM 815 C GLY A 51 -18.792 5.654 -18.180 1.00 0.00 C ATOM 816 O GLY A 51 -19.808 5.417 -18.838 1.00 0.00 O ATOM 0 H GLY A 51 -17.070 7.338 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.829 7.790 -17.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.873 7.223 -19.322 1.00 0.00 H new ATOM 820 N ARG A 52 -18.217 4.750 -17.370 1.00 0.00 N ATOM 821 CA ARG A 52 -18.787 3.411 -17.091 1.00 0.00 C ATOM 822 C ARG A 52 -19.411 3.407 -15.692 1.00 0.00 C ATOM 823 O ARG A 52 -18.761 3.820 -14.732 1.00 0.00 O ATOM 824 CB ARG A 52 -17.680 2.328 -17.187 1.00 0.00 C ATOM 825 CG ARG A 52 -18.111 0.910 -16.736 1.00 0.00 C ATOM 826 CD ARG A 52 -17.025 -0.141 -17.002 1.00 0.00 C ATOM 827 NE ARG A 52 -17.459 -1.495 -16.624 1.00 0.00 N ATOM 828 CZ ARG A 52 -16.706 -2.606 -16.729 1.00 0.00 C ATOM 829 NH1 ARG A 52 -15.450 -2.542 -17.137 1.00 0.00 N ATOM 830 NH2 ARG A 52 -17.206 -3.783 -16.385 1.00 0.00 N ATOM 0 H ARG A 52 -17.337 4.924 -16.884 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.556 3.185 -17.829 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.333 2.275 -18.219 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.831 2.643 -16.581 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.346 0.925 -15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.024 0.626 -17.260 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.760 -0.128 -18.059 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.125 0.119 -16.445 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.404 -1.600 -16.254 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.037 -1.641 -17.378 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.894 -3.394 -17.211 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.163 -3.849 -16.040 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.634 -4.623 -16.465 1.00 0.00 H new ATOM 844 N GLU A 53 -20.657 2.925 -15.578 1.00 0.00 N ATOM 845 CA GLU A 53 -21.383 2.894 -14.300 1.00 0.00 C ATOM 846 C GLU A 53 -20.960 1.655 -13.485 1.00 0.00 C ATOM 847 O GLU A 53 -21.049 0.519 -13.970 1.00 0.00 O ATOM 848 CB GLU A 53 -22.911 2.923 -14.560 1.00 0.00 C ATOM 849 CG GLU A 53 -23.771 3.276 -13.324 1.00 0.00 C ATOM 850 CD GLU A 53 -25.249 3.490 -13.679 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.599 4.612 -14.124 1.00 0.00 O ATOM 852 OE2 GLU A 53 -26.059 2.545 -13.545 1.00 0.00 O ATOM 0 H GLU A 53 -21.187 2.548 -16.364 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.132 3.777 -13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.118 3.647 -15.348 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.221 1.947 -14.934 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.689 2.476 -12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.378 4.179 -12.858 1.00 0.00 H new ATOM 859 N LEU A 54 -20.453 1.892 -12.262 1.00 0.00 N ATOM 860 CA LEU A 54 -19.919 0.828 -11.391 1.00 0.00 C ATOM 861 C LEU A 54 -20.992 0.403 -10.394 1.00 0.00 C ATOM 862 O LEU A 54 -21.389 1.200 -9.524 1.00 0.00 O ATOM 863 CB LEU A 54 -18.640 1.287 -10.624 1.00 0.00 C ATOM 864 CG LEU A 54 -17.536 2.045 -11.445 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.206 2.094 -10.672 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.340 1.458 -12.864 1.00 0.00 C ATOM 0 H LEU A 54 -20.402 2.824 -11.850 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.638 -0.013 -12.025 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.953 1.934 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.181 0.405 -10.177 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.891 3.067 -11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.460 2.624 -11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.354 2.614 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.860 1.079 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.566 2.020 -13.386 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.041 0.413 -12.787 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.276 1.527 -13.419 1.00 0.00 H new ATOM 878 N GLU A 55 -21.462 -0.842 -10.534 1.00 0.00 N ATOM 879 CA GLU A 55 -22.459 -1.419 -9.632 1.00 0.00 C ATOM 880 C GLU A 55 -21.815 -1.720 -8.274 1.00 0.00 C ATOM 881 O GLU A 55 -20.753 -2.357 -8.246 1.00 0.00 O ATOM 882 CB GLU A 55 -23.060 -2.706 -10.248 1.00 0.00 C ATOM 883 CG GLU A 55 -23.593 -2.511 -11.683 1.00 0.00 C ATOM 884 CD GLU A 55 -24.677 -1.417 -11.785 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.794 -1.634 -11.275 1.00 0.00 O ATOM 886 OE2 GLU A 55 -24.420 -0.338 -12.373 1.00 0.00 O ATOM 0 H GLU A 55 -21.161 -1.475 -11.275 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.267 -0.702 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.299 -3.486 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.872 -3.059 -9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.763 -2.253 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.003 -3.455 -12.043 1.00 0.00 H new ATOM 893 N PRO A 56 -22.459 -1.288 -7.131 1.00 0.00 N ATOM 894 CA PRO A 56 -21.868 -1.399 -5.772 1.00 0.00 C ATOM 895 C PRO A 56 -21.464 -2.847 -5.410 1.00 0.00 C ATOM 896 O PRO A 56 -20.377 -3.080 -4.866 1.00 0.00 O ATOM 897 CB PRO A 56 -22.975 -0.835 -4.826 1.00 0.00 C ATOM 898 CG PRO A 56 -24.238 -0.870 -5.637 1.00 0.00 C ATOM 899 CD PRO A 56 -23.810 -0.666 -7.079 1.00 0.00 C ATOM 0 HA PRO A 56 -20.933 -0.845 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.069 -1.440 -3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.740 0.180 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.756 -1.821 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.928 -0.088 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.500 -1.145 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.776 0.391 -7.342 1.00 0.00 H new ATOM 907 N ARG A 57 -22.336 -3.801 -5.762 1.00 0.00 N ATOM 908 CA ARG A 57 -22.168 -5.236 -5.438 1.00 0.00 C ATOM 909 C ARG A 57 -20.871 -5.843 -6.028 1.00 0.00 C ATOM 910 O ARG A 57 -20.266 -6.738 -5.429 1.00 0.00 O ATOM 911 CB ARG A 57 -23.408 -6.015 -5.954 1.00 0.00 C ATOM 912 CG ARG A 57 -23.646 -5.921 -7.481 1.00 0.00 C ATOM 913 CD ARG A 57 -24.927 -6.643 -7.939 1.00 0.00 C ATOM 914 NE ARG A 57 -24.909 -8.084 -7.610 1.00 0.00 N ATOM 915 CZ ARG A 57 -25.326 -9.071 -8.416 1.00 0.00 C ATOM 916 NH1 ARG A 57 -25.738 -8.822 -9.647 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.327 -10.314 -7.976 1.00 0.00 N ATOM 0 H ARG A 57 -23.189 -3.603 -6.285 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.081 -5.324 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.299 -7.065 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.294 -5.642 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.705 -4.872 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.789 -6.347 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.792 -6.176 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.045 -6.520 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.549 -8.350 -6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.743 -7.865 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -26.051 -9.587 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.012 -10.520 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.643 -11.070 -8.584 1.00 0.00 H new ATOM 931 N THR A 58 -20.453 -5.327 -7.192 1.00 0.00 N ATOM 932 CA THR A 58 -19.350 -5.890 -7.991 1.00 0.00 C ATOM 933 C THR A 58 -17.980 -5.444 -7.435 1.00 0.00 C ATOM 934 O THR A 58 -17.878 -4.372 -6.835 1.00 0.00 O ATOM 935 CB THR A 58 -19.517 -5.437 -9.470 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.871 -5.662 -9.890 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.565 -6.167 -10.432 1.00 0.00 C ATOM 0 H THR A 58 -20.874 -4.498 -7.612 1.00 0.00 H new ATOM 0 HA THR A 58 -19.385 -6.978 -7.936 1.00 0.00 H new ATOM 0 HB THR A 58 -19.268 -4.377 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.977 -5.375 -10.821 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.729 -5.808 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.533 -5.972 -10.140 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.757 -7.239 -10.390 1.00 0.00 H new ATOM 945 N THR A 59 -16.939 -6.274 -7.637 1.00 0.00 N ATOM 946 CA THR A 59 -15.574 -5.999 -7.148 1.00 0.00 C ATOM 947 C THR A 59 -14.819 -4.991 -8.043 1.00 0.00 C ATOM 948 O THR A 59 -15.195 -4.746 -9.199 1.00 0.00 O ATOM 949 CB THR A 59 -14.759 -7.330 -7.004 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.970 -8.166 -8.157 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.145 -8.098 -5.730 1.00 0.00 C ATOM 0 H THR A 59 -17.021 -7.155 -8.144 1.00 0.00 H new ATOM 0 HA THR A 59 -15.675 -5.539 -6.165 1.00 0.00 H new ATOM 0 HB THR A 59 -13.704 -7.064 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.456 -8.994 -8.059 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.559 -9.015 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.945 -7.477 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.206 -8.347 -5.763 1.00 0.00 H new ATOM 959 N LEU A 60 -13.740 -4.429 -7.463 1.00 0.00 N ATOM 960 CA LEU A 60 -12.893 -3.387 -8.076 1.00 0.00 C ATOM 961 C LEU A 60 -12.107 -3.926 -9.277 1.00 0.00 C ATOM 962 O LEU A 60 -12.000 -3.262 -10.319 1.00 0.00 O ATOM 963 CB LEU A 60 -11.908 -2.812 -7.002 1.00 0.00 C ATOM 964 CG LEU A 60 -12.434 -1.629 -6.130 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.744 -1.968 -5.418 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.371 -1.175 -5.122 1.00 0.00 C ATOM 0 H LEU A 60 -13.425 -4.695 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.545 -2.594 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.620 -3.625 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.003 -2.482 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.643 -0.804 -6.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.068 -1.113 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.509 -2.207 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.591 -2.826 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.763 -0.350 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.114 -2.006 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.480 -0.846 -5.656 1.00 0.00 H new ATOM 978 N GLU A 61 -11.557 -5.130 -9.097 1.00 0.00 N ATOM 979 CA GLU A 61 -10.785 -5.850 -10.132 1.00 0.00 C ATOM 980 C GLU A 61 -11.544 -5.944 -11.488 1.00 0.00 C ATOM 981 O GLU A 61 -10.919 -5.917 -12.557 1.00 0.00 O ATOM 982 CB GLU A 61 -10.431 -7.262 -9.595 1.00 0.00 C ATOM 983 CG GLU A 61 -11.636 -8.059 -9.064 1.00 0.00 C ATOM 984 CD GLU A 61 -11.233 -9.387 -8.404 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.099 -9.436 -7.160 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.042 -10.392 -9.127 1.00 0.00 O ATOM 0 H GLU A 61 -11.632 -5.645 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.874 -5.287 -10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.956 -7.833 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.697 -7.160 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.177 -7.450 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.322 -8.262 -9.887 1.00 0.00 H new ATOM 993 N GLU A 62 -12.893 -6.010 -11.410 1.00 0.00 N ATOM 994 CA GLU A 62 -13.799 -6.104 -12.578 1.00 0.00 C ATOM 995 C GLU A 62 -13.818 -4.806 -13.411 1.00 0.00 C ATOM 996 O GLU A 62 -13.909 -4.847 -14.645 1.00 0.00 O ATOM 997 CB GLU A 62 -15.234 -6.442 -12.081 1.00 0.00 C ATOM 998 CG GLU A 62 -15.369 -7.840 -11.448 1.00 0.00 C ATOM 999 CD GLU A 62 -15.088 -8.968 -12.450 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.849 -9.099 -13.429 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.118 -9.733 -12.269 1.00 0.00 O ATOM 0 H GLU A 62 -13.390 -5.999 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.428 -6.894 -13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.539 -5.693 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.925 -6.367 -12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.679 -7.924 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.375 -7.958 -11.046 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.723 -3.657 -12.723 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.848 -2.316 -13.352 1.00 0.00 C ATOM 1010 C TYR A 63 -12.480 -1.665 -13.640 1.00 0.00 C ATOM 1011 O TYR A 63 -12.426 -0.471 -13.977 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.707 -1.402 -12.447 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.155 -1.885 -12.280 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.993 -1.985 -13.386 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.683 -2.217 -11.042 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.300 -2.396 -13.266 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -17.991 -2.630 -10.915 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.796 -2.719 -12.029 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.103 -3.131 -11.902 1.00 0.00 O ATOM 0 H TYR A 63 -13.558 -3.623 -11.717 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.337 -2.446 -14.318 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.240 -1.336 -11.464 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.715 -0.395 -12.865 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.608 -1.734 -14.363 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.059 -2.151 -10.163 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.931 -2.464 -14.140 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.385 -2.884 -9.942 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.174 -4.076 -12.152 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.392 -2.464 -13.516 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.990 -2.011 -13.736 1.00 0.00 C ATOM 1031 C ASN A 64 -9.652 -0.850 -12.777 1.00 0.00 C ATOM 1032 O ASN A 64 -9.013 0.145 -13.159 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.752 -1.638 -15.241 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.285 -1.697 -15.732 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -8.035 -2.015 -16.896 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.304 -1.379 -14.897 1.00 0.00 N ATOM 0 H ASN A 64 -11.460 -3.449 -13.259 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.308 -2.831 -13.509 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.348 -2.309 -15.859 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.130 -0.629 -15.409 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.336 -1.397 -15.217 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.518 -1.117 -13.935 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.098 -0.993 -11.522 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.795 -0.029 -10.466 1.00 0.00 C ATOM 1045 C ILE A 65 -8.345 -0.270 -9.999 1.00 0.00 C ATOM 1046 O ILE A 65 -8.085 -1.086 -9.111 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.809 -0.143 -9.274 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.289 -0.074 -9.772 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.541 0.934 -8.203 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.684 1.220 -10.442 1.00 0.00 C ATOM 0 H ILE A 65 -10.675 -1.776 -11.215 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.894 0.985 -10.854 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.657 -1.119 -8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.458 -0.893 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -12.950 -0.240 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.261 0.827 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.531 0.814 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.641 1.924 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.728 1.166 -10.750 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.554 2.046 -9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.055 1.383 -11.317 1.00 0.00 H new ATOM 1062 N THR A 66 -7.413 0.380 -10.706 1.00 0.00 N ATOM 1063 CA THR A 66 -5.959 0.260 -10.499 1.00 0.00 C ATOM 1064 C THR A 66 -5.379 1.566 -9.889 1.00 0.00 C ATOM 1065 O THR A 66 -6.051 2.598 -9.929 1.00 0.00 O ATOM 1066 CB THR A 66 -5.294 -0.115 -11.877 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.919 0.620 -12.946 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.389 -1.624 -12.164 1.00 0.00 C ATOM 0 H THR A 66 -7.653 1.023 -11.460 1.00 0.00 H new ATOM 0 HA THR A 66 -5.738 -0.529 -9.780 1.00 0.00 H new ATOM 0 HB THR A 66 -4.239 0.152 -11.815 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.497 0.381 -13.798 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.919 -1.842 -13.123 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.878 -2.177 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.437 -1.923 -12.197 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.126 1.557 -9.291 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.604 2.722 -8.524 1.00 0.00 C ATOM 1078 C PRO A 67 -3.449 3.992 -9.397 1.00 0.00 C ATOM 1079 O PRO A 67 -2.771 3.975 -10.434 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.236 2.224 -7.972 1.00 0.00 C ATOM 1081 CG PRO A 67 -1.831 1.114 -8.898 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.122 0.447 -9.327 1.00 0.00 C ATOM 0 HA PRO A 67 -4.289 3.030 -7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.496 3.025 -7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.329 1.869 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.286 1.501 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.172 0.406 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.037 0.016 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.397 -0.363 -8.652 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.139 5.069 -8.984 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.039 6.376 -9.624 1.00 0.00 C ATOM 1092 C GLY A 68 -5.184 6.685 -10.577 1.00 0.00 C ATOM 1093 O GLY A 68 -5.146 7.718 -11.246 1.00 0.00 O ATOM 0 H GLY A 68 -4.782 5.049 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.003 7.145 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.098 6.430 -10.172 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.199 5.796 -10.662 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.388 6.041 -11.509 1.00 0.00 C ATOM 1099 C VAL A 69 -8.367 6.999 -10.805 1.00 0.00 C ATOM 1100 O VAL A 69 -8.481 6.988 -9.572 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.132 4.712 -11.918 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.202 3.781 -12.734 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.744 3.979 -10.691 1.00 0.00 C ATOM 0 H VAL A 69 -6.219 4.909 -10.159 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.025 6.502 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.967 4.995 -12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.741 2.873 -13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.879 4.293 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.330 3.521 -12.134 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.246 3.070 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.951 3.720 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.465 4.632 -10.199 1.00 0.00 H new ATOM 1113 N THR A 70 -9.043 7.840 -11.599 1.00 0.00 N ATOM 1114 CA THR A 70 -10.053 8.782 -11.106 1.00 0.00 C ATOM 1115 C THR A 70 -11.464 8.234 -11.394 1.00 0.00 C ATOM 1116 O THR A 70 -11.866 8.081 -12.557 1.00 0.00 O ATOM 1117 CB THR A 70 -9.887 10.187 -11.767 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.541 10.645 -11.590 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.854 11.231 -11.175 1.00 0.00 C ATOM 0 H THR A 70 -8.902 7.885 -12.608 1.00 0.00 H new ATOM 0 HA THR A 70 -9.916 8.894 -10.030 1.00 0.00 H new ATOM 0 HB THR A 70 -10.121 10.076 -12.826 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.438 11.526 -12.007 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.699 12.191 -11.668 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.882 10.904 -11.331 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.665 11.337 -10.107 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.169 7.892 -10.313 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.607 7.580 -10.323 1.00 0.00 C ATOM 1129 C LEU A 71 -14.401 8.891 -10.300 1.00 0.00 C ATOM 1130 O LEU A 71 -13.828 9.973 -10.160 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.980 6.676 -9.102 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.648 5.141 -9.217 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.271 4.863 -9.847 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.748 4.461 -7.839 1.00 0.00 C ATOM 0 H LEU A 71 -11.751 7.822 -9.385 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.856 7.027 -11.229 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.469 7.068 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.050 6.778 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.393 4.716 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.104 3.787 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.240 5.282 -10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.493 5.323 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.515 3.401 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.040 4.925 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.760 4.575 -7.449 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.715 8.783 -10.449 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.631 9.928 -10.519 1.00 0.00 C ATOM 1148 C GLU A 72 -17.869 9.609 -9.676 1.00 0.00 C ATOM 1149 O GLU A 72 -18.080 8.455 -9.284 1.00 0.00 O ATOM 1150 CB GLU A 72 -17.041 10.200 -11.995 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.868 10.397 -12.987 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.320 10.371 -14.456 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.436 9.268 -15.043 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.584 11.453 -15.022 1.00 0.00 O ATOM 0 H GLU A 72 -16.189 7.883 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.139 10.821 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.653 9.368 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.670 11.090 -12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.378 11.348 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.126 9.615 -12.826 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.674 10.636 -9.374 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.990 10.472 -8.727 1.00 0.00 C ATOM 1163 C LEU A 73 -21.061 11.188 -9.555 1.00 0.00 C ATOM 1164 O LEU A 73 -20.917 12.370 -9.874 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.975 10.987 -7.260 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.163 10.115 -6.242 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.216 10.695 -4.809 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.643 8.639 -6.260 1.00 0.00 C ATOM 0 H LEU A 73 -18.434 11.608 -9.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.226 9.409 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.565 11.997 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.004 11.058 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.121 10.139 -6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.640 10.059 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.794 11.700 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.251 10.736 -4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.061 8.059 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.698 8.596 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.507 8.224 -7.259 1.00 0.00 H new ATOM 1180 N LYS A 74 -22.092 10.431 -9.959 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.292 10.944 -10.652 1.00 0.00 C ATOM 1182 C LYS A 74 -24.484 10.851 -9.698 1.00 0.00 C ATOM 1183 O LYS A 74 -24.551 9.930 -8.882 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.559 10.124 -11.960 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.899 10.700 -13.245 1.00 0.00 C ATOM 1186 CD LYS A 74 -21.387 10.998 -13.077 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.702 11.412 -14.382 1.00 0.00 C ATOM 1188 NZ LYS A 74 -19.272 11.749 -14.173 1.00 0.00 N ATOM 0 H LYS A 74 -22.119 9.422 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.138 11.984 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.201 9.105 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.636 10.063 -12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -23.034 9.992 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -23.414 11.618 -13.529 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.260 11.792 -12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.891 10.112 -12.680 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.782 10.602 -15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -21.219 12.272 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.853 12.057 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.195 12.516 -13.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.765 10.911 -13.824 1.00 0.00 H new ATOM 1202 N THR A 75 -25.423 11.795 -9.818 1.00 0.00 N ATOM 1203 CA THR A 75 -26.613 11.848 -8.963 1.00 0.00 C ATOM 1204 C THR A 75 -27.572 10.670 -9.264 1.00 0.00 C ATOM 1205 O THR A 75 -28.116 10.555 -10.372 1.00 0.00 O ATOM 1206 CB THR A 75 -27.349 13.216 -9.122 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.555 13.504 -10.515 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.558 14.373 -8.479 1.00 0.00 C ATOM 0 H THR A 75 -25.380 12.543 -10.510 1.00 0.00 H new ATOM 0 HA THR A 75 -26.285 11.755 -7.928 1.00 0.00 H new ATOM 0 HB THR A 75 -28.307 13.131 -8.609 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.822 12.685 -10.982 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.105 15.306 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.428 14.177 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.581 14.454 -8.955 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.722 9.783 -8.265 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.646 8.642 -8.297 1.00 0.00 C ATOM 1218 C ARG A 76 -30.077 9.188 -8.117 1.00 0.00 C ATOM 1219 O ARG A 76 -30.566 9.357 -6.991 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.240 7.605 -7.193 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.794 6.154 -7.324 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.231 5.938 -6.794 1.00 0.00 C ATOM 1223 NE ARG A 76 -31.278 6.411 -7.723 1.00 0.00 N ATOM 1224 CZ ARG A 76 -32.597 6.432 -7.455 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -33.074 5.960 -6.309 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -33.436 6.917 -8.357 1.00 0.00 N ATOM 0 H ARG A 76 -27.192 9.843 -7.396 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.601 8.112 -9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.152 7.548 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.559 8.000 -6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -28.767 5.867 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.124 5.479 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -30.382 4.876 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.340 6.456 -5.841 1.00 0.00 H new ATOM 0 HE ARG A 76 -30.978 6.748 -8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -32.437 5.572 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -34.077 5.985 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -33.081 7.270 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -34.437 6.937 -8.163 1.00 0.00 H new