USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 63 GLN : amide:sc= -0.112 K(o=-0.17,f=-0.92) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.059 X(o=-0.17,f=-0.57) USER MOD Set 2.1: A 58 ASN : amide:sc= -0.829 K(o=-1.1,f=-3.3) USER MOD Set 2.2: A 77 CYS SG : rot 53:sc= -0.319 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -165:sc= 0.026 (180deg=0) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.325 K(o=-0.3,f=-0.87) USER MOD Set 4.1: A 34 GLN : amide:sc= -1.07! C(o=-0.97!,f=-5.4!) USER MOD Set 4.2: A 67 HIS : no HE2:sc= 0.099 K(o=-0.97,f=-4.6!) USER MOD Set 5.1: A 30 SER OG : rot -77:sc= 2.13 USER MOD Set 5.2: A 32 THR OG1 : rot 26:sc= 1.43 USER MOD Single : A 12 MET CE :methyl -177:sc= -0.0607 (180deg=-0.0895) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -100:sc= 2.36 (180deg=-0.619) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 45 CYS SG : rot -145:sc= 1.11 USER MOD Single : A 49 CYS SG : rot 27:sc= 0.284 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.302 K(o=0.3,f=-3.4!) USER MOD Single : A 64 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -160:sc= -0.0259 USER MOD Single : A 83 THR OG1 : rot 165:sc= 0.0239 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 11 -1.005 -0.849 -10.608 1.00 0.00 N ATOM 109 CA LEU A 11 -1.069 -1.908 -9.606 1.00 0.00 C ATOM 110 C LEU A 11 -0.409 -3.169 -10.155 1.00 0.00 C ATOM 111 O LEU A 11 -0.143 -3.265 -11.356 1.00 0.00 O ATOM 112 CB LEU A 11 -2.522 -2.150 -9.197 1.00 0.00 C ATOM 113 CG LEU A 11 -3.059 -0.956 -8.382 1.00 0.00 C ATOM 114 CD1 LEU A 11 -4.008 -0.094 -9.215 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.781 -1.473 -7.147 1.00 0.00 C ATOM 0 HA LEU A 11 -0.524 -1.610 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.136 -2.297 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.592 -3.063 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.214 -0.334 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.368 0.739 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.479 0.292 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.855 -0.697 -9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.162 -0.631 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.612 -2.110 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.087 -2.049 -6.535 1.00 0.00 H new ATOM 127 N MET A 12 -0.153 -4.143 -9.279 1.00 0.00 N ATOM 128 CA MET A 12 0.258 -5.477 -9.685 1.00 0.00 C ATOM 129 C MET A 12 -0.930 -6.395 -9.496 1.00 0.00 C ATOM 130 O MET A 12 -1.363 -6.614 -8.370 1.00 0.00 O ATOM 131 CB MET A 12 1.473 -6.001 -8.914 1.00 0.00 C ATOM 132 CG MET A 12 2.737 -5.193 -9.212 1.00 0.00 C ATOM 133 SD MET A 12 4.301 -6.090 -9.032 1.00 0.00 S ATOM 134 CE MET A 12 4.249 -6.551 -7.282 1.00 0.00 C ATOM 0 H MET A 12 -0.227 -4.023 -8.269 1.00 0.00 H new ATOM 0 HA MET A 12 0.573 -5.441 -10.728 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.265 -5.967 -7.845 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.642 -7.046 -9.172 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.672 -4.814 -10.232 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.757 -4.327 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.173 -7.063 -7.013 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.141 -5.654 -6.672 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.402 -7.214 -7.105 1.00 0.00 H new ATOM 144 N THR A 13 -1.453 -6.940 -10.586 1.00 0.00 N ATOM 145 CA THR A 13 -2.242 -8.157 -10.519 1.00 0.00 C ATOM 146 C THR A 13 -1.265 -9.328 -10.344 1.00 0.00 C ATOM 147 O THR A 13 -0.188 -9.338 -10.952 1.00 0.00 O ATOM 148 CB THR A 13 -3.059 -8.308 -11.805 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.726 -7.119 -12.194 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.118 -9.402 -11.722 1.00 0.00 C ATOM 0 H THR A 13 -1.344 -6.557 -11.525 1.00 0.00 H new ATOM 0 HA THR A 13 -2.941 -8.132 -9.683 1.00 0.00 H new ATOM 0 HB THR A 13 -2.304 -8.571 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.227 -7.280 -13.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.660 -9.456 -12.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.637 -10.360 -11.525 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.815 -9.173 -10.916 1.00 0.00 H new ATOM 158 N LEU A 14 -1.636 -10.306 -9.520 1.00 0.00 N ATOM 159 CA LEU A 14 -0.934 -11.560 -9.274 1.00 0.00 C ATOM 160 C LEU A 14 -2.000 -12.653 -9.157 1.00 0.00 C ATOM 161 O LEU A 14 -3.194 -12.357 -9.041 1.00 0.00 O ATOM 162 CB LEU A 14 -0.088 -11.505 -7.984 1.00 0.00 C ATOM 163 CG LEU A 14 0.959 -10.373 -7.913 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.505 -10.258 -6.487 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.131 -10.617 -8.869 1.00 0.00 C ATOM 0 H LEU A 14 -2.493 -10.237 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.242 -11.760 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.763 -11.404 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.428 -12.458 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 14 0.459 -9.451 -8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.243 -9.457 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.688 -10.035 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.973 -11.199 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.844 -9.797 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.624 -11.554 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.760 -10.674 -9.892 1.00 0.00 H new ATOM 177 N THR A 15 -1.604 -13.921 -9.163 1.00 0.00 N ATOM 178 CA THR A 15 -2.515 -15.031 -8.902 1.00 0.00 C ATOM 179 C THR A 15 -1.944 -15.868 -7.755 1.00 0.00 C ATOM 180 O THR A 15 -0.726 -15.973 -7.620 1.00 0.00 O ATOM 181 CB THR A 15 -2.723 -15.831 -10.199 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.159 -14.996 -11.258 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.804 -16.891 -10.050 1.00 0.00 C ATOM 0 H THR A 15 -0.643 -14.209 -9.349 1.00 0.00 H new ATOM 0 HA THR A 15 -3.499 -14.681 -8.591 1.00 0.00 H new ATOM 0 HB THR A 15 -1.754 -16.283 -10.412 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.281 -15.533 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.916 -17.431 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.523 -17.589 -9.262 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.749 -16.413 -9.791 1.00 0.00 H new ATOM 191 N ILE A 16 -2.817 -16.466 -6.941 1.00 0.00 N ATOM 192 CA ILE A 16 -2.459 -17.442 -5.919 1.00 0.00 C ATOM 193 C ILE A 16 -3.388 -18.652 -6.031 1.00 0.00 C ATOM 194 O ILE A 16 -4.447 -18.568 -6.657 1.00 0.00 O ATOM 195 CB ILE A 16 -2.467 -16.806 -4.511 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.769 -16.094 -4.106 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.348 -15.783 -4.346 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.746 -15.593 -2.660 1.00 0.00 C ATOM 0 H ILE A 16 -3.819 -16.277 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.438 -17.787 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.338 -17.673 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.940 -15.251 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.607 -16.778 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.388 -15.359 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.385 -16.270 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.471 -14.988 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.690 -15.099 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.604 -16.437 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.927 -14.885 -2.533 1.00 0.00 H new ATOM 210 N VAL A 17 -3.013 -19.776 -5.420 1.00 0.00 N ATOM 211 CA VAL A 17 -3.712 -21.051 -5.534 1.00 0.00 C ATOM 212 C VAL A 17 -3.801 -21.653 -4.130 1.00 0.00 C ATOM 213 O VAL A 17 -2.875 -21.539 -3.322 1.00 0.00 O ATOM 214 CB VAL A 17 -2.992 -21.973 -6.542 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.877 -23.164 -6.917 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.632 -21.263 -7.859 1.00 0.00 C ATOM 0 H VAL A 17 -2.192 -19.823 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.721 -20.919 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.079 -22.289 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.349 -23.800 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.112 -23.739 -6.021 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.801 -22.803 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.129 -21.964 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.542 -20.899 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.970 -20.422 -7.650 1.00 0.00 H new ATOM 226 N LYS A 18 -4.959 -22.217 -3.779 1.00 0.00 N ATOM 227 CA LYS A 18 -5.357 -22.286 -2.375 1.00 0.00 C ATOM 228 C LYS A 18 -5.289 -23.690 -1.795 1.00 0.00 C ATOM 229 O LYS A 18 -6.312 -24.346 -1.660 1.00 0.00 O ATOM 230 CB LYS A 18 -6.739 -21.657 -2.239 1.00 0.00 C ATOM 231 CG LYS A 18 -7.024 -21.422 -0.758 1.00 0.00 C ATOM 232 CD LYS A 18 -8.439 -20.876 -0.620 1.00 0.00 C ATOM 233 CE LYS A 18 -8.721 -20.690 0.861 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.149 -20.570 1.153 1.00 0.00 N ATOM 0 H LYS A 18 -5.625 -22.625 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.640 -21.722 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.781 -20.715 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.496 -22.311 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.921 -22.353 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.304 -20.718 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.536 -19.928 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.159 -21.564 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.311 -21.535 1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.206 -19.797 1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.395 -19.567 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.699 -20.965 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.370 -21.092 2.025 1.00 0.00 H new ATOM 248 N GLY A 19 -4.101 -24.114 -1.390 1.00 0.00 N ATOM 249 CA GLY A 19 -3.778 -25.509 -1.084 1.00 0.00 C ATOM 250 C GLY A 19 -4.784 -26.229 -0.187 1.00 0.00 C ATOM 251 O GLY A 19 -5.577 -27.019 -0.698 1.00 0.00 O ATOM 0 H GLY A 19 -3.310 -23.483 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.692 -26.059 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.800 -25.542 -0.605 1.00 0.00 H new ATOM 255 N ALA A 20 -4.760 -26.010 1.136 1.00 0.00 N ATOM 256 CA ALA A 20 -5.748 -26.617 2.033 1.00 0.00 C ATOM 257 C ALA A 20 -6.068 -25.729 3.231 1.00 0.00 C ATOM 258 O ALA A 20 -7.221 -25.324 3.401 1.00 0.00 O ATOM 259 CB ALA A 20 -5.284 -28.002 2.490 1.00 0.00 C ATOM 0 H ALA A 20 -4.071 -25.421 1.604 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.672 -26.727 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.031 -28.435 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.154 -28.647 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.336 -27.912 3.020 1.00 0.00 H new ATOM 265 N GLN A 21 -5.079 -25.399 4.066 1.00 0.00 N ATOM 266 CA GLN A 21 -5.278 -24.552 5.250 1.00 0.00 C ATOM 267 C GLN A 21 -5.255 -23.062 4.873 1.00 0.00 C ATOM 268 O GLN A 21 -4.634 -22.233 5.537 1.00 0.00 O ATOM 269 CB GLN A 21 -4.383 -24.945 6.434 1.00 0.00 C ATOM 270 CG GLN A 21 -2.915 -24.964 6.049 1.00 0.00 C ATOM 271 CD GLN A 21 -1.998 -25.118 7.264 1.00 0.00 C ATOM 272 OE1 GLN A 21 -2.201 -24.474 8.289 1.00 0.00 O ATOM 273 NE2 GLN A 21 -0.962 -25.936 7.185 1.00 0.00 N ATOM 0 H GLN A 21 -4.116 -25.711 3.942 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.281 -24.739 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.535 -24.242 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.676 -25.929 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.735 -25.784 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.667 -24.041 5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.797 -26.469 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.328 -26.034 7.978 1.00 0.00 H new ATOM 282 N GLY A 22 -5.953 -22.724 3.786 1.00 0.00 N ATOM 283 CA GLY A 22 -6.100 -21.372 3.290 1.00 0.00 C ATOM 284 C GLY A 22 -4.773 -20.787 2.838 1.00 0.00 C ATOM 285 O GLY A 22 -4.212 -19.922 3.513 1.00 0.00 O ATOM 0 H GLY A 22 -6.443 -23.413 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.802 -21.365 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.527 -20.743 4.071 1.00 0.00 H new ATOM 289 N PHE A 23 -4.302 -21.241 1.672 1.00 0.00 N ATOM 290 CA PHE A 23 -3.015 -20.889 1.075 1.00 0.00 C ATOM 291 C PHE A 23 -1.898 -21.353 2.008 1.00 0.00 C ATOM 292 O PHE A 23 -1.447 -22.489 1.883 1.00 0.00 O ATOM 293 CB PHE A 23 -2.943 -19.397 0.685 1.00 0.00 C ATOM 294 CG PHE A 23 -4.130 -18.885 -0.106 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.269 -18.393 0.565 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.102 -18.907 -1.512 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.387 -17.961 -0.159 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.233 -18.494 -2.232 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.368 -18.004 -1.559 1.00 0.00 C ATOM 0 H PHE A 23 -4.833 -21.893 1.095 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.888 -21.411 0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.848 -18.803 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.038 -19.233 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.279 -18.349 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.217 -19.239 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.261 -17.596 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.233 -18.552 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.224 -17.661 -2.122 1.00 0.00 H new ATOM 309 N GLY A 24 -1.512 -20.530 2.982 1.00 0.00 N ATOM 310 CA GLY A 24 -0.600 -20.865 4.061 1.00 0.00 C ATOM 311 C GLY A 24 0.062 -19.614 4.631 1.00 0.00 C ATOM 312 O GLY A 24 0.363 -19.568 5.821 1.00 0.00 O ATOM 0 H GLY A 24 -1.846 -19.568 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.142 -21.385 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.165 -21.550 3.695 1.00 0.00 H new ATOM 316 N PHE A 25 0.278 -18.597 3.775 1.00 0.00 N ATOM 317 CA PHE A 25 0.853 -17.300 4.138 1.00 0.00 C ATOM 318 C PHE A 25 -0.043 -16.586 5.165 1.00 0.00 C ATOM 319 O PHE A 25 -1.187 -16.962 5.406 1.00 0.00 O ATOM 320 CB PHE A 25 1.072 -16.421 2.880 1.00 0.00 C ATOM 321 CG PHE A 25 -0.179 -15.841 2.238 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.897 -16.612 1.312 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.576 -14.514 2.495 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.981 -16.065 0.610 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.680 -13.964 1.812 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.377 -14.742 0.868 1.00 0.00 C ATOM 0 H PHE A 25 0.048 -18.663 2.783 1.00 0.00 H new ATOM 0 HA PHE A 25 1.827 -17.470 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.732 -15.597 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.595 -17.017 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.612 -17.639 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.035 -13.918 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.508 -16.657 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.990 -12.949 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.219 -14.320 0.340 1.00 0.00 H new ATOM 336 N THR A 26 0.519 -15.544 5.789 1.00 0.00 N ATOM 337 CA THR A 26 -0.136 -14.788 6.852 1.00 0.00 C ATOM 338 C THR A 26 -0.270 -13.332 6.409 1.00 0.00 C ATOM 339 O THR A 26 0.662 -12.805 5.785 1.00 0.00 O ATOM 340 CB THR A 26 0.739 -14.833 8.119 1.00 0.00 C ATOM 341 OG1 THR A 26 2.076 -14.547 7.776 1.00 0.00 O ATOM 342 CG2 THR A 26 0.752 -16.193 8.812 1.00 0.00 C ATOM 0 H THR A 26 1.453 -15.201 5.564 1.00 0.00 H new ATOM 0 HA THR A 26 -1.117 -15.216 7.059 1.00 0.00 H new ATOM 0 HB THR A 26 0.306 -14.100 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.633 -14.574 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.389 -16.145 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.262 -16.459 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.138 -16.947 8.126 1.00 0.00 H new ATOM 350 N ILE A 27 -1.336 -12.656 6.841 1.00 0.00 N ATOM 351 CA ILE A 27 -1.469 -11.207 6.724 1.00 0.00 C ATOM 352 C ILE A 27 -1.453 -10.581 8.124 1.00 0.00 C ATOM 353 O ILE A 27 -1.670 -11.272 9.127 1.00 0.00 O ATOM 354 CB ILE A 27 -2.704 -10.819 5.871 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.031 -11.011 6.635 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.654 -11.552 4.514 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.290 -10.785 5.782 1.00 0.00 C ATOM 0 H ILE A 27 -2.137 -13.105 7.285 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.617 -10.797 6.181 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.665 -9.750 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.059 -12.021 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.052 -10.325 7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.524 -11.276 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.746 -11.270 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.657 -12.629 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.178 -10.940 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.289 -9.766 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.297 -11.489 4.950 1.00 0.00 H new ATOM 369 N ALA A 28 -1.207 -9.279 8.167 1.00 0.00 N ATOM 370 CA ALA A 28 -1.344 -8.394 9.302 1.00 0.00 C ATOM 371 C ALA A 28 -2.146 -7.189 8.824 1.00 0.00 C ATOM 372 O ALA A 28 -2.170 -6.870 7.629 1.00 0.00 O ATOM 373 CB ALA A 28 0.040 -7.955 9.795 1.00 0.00 C ATOM 0 H ALA A 28 -0.881 -8.780 7.339 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.847 -8.890 10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.073 -7.289 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.616 -8.832 10.092 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.563 -7.432 8.994 1.00 0.00 H new ATOM 379 N ASP A 29 -2.765 -6.500 9.770 1.00 0.00 N ATOM 380 CA ASP A 29 -3.457 -5.246 9.518 1.00 0.00 C ATOM 381 C ASP A 29 -2.419 -4.144 9.319 1.00 0.00 C ATOM 382 O ASP A 29 -1.335 -4.209 9.905 1.00 0.00 O ATOM 383 CB ASP A 29 -4.405 -4.958 10.689 1.00 0.00 C ATOM 384 CG ASP A 29 -5.521 -3.982 10.335 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.547 -3.432 9.211 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.440 -3.811 11.164 1.00 0.00 O ATOM 0 H ASP A 29 -2.801 -6.799 10.745 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.061 -5.299 8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.846 -5.895 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.830 -4.555 11.522 1.00 0.00 H new ATOM 391 N SER A 30 -2.700 -3.141 8.494 1.00 0.00 N ATOM 392 CA SER A 30 -1.863 -1.955 8.349 1.00 0.00 C ATOM 393 C SER A 30 -2.789 -0.730 8.287 1.00 0.00 C ATOM 394 O SER A 30 -3.965 -0.870 7.931 1.00 0.00 O ATOM 395 CB SER A 30 -0.921 -2.082 7.122 1.00 0.00 C ATOM 396 OG SER A 30 -1.543 -1.660 5.920 1.00 0.00 O ATOM 0 H SER A 30 -3.528 -3.129 7.898 1.00 0.00 H new ATOM 0 HA SER A 30 -1.197 -1.841 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.024 -1.487 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.601 -3.119 7.018 1.00 0.00 H new ATOM 0 HG SER A 30 -2.152 -2.360 5.603 1.00 0.00 H new ATOM 402 N PRO A 31 -2.260 0.487 8.507 1.00 0.00 N ATOM 403 CA PRO A 31 -3.007 1.743 8.405 1.00 0.00 C ATOM 404 C PRO A 31 -3.567 2.042 7.004 1.00 0.00 C ATOM 405 O PRO A 31 -4.167 3.098 6.804 1.00 0.00 O ATOM 406 CB PRO A 31 -2.038 2.845 8.864 1.00 0.00 C ATOM 407 CG PRO A 31 -0.650 2.211 8.789 1.00 0.00 C ATOM 408 CD PRO A 31 -0.900 0.728 8.959 1.00 0.00 C ATOM 0 HA PRO A 31 -3.899 1.681 9.029 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.106 3.723 8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.267 3.174 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.167 2.425 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.005 2.595 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.188 0.145 8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.778 0.430 10.001 1.00 0.00 H new ATOM 416 N THR A 32 -3.362 1.153 6.036 1.00 0.00 N ATOM 417 CA THR A 32 -3.570 1.400 4.620 1.00 0.00 C ATOM 418 C THR A 32 -4.383 0.289 3.945 1.00 0.00 C ATOM 419 O THR A 32 -4.610 0.379 2.743 1.00 0.00 O ATOM 420 CB THR A 32 -2.184 1.599 3.970 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.189 0.720 4.492 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.662 3.012 4.218 1.00 0.00 C ATOM 0 H THR A 32 -3.034 0.206 6.228 1.00 0.00 H new ATOM 0 HA THR A 32 -4.170 2.300 4.486 1.00 0.00 H new ATOM 0 HB THR A 32 -2.342 1.398 2.910 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.617 -0.093 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.684 3.126 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.356 3.736 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.573 3.184 5.291 1.00 0.00 H new ATOM 430 N GLY A 33 -4.792 -0.758 4.664 1.00 0.00 N ATOM 431 CA GLY A 33 -5.349 -1.983 4.093 1.00 0.00 C ATOM 432 C GLY A 33 -4.591 -3.185 4.647 1.00 0.00 C ATOM 433 O GLY A 33 -3.669 -3.014 5.449 1.00 0.00 O ATOM 0 H GLY A 33 -4.743 -0.777 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.409 -2.063 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.272 -1.959 3.006 1.00 0.00 H new ATOM 437 N GLN A 34 -4.959 -4.403 4.258 1.00 0.00 N ATOM 438 CA GLN A 34 -4.250 -5.589 4.740 1.00 0.00 C ATOM 439 C GLN A 34 -2.918 -5.766 4.012 1.00 0.00 C ATOM 440 O GLN A 34 -2.761 -5.282 2.884 1.00 0.00 O ATOM 441 CB GLN A 34 -5.141 -6.832 4.609 1.00 0.00 C ATOM 442 CG GLN A 34 -6.419 -6.737 5.451 1.00 0.00 C ATOM 443 CD GLN A 34 -6.125 -6.248 6.862 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.468 -6.943 7.631 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.590 -5.056 7.201 1.00 0.00 N ATOM 0 H GLN A 34 -5.732 -4.595 3.620 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.021 -5.452 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.410 -6.972 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.575 -7.713 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.123 -6.058 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.899 -7.715 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.132 -4.511 6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.406 -4.683 8.132 1.00 0.00 H new ATOM 454 N ARG A 35 -1.958 -6.446 4.657 1.00 0.00 N ATOM 455 CA ARG A 35 -0.626 -6.685 4.116 1.00 0.00 C ATOM 456 C ARG A 35 -0.034 -8.005 4.584 1.00 0.00 C ATOM 457 O ARG A 35 -0.385 -8.513 5.646 1.00 0.00 O ATOM 458 CB ARG A 35 0.321 -5.587 4.576 1.00 0.00 C ATOM 459 CG ARG A 35 -0.047 -4.198 4.069 1.00 0.00 C ATOM 460 CD ARG A 35 1.144 -3.311 4.392 1.00 0.00 C ATOM 461 NE ARG A 35 0.886 -1.883 4.140 1.00 0.00 N ATOM 462 CZ ARG A 35 1.415 -1.141 3.156 1.00 0.00 C ATOM 463 NH1 ARG A 35 2.145 -1.678 2.188 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.189 0.166 3.112 1.00 0.00 N ATOM 0 H ARG A 35 -2.095 -6.849 5.584 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.734 -6.705 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.341 -5.571 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.330 -5.829 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.245 -4.213 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.951 -3.831 4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.416 -3.446 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.999 -3.630 3.796 1.00 0.00 H new ATOM 0 HE ARG A 35 0.242 -1.412 4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.318 -2.683 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.533 -1.086 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.612 0.608 3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.592 0.728 2.363 1.00 0.00 H new ATOM 478 N VAL A 36 0.953 -8.501 3.851 1.00 0.00 N ATOM 479 CA VAL A 36 1.568 -9.806 4.033 1.00 0.00 C ATOM 480 C VAL A 36 2.568 -9.687 5.172 1.00 0.00 C ATOM 481 O VAL A 36 3.594 -8.996 5.075 1.00 0.00 O ATOM 482 CB VAL A 36 2.216 -10.305 2.724 1.00 0.00 C ATOM 483 CG1 VAL A 36 3.095 -11.548 2.937 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.186 -10.714 1.668 1.00 0.00 C ATOM 0 H VAL A 36 1.365 -7.979 3.078 1.00 0.00 H new ATOM 0 HA VAL A 36 0.818 -10.554 4.290 1.00 0.00 H new ATOM 0 HB VAL A 36 2.806 -9.452 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.526 -11.856 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.896 -11.312 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.488 -12.358 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.701 -11.056 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.565 -11.520 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.558 -9.858 1.422 1.00 0.00 H new ATOM 494 N LYS A 37 2.271 -10.414 6.245 1.00 0.00 N ATOM 495 CA LYS A 37 3.174 -10.597 7.365 1.00 0.00 C ATOM 496 C LYS A 37 4.323 -11.534 6.983 1.00 0.00 C ATOM 497 O LYS A 37 5.466 -11.266 7.358 1.00 0.00 O ATOM 498 CB LYS A 37 2.352 -11.109 8.561 1.00 0.00 C ATOM 499 CG LYS A 37 3.175 -11.540 9.787 1.00 0.00 C ATOM 500 CD LYS A 37 4.120 -10.445 10.294 1.00 0.00 C ATOM 501 CE LYS A 37 4.985 -10.891 11.477 1.00 0.00 C ATOM 502 NZ LYS A 37 6.109 -11.757 11.054 1.00 0.00 N ATOM 0 H LYS A 37 1.380 -10.898 6.358 1.00 0.00 H new ATOM 0 HA LYS A 37 3.642 -9.654 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.659 -10.325 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.750 -11.956 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.496 -11.826 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.758 -12.425 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.769 -10.128 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.532 -9.576 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.378 -10.013 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.366 -11.428 12.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.510 -12.237 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.764 -12.467 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.844 -11.176 10.602 1.00 0.00 H new ATOM 516 N GLN A 38 4.035 -12.646 6.301 1.00 0.00 N ATOM 517 CA GLN A 38 5.004 -13.700 6.040 1.00 0.00 C ATOM 518 C GLN A 38 4.438 -14.555 4.916 1.00 0.00 C ATOM 519 O GLN A 38 3.216 -14.578 4.748 1.00 0.00 O ATOM 520 CB GLN A 38 5.142 -14.552 7.318 1.00 0.00 C ATOM 521 CG GLN A 38 6.555 -15.059 7.587 1.00 0.00 C ATOM 522 CD GLN A 38 6.848 -14.984 9.083 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.312 -13.956 9.574 1.00 0.00 O ATOM 524 NE2 GLN A 38 6.531 -16.014 9.854 1.00 0.00 N ATOM 0 H GLN A 38 3.111 -12.836 5.913 1.00 0.00 H new ATOM 0 HA GLN A 38 5.979 -13.299 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.813 -13.960 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.470 -15.407 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.657 -16.086 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.279 -14.461 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.147 -16.863 9.439 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.671 -15.958 10.863 1.00 0.00 H new ATOM 533 N ILE A 39 5.281 -15.327 4.228 1.00 0.00 N ATOM 534 CA ILE A 39 4.870 -16.197 3.134 1.00 0.00 C ATOM 535 C ILE A 39 5.334 -17.603 3.454 1.00 0.00 C ATOM 536 O ILE A 39 6.523 -17.917 3.400 1.00 0.00 O ATOM 537 CB ILE A 39 5.350 -15.680 1.770 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.822 -14.247 1.575 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.830 -16.611 0.654 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.135 -13.665 0.204 1.00 0.00 C ATOM 0 H ILE A 39 6.282 -15.363 4.421 1.00 0.00 H new ATOM 0 HA ILE A 39 3.784 -16.204 3.045 1.00 0.00 H new ATOM 0 HB ILE A 39 6.439 -15.670 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.742 -14.243 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.253 -13.602 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.171 -16.244 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.211 -17.619 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.740 -16.628 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.733 -12.654 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.215 -13.637 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.681 -14.287 -0.568 1.00 0.00 H new ATOM 552 N LEU A 40 4.376 -18.425 3.864 1.00 0.00 N ATOM 553 CA LEU A 40 4.566 -19.757 4.391 1.00 0.00 C ATOM 554 C LEU A 40 4.177 -20.844 3.387 1.00 0.00 C ATOM 555 O LEU A 40 4.335 -22.028 3.676 1.00 0.00 O ATOM 556 CB LEU A 40 3.736 -19.886 5.650 1.00 0.00 C ATOM 557 CG LEU A 40 3.972 -18.820 6.728 1.00 0.00 C ATOM 558 CD1 LEU A 40 5.422 -18.501 7.060 1.00 0.00 C ATOM 559 CD2 LEU A 40 3.152 -17.545 6.634 1.00 0.00 C ATOM 0 H LEU A 40 3.392 -18.158 3.833 1.00 0.00 H new ATOM 0 HA LEU A 40 5.625 -19.900 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.683 -19.863 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.928 -20.865 6.088 1.00 0.00 H new ATOM 0 HG LEU A 40 3.569 -19.371 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.458 -17.735 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.920 -19.402 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.929 -18.138 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.418 -16.880 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.357 -17.050 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.091 -17.789 6.694 1.00 0.00 H new ATOM 571 N ASP A 41 3.645 -20.459 2.224 1.00 0.00 N ATOM 572 CA ASP A 41 3.677 -21.301 1.035 1.00 0.00 C ATOM 573 C ASP A 41 3.877 -20.395 -0.171 1.00 0.00 C ATOM 574 O ASP A 41 2.942 -19.760 -0.656 1.00 0.00 O ATOM 575 CB ASP A 41 2.446 -22.199 0.864 1.00 0.00 C ATOM 576 CG ASP A 41 2.611 -23.062 -0.397 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.769 -23.337 -0.810 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.590 -23.456 -0.996 1.00 0.00 O ATOM 0 H ASP A 41 3.184 -19.560 2.085 1.00 0.00 H new ATOM 0 HA ASP A 41 4.505 -22.002 1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.323 -22.836 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.546 -21.589 0.785 1.00 0.00 H new ATOM 583 N ILE A 42 5.130 -20.277 -0.588 1.00 0.00 N ATOM 584 CA ILE A 42 5.592 -19.474 -1.707 1.00 0.00 C ATOM 585 C ILE A 42 5.076 -20.079 -3.014 1.00 0.00 C ATOM 586 O ILE A 42 4.651 -19.356 -3.911 1.00 0.00 O ATOM 587 CB ILE A 42 7.138 -19.440 -1.630 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.591 -18.576 -0.431 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.769 -18.966 -2.945 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.066 -18.748 -0.072 1.00 0.00 C ATOM 0 H ILE A 42 5.895 -20.769 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 42 5.213 -18.453 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 42 7.492 -20.459 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.402 -17.527 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.983 -18.829 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.854 -18.958 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.484 -19.643 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.418 -17.960 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.310 -18.111 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.258 -19.789 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.683 -18.467 -0.925 1.00 0.00 H new ATOM 602 N GLN A 43 5.123 -21.402 -3.154 1.00 0.00 N ATOM 603 CA GLN A 43 4.693 -22.095 -4.364 1.00 0.00 C ATOM 604 C GLN A 43 3.178 -21.961 -4.570 1.00 0.00 C ATOM 605 O GLN A 43 2.718 -21.851 -5.707 1.00 0.00 O ATOM 606 CB GLN A 43 5.117 -23.556 -4.237 1.00 0.00 C ATOM 607 CG GLN A 43 6.625 -23.766 -4.464 1.00 0.00 C ATOM 608 CD GLN A 43 6.933 -24.372 -5.830 1.00 0.00 C ATOM 609 OE1 GLN A 43 7.598 -23.764 -6.668 1.00 0.00 O ATOM 610 NE2 GLN A 43 6.483 -25.593 -6.070 1.00 0.00 N ATOM 0 H GLN A 43 5.464 -22.028 -2.424 1.00 0.00 H new ATOM 0 HA GLN A 43 5.161 -21.650 -5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.850 -23.921 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.560 -24.154 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.140 -22.810 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.019 -24.418 -3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.933 -26.082 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.686 -26.045 -6.961 1.00 0.00 H new ATOM 619 N GLY A 44 2.393 -21.916 -3.491 1.00 0.00 N ATOM 620 CA GLY A 44 0.972 -21.605 -3.562 1.00 0.00 C ATOM 621 C GLY A 44 0.714 -20.131 -3.871 1.00 0.00 C ATOM 622 O GLY A 44 -0.375 -19.799 -4.340 1.00 0.00 O ATOM 0 H GLY A 44 2.729 -22.095 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.506 -22.222 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.498 -21.863 -2.615 1.00 0.00 H new ATOM 626 N CYS A 45 1.680 -19.237 -3.616 1.00 0.00 N ATOM 627 CA CYS A 45 1.502 -17.795 -3.755 1.00 0.00 C ATOM 628 C CYS A 45 2.642 -17.200 -4.599 1.00 0.00 C ATOM 629 O CYS A 45 3.492 -16.481 -4.059 1.00 0.00 O ATOM 630 CB CYS A 45 1.345 -17.115 -2.380 1.00 0.00 C ATOM 631 SG CYS A 45 0.289 -18.124 -1.308 1.00 0.00 S ATOM 0 H CYS A 45 2.614 -19.503 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 45 0.573 -17.600 -4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.323 -16.980 -1.918 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.911 -16.123 -2.503 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.430 -17.348 -0.552 1.00 0.00 H new ATOM 637 N PRO A 46 2.699 -17.505 -5.909 1.00 0.00 N ATOM 638 CA PRO A 46 3.761 -17.014 -6.772 1.00 0.00 C ATOM 639 C PRO A 46 3.684 -15.493 -6.892 1.00 0.00 C ATOM 640 O PRO A 46 2.615 -14.890 -6.787 1.00 0.00 O ATOM 641 CB PRO A 46 3.564 -17.721 -8.116 1.00 0.00 C ATOM 642 CG PRO A 46 2.065 -18.006 -8.144 1.00 0.00 C ATOM 643 CD PRO A 46 1.742 -18.288 -6.678 1.00 0.00 C ATOM 0 HA PRO A 46 4.754 -17.228 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.870 -17.091 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.149 -18.638 -8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.500 -17.156 -8.526 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.828 -18.858 -8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.718 -18.000 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.834 -19.351 -6.454 1.00 0.00 H new ATOM 651 N GLY A 47 4.840 -14.862 -7.084 1.00 0.00 N ATOM 652 CA GLY A 47 4.988 -13.421 -7.221 1.00 0.00 C ATOM 653 C GLY A 47 4.719 -12.618 -5.948 1.00 0.00 C ATOM 654 O GLY A 47 5.233 -11.503 -5.841 1.00 0.00 O ATOM 0 H GLY A 47 5.728 -15.360 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.001 -13.206 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.310 -13.074 -8.001 1.00 0.00 H new ATOM 658 N LEU A 48 3.983 -13.160 -4.976 1.00 0.00 N ATOM 659 CA LEU A 48 3.660 -12.518 -3.709 1.00 0.00 C ATOM 660 C LEU A 48 4.945 -12.153 -2.965 1.00 0.00 C ATOM 661 O LEU A 48 5.852 -12.990 -2.882 1.00 0.00 O ATOM 662 CB LEU A 48 2.801 -13.489 -2.874 1.00 0.00 C ATOM 663 CG LEU A 48 2.156 -12.831 -1.640 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.024 -11.911 -2.088 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.566 -13.878 -0.683 1.00 0.00 C ATOM 0 H LEU A 48 3.582 -14.094 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 48 3.102 -11.598 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.016 -13.904 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.422 -14.323 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 48 2.935 -12.274 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.567 -11.445 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.422 -11.138 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.273 -12.492 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.120 -13.376 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.802 -14.456 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.357 -14.546 -0.342 1.00 0.00 H new ATOM 677 N CYS A 49 5.009 -10.949 -2.395 1.00 0.00 N ATOM 678 CA CYS A 49 6.085 -10.494 -1.518 1.00 0.00 C ATOM 679 C CYS A 49 5.493 -9.953 -0.217 1.00 0.00 C ATOM 680 O CYS A 49 4.328 -9.551 -0.170 1.00 0.00 O ATOM 681 CB CYS A 49 6.906 -9.368 -2.161 1.00 0.00 C ATOM 682 SG CYS A 49 7.221 -9.601 -3.929 1.00 0.00 S ATOM 0 H CYS A 49 4.288 -10.241 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 49 6.734 -11.350 -1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.382 -8.423 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.860 -9.286 -1.640 1.00 0.00 H new ATOM 0 HG CYS A 49 6.275 -10.327 -4.446 1.00 0.00 H new ATOM 688 N GLU A 50 6.319 -9.874 0.823 1.00 0.00 N ATOM 689 CA GLU A 50 5.949 -9.332 2.122 1.00 0.00 C ATOM 690 C GLU A 50 5.802 -7.810 2.016 1.00 0.00 C ATOM 691 O GLU A 50 6.609 -7.141 1.357 1.00 0.00 O ATOM 692 CB GLU A 50 7.005 -9.736 3.164 1.00 0.00 C ATOM 693 CG GLU A 50 7.047 -11.261 3.376 1.00 0.00 C ATOM 694 CD GLU A 50 8.389 -11.720 3.943 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.336 -11.899 3.145 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.471 -11.915 5.181 1.00 0.00 O ATOM 0 H GLU A 50 7.287 -10.193 0.782 1.00 0.00 H new ATOM 0 HA GLU A 50 4.990 -9.738 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.986 -9.387 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.787 -9.243 4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.246 -11.555 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.862 -11.765 2.427 1.00 0.00 H new ATOM 703 N GLY A 51 4.788 -7.249 2.680 1.00 0.00 N ATOM 704 CA GLY A 51 4.463 -5.832 2.572 1.00 0.00 C ATOM 705 C GLY A 51 4.049 -5.466 1.146 1.00 0.00 C ATOM 706 O GLY A 51 4.574 -4.531 0.554 1.00 0.00 O ATOM 0 H GLY A 51 4.172 -7.767 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.655 -5.588 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.326 -5.235 2.867 1.00 0.00 H new ATOM 710 N ASP A 52 3.125 -6.224 0.572 1.00 0.00 N ATOM 711 CA ASP A 52 2.170 -5.807 -0.457 1.00 0.00 C ATOM 712 C ASP A 52 1.208 -4.744 0.112 1.00 0.00 C ATOM 713 O ASP A 52 1.461 -4.181 1.181 1.00 0.00 O ATOM 714 CB ASP A 52 1.368 -7.049 -0.889 1.00 0.00 C ATOM 715 CG ASP A 52 0.414 -7.513 0.213 1.00 0.00 C ATOM 716 OD1 ASP A 52 0.825 -7.439 1.387 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.709 -7.966 -0.068 1.00 0.00 O ATOM 0 H ASP A 52 3.012 -7.206 0.824 1.00 0.00 H new ATOM 0 HA ASP A 52 2.699 -5.375 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.800 -6.821 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.055 -7.857 -1.141 1.00 0.00 H new ATOM 722 N LEU A 53 0.113 -4.441 -0.598 1.00 0.00 N ATOM 723 CA LEU A 53 -1.045 -3.738 -0.057 1.00 0.00 C ATOM 724 C LEU A 53 -2.290 -4.273 -0.759 1.00 0.00 C ATOM 725 O LEU A 53 -2.390 -4.121 -1.972 1.00 0.00 O ATOM 726 CB LEU A 53 -0.875 -2.227 -0.293 1.00 0.00 C ATOM 727 CG LEU A 53 -1.831 -1.305 0.483 1.00 0.00 C ATOM 728 CD1 LEU A 53 -3.216 -1.111 -0.136 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.996 -1.734 1.944 1.00 0.00 C ATOM 0 H LEU A 53 0.011 -4.685 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.142 -3.901 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.148 -1.953 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.999 -2.031 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.328 -0.340 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.805 -0.444 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.113 -0.675 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.718 -2.075 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.680 -1.052 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.399 -2.746 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.027 -1.710 2.442 1.00 0.00 H new ATOM 741 N ILE A 54 -3.205 -4.919 -0.041 1.00 0.00 N ATOM 742 CA ILE A 54 -4.358 -5.645 -0.589 1.00 0.00 C ATOM 743 C ILE A 54 -5.391 -4.663 -1.161 1.00 0.00 C ATOM 744 O ILE A 54 -5.852 -3.771 -0.443 1.00 0.00 O ATOM 745 CB ILE A 54 -4.946 -6.537 0.529 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.921 -7.598 1.009 1.00 0.00 C ATOM 747 CG2 ILE A 54 -6.293 -7.163 0.133 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.988 -8.949 0.304 1.00 0.00 C ATOM 0 H ILE A 54 -3.166 -4.955 0.978 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.051 -6.283 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.154 -5.886 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.918 -7.191 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.066 -7.759 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.663 -7.780 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.013 -6.373 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.160 -7.781 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.229 -9.613 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.974 -9.388 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.809 -8.812 -0.762 1.00 0.00 H new ATOM 760 N VAL A 55 -5.775 -4.843 -2.433 1.00 0.00 N ATOM 761 CA VAL A 55 -6.668 -3.946 -3.168 1.00 0.00 C ATOM 762 C VAL A 55 -7.891 -4.686 -3.690 1.00 0.00 C ATOM 763 O VAL A 55 -9.010 -4.280 -3.374 1.00 0.00 O ATOM 764 CB VAL A 55 -5.888 -3.257 -4.305 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.802 -2.503 -5.280 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.852 -2.303 -3.709 1.00 0.00 C ATOM 0 H VAL A 55 -5.463 -5.638 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.036 -3.178 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.392 -4.039 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.198 -2.038 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.505 -3.202 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.353 -1.733 -4.740 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.301 -1.816 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.357 -1.548 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.159 -2.864 -3.082 1.00 0.00 H new ATOM 776 N GLU A 56 -7.701 -5.743 -4.481 1.00 0.00 N ATOM 777 CA GLU A 56 -8.803 -6.503 -5.059 1.00 0.00 C ATOM 778 C GLU A 56 -8.538 -7.990 -4.881 1.00 0.00 C ATOM 779 O GLU A 56 -7.383 -8.432 -4.909 1.00 0.00 O ATOM 780 CB GLU A 56 -9.044 -6.139 -6.540 1.00 0.00 C ATOM 781 CG GLU A 56 -9.884 -4.871 -6.685 1.00 0.00 C ATOM 782 CD GLU A 56 -10.074 -4.435 -8.141 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.757 -5.170 -8.908 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.626 -3.322 -8.497 1.00 0.00 O ATOM 0 H GLU A 56 -6.778 -6.094 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.720 -6.241 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.086 -5.999 -7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.547 -6.967 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.861 -5.037 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.408 -4.063 -6.130 1.00 0.00 H new ATOM 791 N ILE A 57 -9.618 -8.745 -4.679 1.00 0.00 N ATOM 792 CA ILE A 57 -9.651 -10.191 -4.556 1.00 0.00 C ATOM 793 C ILE A 57 -10.807 -10.642 -5.426 1.00 0.00 C ATOM 794 O ILE A 57 -11.935 -10.215 -5.200 1.00 0.00 O ATOM 795 CB ILE A 57 -9.889 -10.635 -3.102 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.839 -9.989 -2.189 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.832 -12.176 -3.028 1.00 0.00 C ATOM 798 CD1 ILE A 57 -9.085 -10.276 -0.715 1.00 0.00 C ATOM 0 H ILE A 57 -10.547 -8.332 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.699 -10.627 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.873 -10.311 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.850 -10.353 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.838 -8.911 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.000 -12.497 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.603 -12.600 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.853 -12.520 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.312 -9.794 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.062 -9.887 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.058 -11.352 -0.544 1.00 0.00 H new ATOM 810 N ASN A 58 -10.548 -11.527 -6.382 1.00 0.00 N ATOM 811 CA ASN A 58 -11.545 -12.112 -7.267 1.00 0.00 C ATOM 812 C ASN A 58 -12.435 -11.050 -7.937 1.00 0.00 C ATOM 813 O ASN A 58 -13.606 -11.302 -8.215 1.00 0.00 O ATOM 814 CB ASN A 58 -12.331 -13.209 -6.520 1.00 0.00 C ATOM 815 CG ASN A 58 -11.459 -14.402 -6.138 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.575 -14.814 -6.894 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.674 -14.988 -4.978 1.00 0.00 N ATOM 0 H ASN A 58 -9.605 -11.868 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.034 -12.595 -8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.773 -12.784 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.154 -13.552 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.108 -15.789 -4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.407 -14.641 -4.359 1.00 0.00 H new ATOM 824 N GLN A 59 -11.870 -9.874 -8.234 1.00 0.00 N ATOM 825 CA GLN A 59 -12.491 -8.684 -8.787 1.00 0.00 C ATOM 826 C GLN A 59 -13.488 -7.975 -7.857 1.00 0.00 C ATOM 827 O GLN A 59 -14.197 -7.072 -8.304 1.00 0.00 O ATOM 828 CB GLN A 59 -13.039 -8.942 -10.208 1.00 0.00 C ATOM 829 CG GLN A 59 -12.614 -7.805 -11.147 1.00 0.00 C ATOM 830 CD GLN A 59 -13.692 -7.385 -12.144 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.080 -6.219 -12.192 1.00 0.00 O ATOM 832 NE2 GLN A 59 -14.188 -8.297 -12.964 1.00 0.00 N ATOM 0 H GLN A 59 -10.873 -9.727 -8.075 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.689 -7.952 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.665 -9.894 -10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.126 -9.015 -10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.331 -6.940 -10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.726 -8.115 -11.698 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.858 -9.261 -12.914 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.900 -8.036 -13.646 1.00 0.00 H new ATOM 841 N GLN A 60 -13.552 -8.326 -6.573 1.00 0.00 N ATOM 842 CA GLN A 60 -14.181 -7.543 -5.520 1.00 0.00 C ATOM 843 C GLN A 60 -13.117 -6.600 -4.951 1.00 0.00 C ATOM 844 O GLN A 60 -12.001 -7.040 -4.658 1.00 0.00 O ATOM 845 CB GLN A 60 -14.739 -8.521 -4.475 1.00 0.00 C ATOM 846 CG GLN A 60 -15.075 -7.873 -3.133 1.00 0.00 C ATOM 847 CD GLN A 60 -15.867 -8.817 -2.233 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.887 -8.427 -1.682 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.445 -10.058 -2.052 1.00 0.00 N ATOM 0 H GLN A 60 -13.150 -9.198 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.012 -6.935 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.638 -8.990 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.011 -9.315 -4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.154 -7.578 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.651 -6.963 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.594 -10.380 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.971 -10.693 -1.451 1.00 0.00 H new ATOM 858 N ASN A 61 -13.441 -5.311 -4.795 1.00 0.00 N ATOM 859 CA ASN A 61 -12.542 -4.354 -4.152 1.00 0.00 C ATOM 860 C ASN A 61 -12.637 -4.490 -2.640 1.00 0.00 C ATOM 861 O ASN A 61 -13.727 -4.658 -2.088 1.00 0.00 O ATOM 862 CB ASN A 61 -12.868 -2.926 -4.591 1.00 0.00 C ATOM 863 CG ASN A 61 -11.789 -1.951 -4.148 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.753 -1.537 -2.993 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.917 -1.522 -5.043 1.00 0.00 N ATOM 0 H ASN A 61 -14.324 -4.908 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.519 -4.572 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.969 -2.891 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.828 -2.625 -4.171 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.206 -0.841 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.955 -1.872 -6.000 1.00 0.00 H new ATOM 872 N VAL A 62 -11.485 -4.421 -1.978 1.00 0.00 N ATOM 873 CA VAL A 62 -11.312 -4.685 -0.559 1.00 0.00 C ATOM 874 C VAL A 62 -10.409 -3.630 0.110 1.00 0.00 C ATOM 875 O VAL A 62 -9.930 -3.838 1.229 1.00 0.00 O ATOM 876 CB VAL A 62 -10.797 -6.130 -0.380 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.785 -7.186 -0.904 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.453 -6.377 -1.073 1.00 0.00 C ATOM 0 H VAL A 62 -10.611 -4.168 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.271 -4.602 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.680 -6.234 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.368 -8.182 -0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.729 -7.101 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.959 -7.025 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.144 -7.410 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.556 -6.193 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.701 -5.705 -0.659 1.00 0.00 H new ATOM 888 N GLN A 63 -10.131 -2.501 -0.558 1.00 0.00 N ATOM 889 CA GLN A 63 -9.224 -1.481 -0.031 1.00 0.00 C ATOM 890 C GLN A 63 -9.707 -0.858 1.281 1.00 0.00 C ATOM 891 O GLN A 63 -8.875 -0.354 2.038 1.00 0.00 O ATOM 892 CB GLN A 63 -8.978 -0.372 -1.070 1.00 0.00 C ATOM 893 CG GLN A 63 -7.806 -0.709 -1.996 1.00 0.00 C ATOM 894 CD GLN A 63 -7.094 0.526 -2.554 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.071 0.773 -3.760 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.438 1.296 -1.700 1.00 0.00 N ATOM 0 H GLN A 63 -10.526 -2.274 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.289 -1.999 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.880 -0.224 -1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.777 0.568 -0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.086 -1.318 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.171 -1.314 -2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.461 1.086 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.909 2.099 -2.040 1.00 0.00 H new ATOM 905 N ASN A 64 -11.012 -0.878 1.565 1.00 0.00 N ATOM 906 CA ASN A 64 -11.595 -0.205 2.727 1.00 0.00 C ATOM 907 C ASN A 64 -12.299 -1.232 3.619 1.00 0.00 C ATOM 908 O ASN A 64 -13.315 -0.910 4.242 1.00 0.00 O ATOM 909 CB ASN A 64 -12.537 0.945 2.315 1.00 0.00 C ATOM 910 CG ASN A 64 -11.980 1.874 1.243 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.447 2.942 1.544 1.00 0.00 O ATOM 912 ND2 ASN A 64 -12.102 1.497 -0.018 1.00 0.00 N ATOM 0 H ASN A 64 -11.699 -1.366 0.990 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.790 0.256 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.473 0.518 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.775 1.536 3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.751 2.096 -0.766 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.547 0.608 -0.244 1.00 0.00 H new ATOM 919 N LEU A 65 -11.808 -2.477 3.626 1.00 0.00 N ATOM 920 CA LEU A 65 -12.283 -3.540 4.503 1.00 0.00 C ATOM 921 C LEU A 65 -11.375 -3.677 5.721 1.00 0.00 C ATOM 922 O LEU A 65 -10.244 -3.174 5.745 1.00 0.00 O ATOM 923 CB LEU A 65 -12.356 -4.878 3.747 1.00 0.00 C ATOM 924 CG LEU A 65 -13.474 -4.971 2.699 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.525 -6.402 2.167 1.00 0.00 C ATOM 926 CD2 LEU A 65 -14.856 -4.648 3.264 1.00 0.00 C ATOM 0 H LEU A 65 -11.054 -2.774 3.007 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.285 -3.276 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.400 -5.051 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.490 -5.681 4.472 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.243 -4.240 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.315 -6.485 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.568 -6.655 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.729 -7.089 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.601 -4.732 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.095 -5.349 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.859 -3.632 3.659 1.00 0.00 H new ATOM 938 N SER A 66 -11.880 -4.386 6.725 1.00 0.00 N ATOM 939 CA SER A 66 -11.141 -4.814 7.898 1.00 0.00 C ATOM 940 C SER A 66 -10.406 -6.121 7.604 1.00 0.00 C ATOM 941 O SER A 66 -10.760 -6.860 6.682 1.00 0.00 O ATOM 942 CB SER A 66 -12.122 -4.986 9.060 1.00 0.00 C ATOM 943 OG SER A 66 -12.877 -3.798 9.239 1.00 0.00 O ATOM 0 H SER A 66 -12.854 -4.688 6.740 1.00 0.00 H new ATOM 0 HA SER A 66 -10.396 -4.065 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.790 -5.824 8.862 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.577 -5.222 9.974 1.00 0.00 H new ATOM 0 HG SER A 66 -13.503 -3.917 9.983 1.00 0.00 H new ATOM 949 N HIS A 67 -9.421 -6.433 8.443 1.00 0.00 N ATOM 950 CA HIS A 67 -8.648 -7.662 8.452 1.00 0.00 C ATOM 951 C HIS A 67 -9.559 -8.864 8.316 1.00 0.00 C ATOM 952 O HIS A 67 -9.439 -9.633 7.370 1.00 0.00 O ATOM 953 CB HIS A 67 -7.835 -7.710 9.753 1.00 0.00 C ATOM 954 CG HIS A 67 -6.999 -8.951 9.899 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.687 -9.071 9.513 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.382 -10.137 10.459 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.271 -10.296 9.876 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.274 -10.993 10.453 1.00 0.00 N ATOM 0 H HIS A 67 -9.127 -5.791 9.179 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.965 -7.686 7.603 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.184 -6.837 9.796 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.517 -7.641 10.600 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.130 -8.361 9.038 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.365 -10.372 10.839 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.270 -10.673 9.727 1.00 0.00 H new ATOM 966 N THR A 68 -10.492 -8.997 9.248 1.00 0.00 N ATOM 967 CA THR A 68 -11.353 -10.148 9.378 1.00 0.00 C ATOM 968 C THR A 68 -12.156 -10.368 8.099 1.00 0.00 C ATOM 969 O THR A 68 -12.267 -11.500 7.661 1.00 0.00 O ATOM 970 CB THR A 68 -12.252 -9.939 10.598 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.519 -9.368 11.670 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.880 -11.245 11.053 1.00 0.00 C ATOM 0 H THR A 68 -10.670 -8.281 9.952 1.00 0.00 H new ATOM 0 HA THR A 68 -10.762 -11.051 9.527 1.00 0.00 H new ATOM 0 HB THR A 68 -13.047 -9.255 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.111 -9.241 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.513 -11.061 11.921 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.484 -11.659 10.245 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.095 -11.953 11.319 1.00 0.00 H new ATOM 980 N GLU A 69 -12.648 -9.298 7.474 1.00 0.00 N ATOM 981 CA GLU A 69 -13.432 -9.338 6.246 1.00 0.00 C ATOM 982 C GLU A 69 -12.568 -9.849 5.091 1.00 0.00 C ATOM 983 O GLU A 69 -12.988 -10.720 4.336 1.00 0.00 O ATOM 984 CB GLU A 69 -13.999 -7.944 5.952 1.00 0.00 C ATOM 985 CG GLU A 69 -14.833 -7.362 7.106 1.00 0.00 C ATOM 986 CD GLU A 69 -16.148 -8.092 7.399 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.708 -8.775 6.516 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.644 -7.942 8.541 1.00 0.00 O ATOM 0 H GLU A 69 -12.505 -8.350 7.823 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.269 -10.026 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.175 -7.265 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.619 -7.994 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.225 -7.368 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.058 -6.320 6.880 1.00 0.00 H new ATOM 995 N VAL A 70 -11.332 -9.362 4.969 1.00 0.00 N ATOM 996 CA VAL A 70 -10.399 -9.809 3.940 1.00 0.00 C ATOM 997 C VAL A 70 -10.046 -11.288 4.159 1.00 0.00 C ATOM 998 O VAL A 70 -9.977 -12.062 3.203 1.00 0.00 O ATOM 999 CB VAL A 70 -9.187 -8.856 3.954 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.019 -9.346 3.090 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.624 -7.460 3.474 1.00 0.00 C ATOM 0 H VAL A 70 -10.951 -8.644 5.585 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.837 -9.764 2.943 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.829 -8.820 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.200 -8.629 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.678 -10.315 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.348 -9.443 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.767 -6.787 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.018 -7.531 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.397 -7.073 4.137 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.864 -11.707 5.413 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.668 -13.106 5.770 1.00 0.00 C ATOM 1013 C VAL A 71 -10.906 -13.911 5.383 1.00 0.00 C ATOM 1014 O VAL A 71 -10.765 -15.026 4.889 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.328 -13.219 7.272 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.233 -14.676 7.743 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -7.967 -12.580 7.514 1.00 0.00 C ATOM 0 H VAL A 71 -9.849 -11.076 6.214 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.825 -13.524 5.219 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.127 -12.723 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.992 -14.700 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.187 -15.175 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.452 -15.189 7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.714 -12.653 8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.211 -13.098 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.000 -11.531 7.220 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.090 -13.359 5.602 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.388 -13.988 5.331 1.00 0.00 C ATOM 1029 C ASP A 72 -13.535 -14.271 3.839 1.00 0.00 C ATOM 1030 O ASP A 72 -13.820 -15.393 3.432 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.553 -13.122 5.844 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.482 -13.938 6.728 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.379 -14.629 6.190 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.302 -13.946 7.968 1.00 0.00 O ATOM 0 H ASP A 72 -12.184 -12.420 5.990 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.425 -14.934 5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.162 -12.273 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.110 -12.716 5.000 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.247 -13.275 3.008 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.278 -13.365 1.551 1.00 0.00 C ATOM 1041 C ILE A 73 -12.286 -14.439 1.090 1.00 0.00 C ATOM 1042 O ILE A 73 -12.608 -15.267 0.232 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.974 -11.957 0.995 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.154 -11.022 1.339 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.751 -11.938 -0.526 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.764 -9.548 1.314 1.00 0.00 C ATOM 0 H ILE A 73 -12.976 -12.350 3.341 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.252 -13.672 1.171 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.046 -11.622 1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.965 -11.191 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.537 -11.276 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.542 -10.919 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.906 -12.579 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.646 -12.303 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.632 -8.938 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.973 -9.368 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.408 -9.283 0.319 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.081 -14.460 1.672 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.098 -15.491 1.375 1.00 0.00 C ATOM 1060 C LEU A 74 -10.527 -16.858 1.916 1.00 0.00 C ATOM 1061 O LEU A 74 -10.128 -17.861 1.331 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.699 -15.107 1.877 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.087 -13.882 1.170 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.951 -13.297 2.018 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.549 -14.245 -0.222 1.00 0.00 C ATOM 0 H LEU A 74 -10.769 -13.768 2.353 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.044 -15.572 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.752 -14.906 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.032 -15.959 1.746 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.878 -13.142 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.526 -12.432 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.342 -12.991 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.177 -14.051 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.125 -13.357 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.777 -15.009 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.363 -14.627 -0.838 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.336 -16.960 2.982 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.898 -18.243 3.424 1.00 0.00 C ATOM 1079 C LYS A 75 -12.844 -18.746 2.345 1.00 0.00 C ATOM 1080 O LYS A 75 -12.752 -19.925 2.003 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.684 -18.166 4.747 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.861 -17.981 6.025 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.713 -17.360 7.132 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.440 -17.930 8.514 1.00 0.00 C ATOM 1085 NZ LYS A 75 -11.103 -17.564 9.027 1.00 0.00 N ATOM 0 H LYS A 75 -11.616 -16.164 3.555 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.054 -18.911 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.391 -17.340 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.270 -19.080 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.472 -18.944 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.001 -17.343 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.537 -16.285 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.766 -17.506 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.201 -17.572 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.526 -19.016 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.968 -17.978 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.372 -17.928 8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.026 -16.529 9.089 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.695 -17.879 1.793 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.680 -18.270 0.787 1.00 0.00 C ATOM 1101 C ASP A 76 -14.027 -18.759 -0.509 1.00 0.00 C ATOM 1102 O ASP A 76 -14.621 -19.563 -1.223 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.637 -17.112 0.471 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.967 -17.669 -0.052 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.798 -18.092 0.771 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.164 -17.695 -1.300 1.00 0.00 O ATOM 0 H ASP A 76 -13.720 -16.888 2.031 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.243 -19.099 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.809 -16.515 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.191 -16.451 -0.272 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.802 -18.307 -0.809 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.073 -18.717 -2.006 1.00 0.00 C ATOM 1113 C CYS A 77 -11.989 -20.251 -2.092 1.00 0.00 C ATOM 1114 O CYS A 77 -11.641 -20.907 -1.103 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.669 -18.132 -2.010 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.725 -16.328 -2.129 1.00 0.00 S ATOM 0 H CYS A 77 -12.292 -17.645 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.617 -18.340 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.146 -18.425 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.103 -18.539 -2.848 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.501 -15.856 -1.199 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.260 -20.823 -3.269 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.297 -22.255 -3.490 1.00 0.00 C ATOM 1124 C PRO A 78 -10.898 -22.858 -3.361 1.00 0.00 C ATOM 1125 O PRO A 78 -9.892 -22.309 -3.816 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.960 -22.438 -4.856 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.820 -21.091 -5.573 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.571 -20.083 -4.472 1.00 0.00 C ATOM 0 HA PRO A 78 -12.876 -22.796 -2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.476 -23.234 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.008 -22.716 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.996 -21.108 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.722 -20.847 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.748 -19.420 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.449 -19.456 -4.320 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.844 -23.978 -2.648 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.633 -24.692 -2.290 1.00 0.00 C ATOM 1138 C ILE A 79 -9.078 -25.347 -3.558 1.00 0.00 C ATOM 1139 O ILE A 79 -9.782 -26.079 -4.257 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.970 -25.704 -1.175 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -10.347 -25.040 0.169 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.844 -26.732 -0.979 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.167 -24.424 0.924 1.00 0.00 C ATOM 0 H ILE A 79 -11.685 -24.430 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.861 -24.031 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.861 -26.229 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.088 -24.263 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.822 -25.785 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.120 -27.427 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.689 -27.283 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.924 -26.216 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.522 -23.981 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.434 -25.199 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.704 -23.653 0.308 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.803 -25.097 -3.832 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.035 -25.611 -4.949 1.00 0.00 C ATOM 1157 C GLY A 80 -7.508 -25.084 -6.290 1.00 0.00 C ATOM 1158 O GLY A 80 -7.088 -25.615 -7.319 1.00 0.00 O ATOM 0 H GLY A 80 -7.244 -24.487 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.986 -25.349 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.094 -26.699 -4.952 1.00 0.00 H new ATOM 1162 N SER A 81 -8.363 -24.070 -6.302 1.00 0.00 N ATOM 1163 CA SER A 81 -8.649 -23.273 -7.473 1.00 0.00 C ATOM 1164 C SER A 81 -7.698 -22.075 -7.458 1.00 0.00 C ATOM 1165 O SER A 81 -7.034 -21.792 -6.448 1.00 0.00 O ATOM 1166 CB SER A 81 -10.108 -22.826 -7.398 1.00 0.00 C ATOM 1167 OG SER A 81 -10.962 -23.951 -7.296 1.00 0.00 O ATOM 0 H SER A 81 -8.885 -23.777 -5.476 1.00 0.00 H new ATOM 0 HA SER A 81 -8.505 -23.831 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.252 -22.173 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.364 -22.246 -8.285 1.00 0.00 H new ATOM 0 HG SER A 81 -11.870 -23.698 -7.564 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.632 -21.372 -8.582 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.891 -20.139 -8.686 1.00 0.00 C ATOM 1175 C GLU A 82 -7.718 -19.021 -8.038 1.00 0.00 C ATOM 1176 O GLU A 82 -8.948 -19.014 -8.087 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.611 -19.832 -10.168 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.139 -19.924 -10.568 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.566 -21.296 -10.915 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.112 -22.352 -10.525 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.517 -21.292 -11.604 1.00 0.00 O ATOM 0 H GLU A 82 -8.096 -21.650 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.934 -20.220 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.186 -20.524 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.973 -18.829 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.988 -19.273 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.546 -19.514 -9.750 1.00 0.00 H new ATOM 1188 N THR A 83 -7.048 -18.027 -7.470 1.00 0.00 N ATOM 1189 CA THR A 83 -7.627 -16.855 -6.830 1.00 0.00 C ATOM 1190 C THR A 83 -6.877 -15.649 -7.408 1.00 0.00 C ATOM 1191 O THR A 83 -5.641 -15.638 -7.428 1.00 0.00 O ATOM 1192 CB THR A 83 -7.445 -16.991 -5.311 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.846 -18.268 -4.845 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.278 -15.952 -4.567 1.00 0.00 C ATOM 0 H THR A 83 -6.028 -18.017 -7.442 1.00 0.00 H new ATOM 0 HA THR A 83 -8.695 -16.741 -7.013 1.00 0.00 H new ATOM 0 HB THR A 83 -6.382 -16.844 -5.118 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.498 -18.410 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.132 -16.069 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.966 -14.952 -4.869 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.332 -16.091 -4.807 1.00 0.00 H new ATOM 1202 N SER A 84 -7.606 -14.671 -7.944 1.00 0.00 N ATOM 1203 CA SER A 84 -7.047 -13.596 -8.752 1.00 0.00 C ATOM 1204 C SER A 84 -6.944 -12.370 -7.860 1.00 0.00 C ATOM 1205 O SER A 84 -7.979 -11.887 -7.393 1.00 0.00 O ATOM 1206 CB SER A 84 -7.970 -13.325 -9.946 1.00 0.00 C ATOM 1207 OG SER A 84 -8.173 -14.500 -10.718 1.00 0.00 O ATOM 0 H SER A 84 -8.617 -14.605 -7.825 1.00 0.00 H new ATOM 0 HA SER A 84 -6.063 -13.859 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.930 -12.951 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.538 -12.545 -10.573 1.00 0.00 H new ATOM 0 HG SER A 84 -8.767 -14.298 -11.471 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.742 -11.896 -7.545 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.551 -10.845 -6.554 1.00 0.00 C ATOM 1215 C LEU A 85 -4.893 -9.641 -7.204 1.00 0.00 C ATOM 1216 O LEU A 85 -4.100 -9.795 -8.130 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.649 -11.356 -5.424 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.403 -11.913 -4.211 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -6.252 -13.144 -4.517 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.356 -12.265 -3.163 1.00 0.00 C ATOM 0 H LEU A 85 -4.876 -12.229 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.522 -10.560 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.998 -12.135 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.006 -10.541 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.105 -11.153 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.752 -13.476 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.998 -12.893 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.612 -13.943 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.848 -12.667 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.672 -13.011 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.797 -11.369 -2.892 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.117 -8.456 -6.650 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.441 -7.231 -7.057 1.00 0.00 C ATOM 1234 C ILE A 86 -3.898 -6.578 -5.789 1.00 0.00 C ATOM 1235 O ILE A 86 -4.622 -6.505 -4.782 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.384 -6.316 -7.853 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.135 -7.143 -8.925 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.598 -5.177 -8.505 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.823 -6.343 -10.024 1.00 0.00 C ATOM 0 H ILE A 86 -5.785 -8.317 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.614 -7.440 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.113 -5.879 -7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.426 -7.827 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.885 -7.754 -8.424 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.281 -4.538 -9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.102 -4.589 -7.733 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.851 -5.591 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.316 -7.025 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.564 -5.678 -9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.082 -5.752 -10.562 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.657 -6.091 -5.842 1.00 0.00 N ATOM 1252 CA ILE A 87 -2.008 -5.353 -4.771 1.00 0.00 C ATOM 1253 C ILE A 87 -1.413 -4.039 -5.295 1.00 0.00 C ATOM 1254 O ILE A 87 -1.070 -3.897 -6.472 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.990 -6.232 -3.995 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.221 -6.727 -4.825 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.703 -7.419 -3.316 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.400 -5.744 -4.816 1.00 0.00 C ATOM 0 H ILE A 87 -2.061 -6.206 -6.662 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.765 -5.077 -4.037 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.564 -5.570 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.554 -7.688 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.096 -6.895 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.972 -8.023 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.449 -7.043 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.192 -8.031 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.216 -6.149 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.081 -4.790 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.741 -5.595 -3.792 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.301 -3.061 -4.399 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.807 -1.714 -4.641 1.00 0.00 C ATOM 1272 C HIS A 88 0.721 -1.749 -4.469 1.00 0.00 C ATOM 1273 O HIS A 88 1.208 -1.876 -3.343 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.517 -0.783 -3.631 1.00 0.00 C ATOM 1275 CG HIS A 88 -2.389 0.320 -4.196 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -3.618 0.695 -3.695 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -2.121 1.135 -5.263 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -4.088 1.697 -4.457 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -3.203 2.013 -5.411 1.00 0.00 N ATOM 0 H HIS A 88 -1.570 -3.200 -3.425 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.017 -1.341 -5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.135 -1.401 -2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.754 -0.322 -3.004 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.235 1.106 -5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.044 2.179 -4.319 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.298 2.750 -6.110 1.00 0.00 H new ATOM 1287 N ARG A 89 1.478 -1.688 -5.569 1.00 0.00 N ATOM 1288 CA ARG A 89 2.935 -1.506 -5.611 1.00 0.00 C ATOM 1289 C ARG A 89 3.353 -0.980 -6.982 1.00 0.00 C ATOM 1290 O ARG A 89 4.084 0.012 -7.074 1.00 0.00 O ATOM 1291 CB ARG A 89 3.672 -2.814 -5.265 1.00 0.00 C ATOM 1292 CG ARG A 89 5.171 -2.752 -5.619 1.00 0.00 C ATOM 1293 CD ARG A 89 6.042 -3.636 -4.736 1.00 0.00 C ATOM 1294 NE ARG A 89 6.204 -3.022 -3.415 1.00 0.00 N ATOM 1295 CZ ARG A 89 5.826 -3.526 -2.242 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.436 -4.789 -2.114 1.00 0.00 N ATOM 1297 NH2 ARG A 89 5.821 -2.733 -1.184 1.00 0.00 N ATOM 0 H ARG A 89 1.072 -1.768 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 89 3.215 -0.771 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.561 -3.021 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.208 -3.642 -5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.303 -3.049 -6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.513 -1.720 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.588 -4.622 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.017 -3.780 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 89 6.656 -2.108 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.420 -5.403 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.152 -5.145 -1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.103 -1.757 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.535 -3.097 -0.275 1.00 0.00 H new