USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 14 LYS NZ :NH3+ -119:sc= -0.918 (180deg=-4.02!) USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 37:sc= -0.257 USER MOD Single : A 9 MET CE :methyl -150:sc= -0.0849 (180deg=-0.668) USER MOD Single : A 10 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 15 THR OG1 : rot -73:sc= 0.214 USER MOD Single : A 17 THR OG1 : rot -48:sc= 0.712 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 30 THR OG1 : rot 156:sc= 0.203 USER MOD Single : A 33 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.75) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= -0.0409 (180deg=-0.635) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.34 X(o=-2.3,f=-2) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.547 K(o=-0.55,f=-3.9!) USER MOD Single : A 49 GLN : amide:sc= -2.84 K(o=-2.8,f=-5.8) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 63 THR OG1 : rot 51:sc= 0.166 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 130:sc= -0.538 USER MOD Single : A 68 ASN : amide:sc=-4.4e-05 X(o=-4.4e-05,f=-4.4e-05) USER MOD Single : A 70 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 38:sc= 0.284 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.846 9.364 -16.229 1.00 0.00 N ATOM 100 CA SER A 8 -6.005 9.856 -15.492 1.00 0.00 C ATOM 101 C SER A 8 -6.562 11.121 -16.137 1.00 0.00 C ATOM 102 O SER A 8 -5.812 11.952 -16.648 1.00 0.00 O ATOM 103 CB SER A 8 -5.628 10.135 -14.036 1.00 0.00 C ATOM 104 OG SER A 8 -4.844 9.083 -13.501 1.00 0.00 O ATOM 0 HA SER A 8 -6.776 9.086 -15.519 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.075 11.072 -13.974 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.532 10.258 -13.440 1.00 0.00 H new ATOM 0 HG SER A 8 -4.238 8.743 -14.192 1.00 0.00 H new ATOM 110 N MET A 9 -7.883 11.260 -16.108 1.00 0.00 N ATOM 111 CA MET A 9 -8.542 12.424 -16.688 1.00 0.00 C ATOM 112 C MET A 9 -9.545 13.026 -15.709 1.00 0.00 C ATOM 113 O MET A 9 -10.001 12.354 -14.784 1.00 0.00 O ATOM 114 CB MET A 9 -9.249 12.041 -17.990 1.00 0.00 C ATOM 115 CG MET A 9 -10.529 11.250 -17.775 1.00 0.00 C ATOM 116 SD MET A 9 -10.517 9.663 -18.632 1.00 0.00 S ATOM 117 CE MET A 9 -10.240 10.193 -20.320 1.00 0.00 C ATOM 0 H MET A 9 -8.518 10.581 -15.689 1.00 0.00 H new ATOM 0 HA MET A 9 -7.779 13.172 -16.904 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.481 12.948 -18.548 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.567 11.454 -18.605 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.672 11.081 -16.708 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.378 11.839 -18.121 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.712 9.488 -21.005 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.671 11.184 -20.466 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.169 10.230 -20.519 1.00 0.00 H new ATOM 127 N GLN A 10 -9.882 14.294 -15.919 1.00 0.00 N ATOM 128 CA GLN A 10 -10.830 14.985 -15.053 1.00 0.00 C ATOM 129 C GLN A 10 -12.241 14.916 -15.626 1.00 0.00 C ATOM 130 O GLN A 10 -12.441 15.077 -16.831 1.00 0.00 O ATOM 131 CB GLN A 10 -10.413 16.445 -14.868 1.00 0.00 C ATOM 132 CG GLN A 10 -10.750 17.005 -13.495 1.00 0.00 C ATOM 133 CD GLN A 10 -10.020 18.300 -13.197 1.00 0.00 C ATOM 134 OE1 GLN A 10 -9.181 18.361 -12.298 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.336 19.345 -13.953 1.00 0.00 N ATOM 0 H GLN A 10 -9.513 14.864 -16.681 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.827 14.488 -14.083 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.339 16.531 -15.033 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.902 17.053 -15.629 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.825 17.175 -13.430 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.498 16.267 -12.734 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.037 19.250 -14.687 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.877 20.243 -13.799 1.00 0.00 H new ATOM 144 N ILE A 11 -13.217 14.676 -14.757 1.00 0.00 N ATOM 145 CA ILE A 11 -14.610 14.587 -15.177 1.00 0.00 C ATOM 146 C ILE A 11 -15.487 15.547 -14.381 1.00 0.00 C ATOM 147 O ILE A 11 -15.046 16.134 -13.393 1.00 0.00 O ATOM 148 CB ILE A 11 -15.156 13.156 -15.015 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.057 12.711 -13.554 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.399 12.194 -15.919 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.984 11.567 -13.207 1.00 0.00 C ATOM 0 H ILE A 11 -13.069 14.540 -13.757 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.640 14.862 -16.231 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.206 13.149 -15.308 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.030 12.413 -13.342 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.282 13.560 -12.908 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.797 11.187 -15.793 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.516 12.503 -16.958 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.342 12.202 -15.655 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.860 11.304 -12.156 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.016 11.868 -13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.744 10.703 -13.828 1.00 0.00 H new ATOM 163 N PHE A 12 -16.733 15.700 -14.817 1.00 0.00 N ATOM 164 CA PHE A 12 -17.674 16.589 -14.144 1.00 0.00 C ATOM 165 C PHE A 12 -18.793 15.793 -13.480 1.00 0.00 C ATOM 166 O PHE A 12 -19.439 14.958 -14.115 1.00 0.00 O ATOM 167 CB PHE A 12 -18.265 17.588 -15.140 1.00 0.00 C ATOM 168 CG PHE A 12 -17.232 18.440 -15.821 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.360 19.220 -15.078 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.132 18.459 -17.202 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.409 20.005 -15.702 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.182 19.242 -17.832 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.319 20.015 -17.080 1.00 0.00 C ATOM 0 H PHE A 12 -17.115 15.221 -15.632 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.132 17.134 -13.371 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.831 17.043 -15.896 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.971 18.234 -14.618 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.424 19.214 -14.000 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.804 17.855 -17.794 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.737 20.610 -15.112 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.115 19.249 -18.910 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.575 20.626 -17.569 1.00 0.00 H new ATOM 183 N VAL A 13 -19.018 16.056 -12.196 1.00 0.00 N ATOM 184 CA VAL A 13 -20.059 15.366 -11.445 1.00 0.00 C ATOM 185 C VAL A 13 -20.995 16.358 -10.765 1.00 0.00 C ATOM 186 O VAL A 13 -20.566 17.411 -10.292 1.00 0.00 O ATOM 187 CB VAL A 13 -19.456 14.432 -10.378 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.543 13.587 -9.732 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.377 13.552 -10.990 1.00 0.00 C ATOM 0 H VAL A 13 -18.493 16.742 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.624 14.770 -12.162 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.996 15.044 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.098 12.934 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.276 14.239 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.035 12.982 -10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.962 12.899 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.810 12.947 -11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.585 14.179 -11.400 1.00 0.00 H new ATOM 199 N LYS A 14 -22.278 16.016 -10.718 1.00 0.00 N ATOM 200 CA LYS A 14 -23.278 16.875 -10.094 1.00 0.00 C ATOM 201 C LYS A 14 -23.731 16.299 -8.756 1.00 0.00 C ATOM 202 O LYS A 14 -23.850 15.083 -8.599 1.00 0.00 O ATOM 203 CB LYS A 14 -24.483 17.047 -11.021 1.00 0.00 C ATOM 204 CG LYS A 14 -24.287 18.117 -12.081 1.00 0.00 C ATOM 205 CD LYS A 14 -23.226 17.714 -13.091 1.00 0.00 C ATOM 206 CE LYS A 14 -23.196 18.665 -14.278 1.00 0.00 C ATOM 207 NZ LYS A 14 -23.030 20.082 -13.849 1.00 0.00 N ATOM 0 H LYS A 14 -22.650 15.149 -11.105 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.823 17.849 -9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.693 16.096 -11.511 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.359 17.297 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.231 18.298 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.000 19.054 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.249 17.702 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.421 16.700 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.379 18.389 -14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -24.120 18.564 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.854 20.637 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.951 20.124 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.168 20.476 -14.278 1.00 0.00 H new ATOM 221 N THR A 15 -23.984 17.180 -7.793 1.00 0.00 N ATOM 222 CA THR A 15 -24.425 16.759 -6.469 1.00 0.00 C ATOM 223 C THR A 15 -25.925 16.967 -6.297 1.00 0.00 C ATOM 224 O THR A 15 -26.614 17.394 -7.225 1.00 0.00 O ATOM 225 CB THR A 15 -23.682 17.527 -5.359 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.908 18.934 -5.502 1.00 0.00 O ATOM 227 CG2 THR A 15 -22.189 17.240 -5.410 1.00 0.00 C ATOM 0 H THR A 15 -23.891 18.190 -7.905 1.00 0.00 H new ATOM 0 HA THR A 15 -24.196 15.697 -6.383 1.00 0.00 H new ATOM 0 HB THR A 15 -24.067 17.194 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.404 19.270 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.685 17.793 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 15 -22.019 16.172 -5.272 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.792 17.549 -6.377 1.00 0.00 H new ATOM 235 N LEU A 16 -26.427 16.663 -5.105 1.00 0.00 N ATOM 236 CA LEU A 16 -27.848 16.817 -4.811 1.00 0.00 C ATOM 237 C LEU A 16 -28.207 18.286 -4.617 1.00 0.00 C ATOM 238 O LEU A 16 -29.368 18.676 -4.750 1.00 0.00 O ATOM 239 CB LEU A 16 -28.219 16.019 -3.560 1.00 0.00 C ATOM 240 CG LEU A 16 -28.784 14.619 -3.800 1.00 0.00 C ATOM 241 CD1 LEU A 16 -29.035 13.911 -2.478 1.00 0.00 C ATOM 242 CD2 LEU A 16 -30.064 14.693 -4.619 1.00 0.00 C ATOM 0 H LEU A 16 -25.871 16.309 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.414 16.433 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.331 15.928 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.952 16.592 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 16 -28.049 14.043 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -29.437 12.916 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.098 13.824 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -29.750 14.484 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -30.452 13.687 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -30.805 15.286 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -29.854 15.159 -5.582 1.00 0.00 H new ATOM 254 N THR A 17 -27.204 19.099 -4.303 1.00 0.00 N ATOM 255 CA THR A 17 -27.413 20.526 -4.091 1.00 0.00 C ATOM 256 C THR A 17 -27.134 21.317 -5.364 1.00 0.00 C ATOM 257 O THR A 17 -26.722 22.475 -5.309 1.00 0.00 O ATOM 258 CB THR A 17 -26.518 21.064 -2.959 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.896 22.405 -2.630 1.00 0.00 O ATOM 260 CG2 THR A 17 -25.052 21.030 -3.366 1.00 0.00 C ATOM 0 H THR A 17 -26.237 18.793 -4.190 1.00 0.00 H new ATOM 0 HA THR A 17 -28.458 20.654 -3.808 1.00 0.00 H new ATOM 0 HB THR A 17 -26.652 20.425 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.975 22.933 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.439 21.415 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.759 20.003 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.906 21.648 -4.252 1.00 0.00 H new ATOM 268 N GLY A 18 -27.362 20.685 -6.511 1.00 0.00 N ATOM 269 CA GLY A 18 -27.130 21.346 -7.782 1.00 0.00 C ATOM 270 C GLY A 18 -25.743 21.950 -7.876 1.00 0.00 C ATOM 271 O GLY A 18 -25.534 22.938 -8.581 1.00 0.00 O ATOM 0 H GLY A 18 -27.703 19.727 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.266 20.629 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.875 22.130 -7.922 1.00 0.00 H new ATOM 275 N LYS A 19 -24.792 21.357 -7.164 1.00 0.00 N ATOM 276 CA LYS A 19 -23.416 21.841 -7.169 1.00 0.00 C ATOM 277 C LYS A 19 -22.511 20.902 -7.960 1.00 0.00 C ATOM 278 O LYS A 19 -22.481 19.696 -7.711 1.00 0.00 O ATOM 279 CB LYS A 19 -22.897 21.980 -5.736 1.00 0.00 C ATOM 280 CG LYS A 19 -21.438 22.394 -5.655 1.00 0.00 C ATOM 281 CD LYS A 19 -20.521 21.187 -5.548 1.00 0.00 C ATOM 282 CE LYS A 19 -20.247 20.822 -4.097 1.00 0.00 C ATOM 283 NZ LYS A 19 -19.211 21.703 -3.490 1.00 0.00 N ATOM 0 H LYS A 19 -24.948 20.539 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.404 22.819 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.504 22.715 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -23.026 21.030 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.174 22.975 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.290 23.042 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.975 20.338 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.580 21.398 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.170 20.898 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.920 19.784 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.053 21.422 -2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.322 21.612 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.534 22.691 -3.522 1.00 0.00 H new ATOM 297 N THR A 20 -21.774 21.462 -8.914 1.00 0.00 N ATOM 298 CA THR A 20 -20.868 20.675 -9.741 1.00 0.00 C ATOM 299 C THR A 20 -19.495 20.552 -9.089 1.00 0.00 C ATOM 300 O THR A 20 -18.854 21.556 -8.777 1.00 0.00 O ATOM 301 CB THR A 20 -20.705 21.295 -11.142 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.912 21.963 -11.525 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.363 20.226 -12.169 1.00 0.00 C ATOM 0 H THR A 20 -21.787 22.458 -9.133 1.00 0.00 H new ATOM 0 HA THR A 20 -21.310 19.684 -9.840 1.00 0.00 H new ATOM 0 HB THR A 20 -19.888 22.016 -11.104 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.800 22.356 -12.416 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.253 20.687 -13.151 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.429 19.739 -11.890 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.162 19.486 -12.203 1.00 0.00 H new ATOM 311 N ILE A 21 -19.050 19.317 -8.887 1.00 0.00 N ATOM 312 CA ILE A 21 -17.752 19.064 -8.274 1.00 0.00 C ATOM 313 C ILE A 21 -16.800 18.394 -9.260 1.00 0.00 C ATOM 314 O ILE A 21 -17.172 17.448 -9.954 1.00 0.00 O ATOM 315 CB ILE A 21 -17.884 18.177 -7.022 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.500 17.802 -6.488 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.691 16.928 -7.340 1.00 0.00 C ATOM 318 CD1 ILE A 21 -16.006 16.460 -6.979 1.00 0.00 C ATOM 0 H ILE A 21 -19.569 18.476 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.347 20.033 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.411 18.739 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.786 18.572 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.530 17.792 -5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.775 16.312 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.687 17.215 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.190 16.361 -8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.020 16.260 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.699 15.680 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.943 16.471 -8.067 1.00 0.00 H new ATOM 330 N THR A 22 -15.568 18.891 -9.314 1.00 0.00 N ATOM 331 CA THR A 22 -14.561 18.340 -10.213 1.00 0.00 C ATOM 332 C THR A 22 -13.891 17.114 -9.604 1.00 0.00 C ATOM 333 O THR A 22 -13.468 17.136 -8.447 1.00 0.00 O ATOM 334 CB THR A 22 -13.482 19.385 -10.554 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.090 20.661 -10.785 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.692 18.964 -11.784 1.00 0.00 C ATOM 0 H THR A 22 -15.244 19.674 -8.746 1.00 0.00 H new ATOM 0 HA THR A 22 -15.078 18.050 -11.128 1.00 0.00 H new ATOM 0 HB THR A 22 -12.798 19.458 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.397 21.320 -10.999 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.936 19.717 -12.006 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.206 18.007 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.367 18.866 -12.634 1.00 0.00 H new ATOM 344 N LEU A 23 -13.797 16.046 -10.388 1.00 0.00 N ATOM 345 CA LEU A 23 -13.176 14.810 -9.926 1.00 0.00 C ATOM 346 C LEU A 23 -12.217 14.257 -10.974 1.00 0.00 C ATOM 347 O LEU A 23 -12.326 14.576 -12.158 1.00 0.00 O ATOM 348 CB LEU A 23 -14.249 13.769 -9.600 1.00 0.00 C ATOM 349 CG LEU A 23 -13.935 12.823 -8.440 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.714 13.607 -7.156 1.00 0.00 C ATOM 351 CD2 LEU A 23 -15.056 11.808 -8.262 1.00 0.00 C ATOM 0 H LEU A 23 -14.143 16.011 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.608 15.033 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.178 14.292 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.429 13.170 -10.493 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.017 12.284 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.492 12.917 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.878 14.293 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.614 14.173 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.816 11.143 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.989 12.330 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.166 11.224 -9.175 1.00 0.00 H new ATOM 363 N GLU A 24 -11.280 13.425 -10.531 1.00 0.00 N ATOM 364 CA GLU A 24 -10.302 12.826 -11.433 1.00 0.00 C ATOM 365 C GLU A 24 -10.334 11.303 -11.337 1.00 0.00 C ATOM 366 O GLU A 24 -10.188 10.735 -10.255 1.00 0.00 O ATOM 367 CB GLU A 24 -8.897 13.339 -11.111 1.00 0.00 C ATOM 368 CG GLU A 24 -8.417 12.964 -9.719 1.00 0.00 C ATOM 369 CD GLU A 24 -7.166 13.718 -9.311 1.00 0.00 C ATOM 370 OE1 GLU A 24 -7.253 14.948 -9.115 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.101 13.078 -9.187 1.00 0.00 O ATOM 0 H GLU A 24 -11.177 13.150 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.561 13.114 -12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.197 12.943 -11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.884 14.424 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.210 13.166 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.219 11.893 -9.683 1.00 0.00 H new ATOM 378 N VAL A 25 -10.528 10.648 -12.477 1.00 0.00 N ATOM 379 CA VAL A 25 -10.579 9.192 -12.523 1.00 0.00 C ATOM 380 C VAL A 25 -9.966 8.661 -13.814 1.00 0.00 C ATOM 381 O VAL A 25 -10.086 9.281 -14.870 1.00 0.00 O ATOM 382 CB VAL A 25 -12.026 8.677 -12.405 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.903 9.295 -13.483 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.059 7.158 -12.485 1.00 0.00 C ATOM 0 H VAL A 25 -10.652 11.103 -13.381 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.001 8.828 -11.673 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.421 8.976 -11.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.921 8.919 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.904 10.380 -13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.513 9.030 -14.466 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.089 6.811 -12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.645 6.835 -13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.467 6.738 -11.672 1.00 0.00 H new ATOM 394 N GLU A 26 -9.309 7.509 -13.721 1.00 0.00 N ATOM 395 CA GLU A 26 -8.677 6.894 -14.883 1.00 0.00 C ATOM 396 C GLU A 26 -9.718 6.234 -15.782 1.00 0.00 C ATOM 397 O GLU A 26 -10.790 5.823 -15.337 1.00 0.00 O ATOM 398 CB GLU A 26 -7.640 5.860 -14.440 1.00 0.00 C ATOM 399 CG GLU A 26 -6.758 6.334 -13.297 1.00 0.00 C ATOM 400 CD GLU A 26 -5.589 5.404 -13.038 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.097 4.786 -14.005 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.165 5.296 -11.868 1.00 0.00 O ATOM 0 H GLU A 26 -9.200 6.983 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.177 7.679 -15.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.155 4.948 -14.137 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.010 5.602 -15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.381 7.331 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.358 6.418 -12.391 1.00 0.00 H new ATOM 409 N PRO A 27 -9.397 6.130 -17.081 1.00 0.00 N ATOM 410 CA PRO A 27 -10.289 5.521 -18.071 1.00 0.00 C ATOM 411 C PRO A 27 -10.422 4.013 -17.882 1.00 0.00 C ATOM 412 O PRO A 27 -11.411 3.411 -18.298 1.00 0.00 O ATOM 413 CB PRO A 27 -9.607 5.834 -19.404 1.00 0.00 C ATOM 414 CG PRO A 27 -8.167 6.004 -19.062 1.00 0.00 C ATOM 415 CD PRO A 27 -8.136 6.598 -17.681 1.00 0.00 C ATOM 0 HA PRO A 27 -11.305 5.908 -17.996 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.751 5.026 -20.122 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.016 6.738 -19.855 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.645 5.048 -19.087 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.670 6.658 -19.779 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.270 6.255 -17.115 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.085 7.686 -17.713 1.00 0.00 H new ATOM 423 N SER A 28 -9.419 3.410 -17.251 1.00 0.00 N ATOM 424 CA SER A 28 -9.423 1.972 -17.010 1.00 0.00 C ATOM 425 C SER A 28 -9.926 1.658 -15.605 1.00 0.00 C ATOM 426 O SER A 28 -10.257 0.514 -15.293 1.00 0.00 O ATOM 427 CB SER A 28 -8.018 1.398 -17.202 1.00 0.00 C ATOM 428 OG SER A 28 -7.026 2.363 -16.894 1.00 0.00 O ATOM 0 H SER A 28 -8.594 3.895 -16.898 1.00 0.00 H new ATOM 0 HA SER A 28 -10.098 1.509 -17.730 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.889 0.523 -16.565 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.896 1.063 -18.232 1.00 0.00 H new ATOM 0 HG SER A 28 -6.137 1.971 -17.023 1.00 0.00 H new ATOM 434 N ASP A 29 -9.980 2.682 -14.760 1.00 0.00 N ATOM 435 CA ASP A 29 -10.443 2.517 -13.387 1.00 0.00 C ATOM 436 C ASP A 29 -11.927 2.167 -13.353 1.00 0.00 C ATOM 437 O ASP A 29 -12.631 2.297 -14.355 1.00 0.00 O ATOM 438 CB ASP A 29 -10.189 3.794 -12.584 1.00 0.00 C ATOM 439 CG ASP A 29 -8.797 3.833 -11.985 1.00 0.00 C ATOM 440 OD1 ASP A 29 -8.001 2.915 -12.272 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.503 4.783 -11.228 1.00 0.00 O ATOM 0 H ASP A 29 -9.709 3.635 -15.002 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.884 1.697 -12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.328 4.660 -13.231 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.927 3.871 -11.786 1.00 0.00 H new ATOM 446 N THR A 30 -12.398 1.721 -12.192 1.00 0.00 N ATOM 447 CA THR A 30 -13.798 1.349 -12.027 1.00 0.00 C ATOM 448 C THR A 30 -14.548 2.386 -11.199 1.00 0.00 C ATOM 449 O THR A 30 -13.945 3.307 -10.646 1.00 0.00 O ATOM 450 CB THR A 30 -13.938 -0.029 -11.354 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.238 -0.036 -10.104 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.393 -1.128 -12.252 1.00 0.00 C ATOM 0 H THR A 30 -11.830 1.609 -11.352 1.00 0.00 H new ATOM 0 HA THR A 30 -14.233 1.302 -13.026 1.00 0.00 H new ATOM 0 HB THR A 30 -14.997 -0.218 -11.179 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.620 -0.723 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.503 -2.092 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.947 -1.139 -13.191 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.338 -0.943 -12.455 1.00 0.00 H new ATOM 460 N ILE A 31 -15.865 2.230 -11.116 1.00 0.00 N ATOM 461 CA ILE A 31 -16.696 3.153 -10.353 1.00 0.00 C ATOM 462 C ILE A 31 -16.174 3.314 -8.929 1.00 0.00 C ATOM 463 O ILE A 31 -16.328 4.370 -8.317 1.00 0.00 O ATOM 464 CB ILE A 31 -18.161 2.679 -10.300 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.693 2.439 -11.714 1.00 0.00 C ATOM 466 CG2 ILE A 31 -19.021 3.698 -9.569 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.597 3.654 -12.610 1.00 0.00 C ATOM 0 H ILE A 31 -16.379 1.474 -11.567 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.652 4.114 -10.865 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.204 1.738 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.138 1.618 -12.168 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.735 2.124 -11.653 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.053 3.349 -9.540 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.651 3.823 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.976 4.654 -10.091 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.992 3.411 -13.596 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.176 4.471 -12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.554 3.957 -12.702 1.00 0.00 H new ATOM 479 N GLU A 32 -15.554 2.259 -8.409 1.00 0.00 N ATOM 480 CA GLU A 32 -15.008 2.285 -7.057 1.00 0.00 C ATOM 481 C GLU A 32 -13.926 3.353 -6.928 1.00 0.00 C ATOM 482 O GLU A 32 -13.933 4.148 -5.988 1.00 0.00 O ATOM 483 CB GLU A 32 -14.433 0.915 -6.689 1.00 0.00 C ATOM 484 CG GLU A 32 -15.428 -0.223 -6.843 1.00 0.00 C ATOM 485 CD GLU A 32 -14.982 -1.487 -6.134 1.00 0.00 C ATOM 486 OE1 GLU A 32 -13.857 -1.956 -6.408 1.00 0.00 O ATOM 487 OE2 GLU A 32 -15.758 -2.008 -5.305 1.00 0.00 O ATOM 0 H GLU A 32 -15.417 1.377 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.819 2.528 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.564 0.714 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.082 0.943 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.395 0.089 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.570 -0.436 -7.903 1.00 0.00 H new ATOM 494 N ASN A 33 -12.997 3.365 -7.878 1.00 0.00 N ATOM 495 CA ASN A 33 -11.908 4.335 -7.871 1.00 0.00 C ATOM 496 C ASN A 33 -12.449 5.761 -7.845 1.00 0.00 C ATOM 497 O ASN A 33 -11.812 6.669 -7.312 1.00 0.00 O ATOM 498 CB ASN A 33 -11.014 4.139 -9.097 1.00 0.00 C ATOM 499 CG ASN A 33 -9.567 3.881 -8.723 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.814 4.811 -8.435 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.173 2.613 -8.725 1.00 0.00 N ATOM 0 H ASN A 33 -12.976 2.714 -8.663 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.317 4.173 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.389 3.302 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.070 5.025 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.211 2.377 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.832 1.874 -8.971 1.00 0.00 H new ATOM 508 N VAL A 34 -13.631 5.950 -8.424 1.00 0.00 N ATOM 509 CA VAL A 34 -14.259 7.265 -8.467 1.00 0.00 C ATOM 510 C VAL A 34 -14.696 7.711 -7.075 1.00 0.00 C ATOM 511 O VAL A 34 -14.450 8.847 -6.670 1.00 0.00 O ATOM 512 CB VAL A 34 -15.482 7.272 -9.403 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.057 8.676 -9.520 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.108 6.724 -10.772 1.00 0.00 C ATOM 0 H VAL A 34 -14.172 5.209 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.512 7.960 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.249 6.626 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.920 8.661 -10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.364 9.027 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.299 9.347 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.984 6.736 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.324 7.342 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.748 5.701 -10.668 1.00 0.00 H new ATOM 524 N LYS A 35 -15.344 6.808 -6.347 1.00 0.00 N ATOM 525 CA LYS A 35 -15.814 7.106 -5.000 1.00 0.00 C ATOM 526 C LYS A 35 -14.648 7.465 -4.084 1.00 0.00 C ATOM 527 O LYS A 35 -14.814 8.201 -3.112 1.00 0.00 O ATOM 528 CB LYS A 35 -16.576 5.908 -4.427 1.00 0.00 C ATOM 529 CG LYS A 35 -17.701 5.419 -5.323 1.00 0.00 C ATOM 530 CD LYS A 35 -18.393 4.201 -4.733 1.00 0.00 C ATOM 531 CE LYS A 35 -19.241 3.485 -5.773 1.00 0.00 C ATOM 532 NZ LYS A 35 -18.554 2.279 -6.314 1.00 0.00 N ATOM 0 H LYS A 35 -15.556 5.863 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.485 7.963 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.876 5.090 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.989 6.181 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.428 6.219 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.303 5.172 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.646 3.514 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.022 4.508 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.192 3.192 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.469 4.170 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.254 1.651 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.850 2.569 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.078 1.774 -5.540 1.00 0.00 H new ATOM 546 N ALA A 36 -13.469 6.941 -4.402 1.00 0.00 N ATOM 547 CA ALA A 36 -12.275 7.210 -3.609 1.00 0.00 C ATOM 548 C ALA A 36 -12.049 8.709 -3.448 1.00 0.00 C ATOM 549 O ALA A 36 -11.778 9.192 -2.348 1.00 0.00 O ATOM 550 CB ALA A 36 -11.059 6.557 -4.249 1.00 0.00 C ATOM 0 H ALA A 36 -13.315 6.328 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.424 6.783 -2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.175 6.766 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.213 5.479 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.917 6.957 -5.253 1.00 0.00 H new ATOM 556 N LYS A 37 -12.162 9.442 -4.550 1.00 0.00 N ATOM 557 CA LYS A 37 -11.971 10.887 -4.532 1.00 0.00 C ATOM 558 C LYS A 37 -13.189 11.590 -3.940 1.00 0.00 C ATOM 559 O LYS A 37 -13.071 12.661 -3.345 1.00 0.00 O ATOM 560 CB LYS A 37 -11.707 11.406 -5.947 1.00 0.00 C ATOM 561 CG LYS A 37 -10.380 10.947 -6.526 1.00 0.00 C ATOM 562 CD LYS A 37 -10.511 9.602 -7.222 1.00 0.00 C ATOM 563 CE LYS A 37 -9.227 9.222 -7.945 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.246 8.576 -7.030 1.00 0.00 N ATOM 0 H LYS A 37 -12.385 9.058 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.107 11.106 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.513 11.076 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.731 12.496 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.014 11.690 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.640 10.875 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.758 8.834 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.334 9.639 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.460 8.543 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.781 10.114 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.385 8.332 -7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.004 9.233 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.662 7.711 -6.629 1.00 0.00 H new ATOM 578 N ILE A 38 -14.357 10.979 -4.108 1.00 0.00 N ATOM 579 CA ILE A 38 -15.596 11.545 -3.588 1.00 0.00 C ATOM 580 C ILE A 38 -15.513 11.756 -2.080 1.00 0.00 C ATOM 581 O ILE A 38 -16.037 12.736 -1.551 1.00 0.00 O ATOM 582 CB ILE A 38 -16.803 10.643 -3.903 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.045 10.587 -5.413 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.044 11.146 -3.181 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.358 11.935 -6.025 1.00 0.00 C ATOM 0 H ILE A 38 -14.471 10.093 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.734 12.508 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.586 9.635 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.162 10.172 -5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.870 9.905 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.889 10.498 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.867 11.139 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.267 12.162 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.518 11.820 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.258 12.343 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.523 12.615 -5.854 1.00 0.00 H new ATOM 597 N GLN A 39 -14.851 10.830 -1.394 1.00 0.00 N ATOM 598 CA GLN A 39 -14.699 10.915 0.054 1.00 0.00 C ATOM 599 C GLN A 39 -14.082 12.250 0.459 1.00 0.00 C ATOM 600 O GLN A 39 -14.391 12.791 1.521 1.00 0.00 O ATOM 601 CB GLN A 39 -13.832 9.764 0.566 1.00 0.00 C ATOM 602 CG GLN A 39 -14.621 8.504 0.886 1.00 0.00 C ATOM 603 CD GLN A 39 -14.989 7.715 -0.355 1.00 0.00 C ATOM 604 OE1 GLN A 39 -16.092 7.849 -0.886 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.064 6.886 -0.826 1.00 0.00 N ATOM 0 H GLN A 39 -14.411 10.013 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.690 10.842 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.076 9.529 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.303 10.089 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.034 7.872 1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.530 8.776 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.163 6.806 -0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.255 6.329 -1.659 1.00 0.00 H new ATOM 614 N ASP A 40 -13.210 12.776 -0.394 1.00 0.00 N ATOM 615 CA ASP A 40 -12.550 14.049 -0.125 1.00 0.00 C ATOM 616 C ASP A 40 -13.491 15.217 -0.401 1.00 0.00 C ATOM 617 O ASP A 40 -13.307 16.315 0.127 1.00 0.00 O ATOM 618 CB ASP A 40 -11.288 14.183 -0.978 1.00 0.00 C ATOM 619 CG ASP A 40 -10.286 15.152 -0.381 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.454 15.528 0.798 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.335 15.534 -1.093 1.00 0.00 O ATOM 0 H ASP A 40 -12.944 12.341 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.271 14.071 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.821 13.204 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.563 14.519 -1.978 1.00 0.00 H new ATOM 626 N LYS A 41 -14.500 14.975 -1.231 1.00 0.00 N ATOM 627 CA LYS A 41 -15.471 16.006 -1.578 1.00 0.00 C ATOM 628 C LYS A 41 -16.575 16.089 -0.529 1.00 0.00 C ATOM 629 O LYS A 41 -16.897 17.170 -0.037 1.00 0.00 O ATOM 630 CB LYS A 41 -16.079 15.722 -2.953 1.00 0.00 C ATOM 631 CG LYS A 41 -15.063 15.265 -3.985 1.00 0.00 C ATOM 632 CD LYS A 41 -14.057 16.359 -4.299 1.00 0.00 C ATOM 633 CE LYS A 41 -12.831 15.803 -5.007 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.595 16.550 -4.645 1.00 0.00 N ATOM 0 H LYS A 41 -14.667 14.073 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.951 16.963 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.849 14.957 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.573 16.624 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.540 14.383 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.579 14.970 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.527 17.118 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.753 16.851 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.708 14.751 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.982 15.851 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.782 16.141 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.702 17.549 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.437 16.483 -3.619 1.00 0.00 H new ATOM 648 N GLU A 42 -17.150 14.939 -0.189 1.00 0.00 N ATOM 649 CA GLU A 42 -18.217 14.882 0.802 1.00 0.00 C ATOM 650 C GLU A 42 -17.832 13.973 1.965 1.00 0.00 C ATOM 651 O GLU A 42 -18.176 14.239 3.116 1.00 0.00 O ATOM 652 CB GLU A 42 -19.514 14.386 0.160 1.00 0.00 C ATOM 653 CG GLU A 42 -20.189 15.419 -0.726 1.00 0.00 C ATOM 654 CD GLU A 42 -20.595 16.666 0.035 1.00 0.00 C ATOM 655 OE1 GLU A 42 -19.733 17.546 0.236 1.00 0.00 O ATOM 656 OE2 GLU A 42 -21.776 16.760 0.431 1.00 0.00 O ATOM 0 H GLU A 42 -16.894 14.035 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.373 15.889 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.299 13.497 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.207 14.086 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.513 15.696 -1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.072 14.976 -1.187 1.00 0.00 H new ATOM 663 N GLY A 43 -17.115 12.897 1.655 1.00 0.00 N ATOM 664 CA GLY A 43 -16.695 11.963 2.684 1.00 0.00 C ATOM 665 C GLY A 43 -17.821 11.057 3.139 1.00 0.00 C ATOM 666 O GLY A 43 -18.226 11.094 4.302 1.00 0.00 O ATOM 0 H GLY A 43 -16.817 12.655 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.874 11.355 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.311 12.518 3.540 1.00 0.00 H new ATOM 670 N ILE A 44 -18.330 10.242 2.222 1.00 0.00 N ATOM 671 CA ILE A 44 -19.417 9.322 2.535 1.00 0.00 C ATOM 672 C ILE A 44 -19.043 7.887 2.181 1.00 0.00 C ATOM 673 O ILE A 44 -18.239 7.632 1.284 1.00 0.00 O ATOM 674 CB ILE A 44 -20.709 9.703 1.790 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.414 9.960 0.310 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.348 10.927 2.428 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.594 9.692 -0.597 1.00 0.00 C ATOM 0 H ILE A 44 -18.007 10.200 1.255 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.592 9.394 3.608 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.410 8.872 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -20.098 10.996 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.578 9.333 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.260 11.183 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.589 10.711 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.653 11.765 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.312 9.895 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -21.897 8.649 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.425 10.338 -0.314 1.00 0.00 H new ATOM 689 N PRO A 45 -19.640 6.925 2.900 1.00 0.00 N ATOM 690 CA PRO A 45 -19.387 5.498 2.678 1.00 0.00 C ATOM 691 C PRO A 45 -19.966 5.006 1.356 1.00 0.00 C ATOM 692 O PRO A 45 -20.781 5.675 0.720 1.00 0.00 O ATOM 693 CB PRO A 45 -20.096 4.825 3.856 1.00 0.00 C ATOM 694 CG PRO A 45 -21.163 5.785 4.254 1.00 0.00 C ATOM 695 CD PRO A 45 -20.609 7.156 3.984 1.00 0.00 C ATOM 0 HA PRO A 45 -18.321 5.277 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.517 3.862 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.406 4.637 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.075 5.613 3.683 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.420 5.668 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.391 7.853 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.130 7.577 4.868 1.00 0.00 H new ATOM 703 N PRO A 46 -19.537 3.808 0.931 1.00 0.00 N ATOM 704 CA PRO A 46 -20.001 3.199 -0.319 1.00 0.00 C ATOM 705 C PRO A 46 -21.459 2.759 -0.244 1.00 0.00 C ATOM 706 O PRO A 46 -22.119 2.588 -1.269 1.00 0.00 O ATOM 707 CB PRO A 46 -19.084 1.985 -0.484 1.00 0.00 C ATOM 708 CG PRO A 46 -18.648 1.648 0.901 1.00 0.00 C ATOM 709 CD PRO A 46 -18.566 2.956 1.638 1.00 0.00 C ATOM 0 HA PRO A 46 -19.959 3.899 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.611 1.151 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.231 2.217 -1.122 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.358 0.974 1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.682 1.142 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -18.824 2.841 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.561 3.376 1.600 1.00 0.00 H new ATOM 717 N ASP A 47 -21.955 2.578 0.975 1.00 0.00 N ATOM 718 CA ASP A 47 -23.336 2.160 1.184 1.00 0.00 C ATOM 719 C ASP A 47 -24.308 3.234 0.706 1.00 0.00 C ATOM 720 O ASP A 47 -25.428 2.932 0.297 1.00 0.00 O ATOM 721 CB ASP A 47 -23.580 1.854 2.663 1.00 0.00 C ATOM 722 CG ASP A 47 -23.156 0.449 3.042 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.432 -0.484 2.260 1.00 0.00 O ATOM 724 OD2 ASP A 47 -22.548 0.283 4.121 1.00 0.00 O ATOM 0 H ASP A 47 -21.421 2.714 1.833 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.508 1.255 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.034 2.572 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.639 1.984 2.888 1.00 0.00 H new ATOM 729 N GLN A 48 -23.870 4.488 0.764 1.00 0.00 N ATOM 730 CA GLN A 48 -24.703 5.607 0.338 1.00 0.00 C ATOM 731 C GLN A 48 -24.217 6.172 -0.993 1.00 0.00 C ATOM 732 O GLN A 48 -24.986 6.782 -1.735 1.00 0.00 O ATOM 733 CB GLN A 48 -24.701 6.705 1.403 1.00 0.00 C ATOM 734 CG GLN A 48 -25.181 6.232 2.766 1.00 0.00 C ATOM 735 CD GLN A 48 -24.832 7.203 3.877 1.00 0.00 C ATOM 736 OE1 GLN A 48 -23.670 7.570 4.055 1.00 0.00 O ATOM 737 NE2 GLN A 48 -25.840 7.626 4.631 1.00 0.00 N ATOM 0 H GLN A 48 -22.945 4.754 1.101 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.721 5.240 0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.691 7.103 1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.336 7.525 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.262 6.091 2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.739 5.260 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.788 7.296 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.667 8.281 5.393 1.00 0.00 H new ATOM 746 N GLN A 49 -22.938 5.964 -1.286 1.00 0.00 N ATOM 747 CA GLN A 49 -22.350 6.454 -2.528 1.00 0.00 C ATOM 748 C GLN A 49 -22.862 5.658 -3.723 1.00 0.00 C ATOM 749 O GLN A 49 -22.780 4.430 -3.745 1.00 0.00 O ATOM 750 CB GLN A 49 -20.824 6.373 -2.461 1.00 0.00 C ATOM 751 CG GLN A 49 -20.122 7.425 -3.304 1.00 0.00 C ATOM 752 CD GLN A 49 -20.667 7.500 -4.717 1.00 0.00 C ATOM 753 OE1 GLN A 49 -20.724 6.495 -5.427 1.00 0.00 O ATOM 754 NE2 GLN A 49 -21.070 8.694 -5.134 1.00 0.00 N ATOM 0 H GLN A 49 -22.289 5.460 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.646 7.495 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.508 6.480 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.506 5.384 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.228 8.399 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.056 7.203 -3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.005 9.500 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.445 8.805 -6.076 1.00 0.00 H new ATOM 763 N ARG A 50 -23.391 6.365 -4.717 1.00 0.00 N ATOM 764 CA ARG A 50 -23.917 5.724 -5.916 1.00 0.00 C ATOM 765 C ARG A 50 -23.831 6.662 -7.116 1.00 0.00 C ATOM 766 O ARG A 50 -24.394 7.758 -7.104 1.00 0.00 O ATOM 767 CB ARG A 50 -25.369 5.294 -5.694 1.00 0.00 C ATOM 768 CG ARG A 50 -25.506 3.921 -5.058 1.00 0.00 C ATOM 769 CD ARG A 50 -26.943 3.425 -5.109 1.00 0.00 C ATOM 770 NE ARG A 50 -27.234 2.478 -4.035 1.00 0.00 N ATOM 771 CZ ARG A 50 -27.477 2.842 -2.781 1.00 0.00 C ATOM 772 NH1 ARG A 50 -27.464 4.125 -2.445 1.00 0.00 N ATOM 773 NH2 ARG A 50 -27.733 1.922 -1.860 1.00 0.00 N ATOM 0 H ARG A 50 -23.466 7.382 -4.715 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.311 4.842 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -25.864 6.030 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.890 5.295 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.857 3.213 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -25.171 3.964 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -27.622 4.274 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -27.128 2.949 -6.072 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.251 1.483 -4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.267 4.835 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -27.651 4.402 -1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -27.743 0.934 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.919 2.202 -0.897 1.00 0.00 H new ATOM 787 N LEU A 51 -23.123 6.225 -8.152 1.00 0.00 N ATOM 788 CA LEU A 51 -22.962 7.026 -9.361 1.00 0.00 C ATOM 789 C LEU A 51 -24.002 6.643 -10.409 1.00 0.00 C ATOM 790 O LEU A 51 -24.321 5.466 -10.580 1.00 0.00 O ATOM 791 CB LEU A 51 -21.555 6.845 -9.932 1.00 0.00 C ATOM 792 CG LEU A 51 -20.410 7.408 -9.089 1.00 0.00 C ATOM 793 CD1 LEU A 51 -19.083 7.243 -9.813 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.662 8.872 -8.758 1.00 0.00 C ATOM 0 H LEU A 51 -22.651 5.321 -8.179 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.108 8.073 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.380 5.780 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.521 7.315 -10.915 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.362 6.848 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.280 7.649 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.899 6.185 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -19.118 7.777 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.837 9.256 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.737 9.446 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -21.592 8.963 -8.197 1.00 0.00 H new ATOM 806 N ILE A 52 -24.525 7.644 -11.109 1.00 0.00 N ATOM 807 CA ILE A 52 -25.526 7.412 -12.143 1.00 0.00 C ATOM 808 C ILE A 52 -25.045 7.921 -13.497 1.00 0.00 C ATOM 809 O ILE A 52 -24.331 8.920 -13.580 1.00 0.00 O ATOM 810 CB ILE A 52 -26.862 8.095 -11.796 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.232 7.828 -10.335 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.963 7.607 -12.725 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.431 6.361 -10.021 1.00 0.00 C ATOM 0 H ILE A 52 -24.272 8.624 -10.979 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.681 6.334 -12.196 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.750 9.171 -11.932 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.448 8.226 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.147 8.370 -10.095 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.901 8.099 -12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.701 7.844 -13.756 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.078 6.528 -12.618 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.691 6.246 -8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.236 5.962 -10.639 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.510 5.816 -10.229 1.00 0.00 H new ATOM 825 N PHE A 53 -25.443 7.227 -14.559 1.00 0.00 N ATOM 826 CA PHE A 53 -25.053 7.608 -15.911 1.00 0.00 C ATOM 827 C PHE A 53 -26.202 7.386 -16.891 1.00 0.00 C ATOM 828 O PHE A 53 -26.602 6.251 -17.149 1.00 0.00 O ATOM 829 CB PHE A 53 -23.827 6.808 -16.356 1.00 0.00 C ATOM 830 CG PHE A 53 -23.250 7.272 -17.663 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.334 8.311 -17.701 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.624 6.670 -18.854 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.803 8.741 -18.902 1.00 0.00 C ATOM 834 CE2 PHE A 53 -23.095 7.095 -20.058 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.183 8.132 -20.082 1.00 0.00 C ATOM 0 H PHE A 53 -26.035 6.398 -14.509 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.803 8.669 -15.905 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.060 6.876 -15.585 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.101 5.756 -16.442 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.032 8.790 -16.782 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.337 5.859 -18.841 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.091 9.553 -18.918 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.394 6.617 -20.979 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.768 8.466 -21.021 1.00 0.00 H new ATOM 845 N ALA A 54 -26.729 8.479 -17.433 1.00 0.00 N ATOM 846 CA ALA A 54 -27.830 8.406 -18.385 1.00 0.00 C ATOM 847 C ALA A 54 -29.042 7.715 -17.769 1.00 0.00 C ATOM 848 O ALA A 54 -29.695 6.894 -18.413 1.00 0.00 O ATOM 849 CB ALA A 54 -27.390 7.678 -19.646 1.00 0.00 C ATOM 0 H ALA A 54 -26.411 9.426 -17.229 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.119 9.424 -18.648 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.222 7.631 -20.348 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.559 8.214 -20.104 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -27.073 6.667 -19.391 1.00 0.00 H new ATOM 855 N GLY A 55 -29.339 8.053 -16.518 1.00 0.00 N ATOM 856 CA GLY A 55 -30.472 7.455 -15.836 1.00 0.00 C ATOM 857 C GLY A 55 -30.260 5.984 -15.540 1.00 0.00 C ATOM 858 O GLY A 55 -31.219 5.238 -15.343 1.00 0.00 O ATOM 0 H GLY A 55 -28.815 8.731 -15.964 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.653 7.988 -14.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.365 7.574 -16.449 1.00 0.00 H new ATOM 862 N LYS A 56 -29.000 5.564 -15.509 1.00 0.00 N ATOM 863 CA LYS A 56 -28.663 4.172 -15.236 1.00 0.00 C ATOM 864 C LYS A 56 -27.507 4.076 -14.246 1.00 0.00 C ATOM 865 O LYS A 56 -26.449 4.669 -14.455 1.00 0.00 O ATOM 866 CB LYS A 56 -28.298 3.449 -16.534 1.00 0.00 C ATOM 867 CG LYS A 56 -28.754 2.001 -16.574 1.00 0.00 C ATOM 868 CD LYS A 56 -28.421 1.348 -17.904 1.00 0.00 C ATOM 869 CE LYS A 56 -26.929 1.083 -18.038 1.00 0.00 C ATOM 870 NZ LYS A 56 -26.559 0.682 -19.423 1.00 0.00 N ATOM 0 H LYS A 56 -28.194 6.169 -15.670 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.537 3.693 -14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.741 3.984 -17.374 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.217 3.484 -16.668 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.277 1.446 -15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.829 1.952 -16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.968 0.410 -17.997 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -28.752 1.992 -18.719 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -26.375 1.979 -17.759 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -26.636 0.297 -17.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -25.534 0.511 -19.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -27.068 -0.187 -19.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -26.815 1.442 -20.085 1.00 0.00 H new ATOM 884 N GLN A 57 -27.716 3.325 -13.169 1.00 0.00 N ATOM 885 CA GLN A 57 -26.690 3.152 -12.148 1.00 0.00 C ATOM 886 C GLN A 57 -25.430 2.530 -12.742 1.00 0.00 C ATOM 887 O GLN A 57 -25.478 1.887 -13.792 1.00 0.00 O ATOM 888 CB GLN A 57 -27.216 2.277 -11.009 1.00 0.00 C ATOM 889 CG GLN A 57 -27.360 0.811 -11.385 1.00 0.00 C ATOM 890 CD GLN A 57 -27.801 -0.050 -10.217 1.00 0.00 C ATOM 891 OE1 GLN A 57 -28.562 0.393 -9.357 1.00 0.00 O ATOM 892 NE2 GLN A 57 -27.323 -1.288 -10.181 1.00 0.00 N ATOM 0 H GLN A 57 -28.586 2.827 -12.981 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.437 4.136 -11.754 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.542 2.360 -10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.185 2.658 -10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.084 0.717 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -26.407 0.442 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -26.695 -1.614 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -27.584 -1.914 -9.419 1.00 0.00 H new ATOM 901 N LEU A 58 -24.304 2.726 -12.065 1.00 0.00 N ATOM 902 CA LEU A 58 -23.030 2.185 -12.526 1.00 0.00 C ATOM 903 C LEU A 58 -22.622 0.972 -11.696 1.00 0.00 C ATOM 904 O LEU A 58 -23.141 0.754 -10.602 1.00 0.00 O ATOM 905 CB LEU A 58 -21.941 3.257 -12.453 1.00 0.00 C ATOM 906 CG LEU A 58 -22.294 4.614 -13.063 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.136 5.588 -12.905 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.665 4.459 -14.531 1.00 0.00 C ATOM 0 H LEU A 58 -24.247 3.255 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.151 1.870 -13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.678 3.409 -11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.050 2.877 -12.953 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.156 5.016 -12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.406 6.548 -13.345 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.916 5.723 -11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.256 5.192 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.913 5.435 -14.949 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.822 4.035 -15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.526 3.796 -14.621 1.00 0.00 H new ATOM 920 N GLU A 59 -21.687 0.188 -12.224 1.00 0.00 N ATOM 921 CA GLU A 59 -21.208 -1.002 -11.531 1.00 0.00 C ATOM 922 C GLU A 59 -19.686 -0.995 -11.426 1.00 0.00 C ATOM 923 O GLU A 59 -18.995 -0.474 -12.301 1.00 0.00 O ATOM 924 CB GLU A 59 -21.674 -2.265 -12.258 1.00 0.00 C ATOM 925 CG GLU A 59 -23.185 -2.378 -12.374 1.00 0.00 C ATOM 926 CD GLU A 59 -23.654 -3.813 -12.516 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.169 -4.674 -11.752 1.00 0.00 O ATOM 928 OE2 GLU A 59 -24.506 -4.075 -13.390 1.00 0.00 O ATOM 0 H GLU A 59 -21.247 0.356 -13.129 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.624 -0.997 -10.524 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.239 -2.280 -13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.292 -3.139 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.647 -1.934 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.523 -1.802 -13.235 1.00 0.00 H new ATOM 935 N ASP A 60 -19.171 -1.577 -10.348 1.00 0.00 N ATOM 936 CA ASP A 60 -17.731 -1.639 -10.128 1.00 0.00 C ATOM 937 C ASP A 60 -17.061 -2.543 -11.158 1.00 0.00 C ATOM 938 O ASP A 60 -15.984 -2.234 -11.664 1.00 0.00 O ATOM 939 CB ASP A 60 -17.431 -2.144 -8.716 1.00 0.00 C ATOM 940 CG ASP A 60 -16.063 -2.791 -8.611 1.00 0.00 C ATOM 941 OD1 ASP A 60 -15.107 -2.256 -9.210 1.00 0.00 O ATOM 942 OD2 ASP A 60 -15.950 -3.832 -7.930 1.00 0.00 O ATOM 0 H ASP A 60 -19.729 -2.012 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.328 -0.632 -10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.491 -1.311 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.194 -2.864 -8.421 1.00 0.00 H new ATOM 947 N GLY A 61 -17.708 -3.664 -11.463 1.00 0.00 N ATOM 948 CA GLY A 61 -17.161 -4.597 -12.431 1.00 0.00 C ATOM 949 C GLY A 61 -16.791 -3.926 -13.739 1.00 0.00 C ATOM 950 O GLY A 61 -15.917 -4.402 -14.463 1.00 0.00 O ATOM 0 H GLY A 61 -18.601 -3.943 -11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.277 -5.076 -12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.890 -5.384 -12.624 1.00 0.00 H new ATOM 954 N ARG A 62 -17.460 -2.818 -14.043 1.00 0.00 N ATOM 955 CA ARG A 62 -17.199 -2.083 -15.274 1.00 0.00 C ATOM 956 C ARG A 62 -16.262 -0.906 -15.017 1.00 0.00 C ATOM 957 O ARG A 62 -16.109 -0.457 -13.880 1.00 0.00 O ATOM 958 CB ARG A 62 -18.510 -1.580 -15.881 1.00 0.00 C ATOM 959 CG ARG A 62 -19.466 -2.695 -16.274 1.00 0.00 C ATOM 960 CD ARG A 62 -20.372 -2.273 -17.420 1.00 0.00 C ATOM 961 NE ARG A 62 -20.909 -3.422 -18.145 1.00 0.00 N ATOM 962 CZ ARG A 62 -21.850 -3.328 -19.078 1.00 0.00 C ATOM 963 NH1 ARG A 62 -22.354 -2.145 -19.398 1.00 0.00 N ATOM 964 NH2 ARG A 62 -22.287 -4.420 -19.693 1.00 0.00 N ATOM 0 H ARG A 62 -18.186 -2.410 -13.454 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.717 -2.763 -15.977 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -19.005 -0.924 -15.164 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -18.286 -0.978 -16.761 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.897 -3.578 -16.565 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -20.073 -2.976 -15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -21.195 -1.674 -17.030 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.814 -1.638 -18.109 1.00 0.00 H new ATOM 0 HE ARG A 62 -20.541 -4.347 -17.923 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -22.020 -1.304 -18.928 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.076 -2.075 -20.115 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.900 -5.332 -19.449 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -23.010 -4.347 -20.409 1.00 0.00 H new ATOM 978 N THR A 63 -15.636 -0.411 -16.080 1.00 0.00 N ATOM 979 CA THR A 63 -14.713 0.711 -15.969 1.00 0.00 C ATOM 980 C THR A 63 -15.353 2.001 -16.469 1.00 0.00 C ATOM 981 O THR A 63 -16.332 1.972 -17.216 1.00 0.00 O ATOM 982 CB THR A 63 -13.417 0.454 -16.762 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.652 1.660 -16.856 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.731 -0.064 -18.157 1.00 0.00 C ATOM 0 H THR A 63 -15.752 -0.770 -17.028 1.00 0.00 H new ATOM 0 HA THR A 63 -14.469 0.815 -14.912 1.00 0.00 H new ATOM 0 HB THR A 63 -12.837 -0.302 -16.233 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.545 2.050 -15.963 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.801 -0.238 -18.698 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.287 -0.998 -18.082 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.330 0.673 -18.692 1.00 0.00 H new ATOM 992 N LEU A 64 -14.794 3.133 -16.054 1.00 0.00 N ATOM 993 CA LEU A 64 -15.310 4.435 -16.461 1.00 0.00 C ATOM 994 C LEU A 64 -15.438 4.520 -17.979 1.00 0.00 C ATOM 995 O LEU A 64 -16.425 5.037 -18.501 1.00 0.00 O ATOM 996 CB LEU A 64 -14.396 5.550 -15.951 1.00 0.00 C ATOM 997 CG LEU A 64 -14.556 5.929 -14.479 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.987 6.359 -14.191 1.00 0.00 C ATOM 999 CD2 LEU A 64 -14.156 4.766 -13.582 1.00 0.00 C ATOM 0 H LEU A 64 -13.984 3.175 -15.436 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.301 4.558 -16.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.362 5.249 -16.117 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.570 6.440 -16.556 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.896 6.770 -14.266 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.082 6.625 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.239 7.222 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.667 5.538 -14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.276 5.054 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.790 3.906 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.114 4.504 -13.769 1.00 0.00 H new ATOM 1011 N SER A 65 -14.432 4.008 -18.682 1.00 0.00 N ATOM 1012 CA SER A 65 -14.431 4.028 -20.140 1.00 0.00 C ATOM 1013 C SER A 65 -15.604 3.226 -20.695 1.00 0.00 C ATOM 1014 O SER A 65 -16.258 3.644 -21.651 1.00 0.00 O ATOM 1015 CB SER A 65 -13.114 3.465 -20.677 1.00 0.00 C ATOM 1016 OG SER A 65 -13.102 3.459 -22.094 1.00 0.00 O ATOM 0 H SER A 65 -13.608 3.575 -18.265 1.00 0.00 H new ATOM 0 HA SER A 65 -14.535 5.063 -20.465 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.281 4.062 -20.306 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.970 2.451 -20.305 1.00 0.00 H new ATOM 0 HG SER A 65 -12.249 3.096 -22.412 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.864 2.072 -20.088 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.958 1.211 -20.522 1.00 0.00 C ATOM 1024 C GLU A 66 -18.290 1.955 -20.470 1.00 0.00 C ATOM 1025 O GLU A 66 -19.207 1.662 -21.237 1.00 0.00 O ATOM 1026 CB GLU A 66 -17.027 -0.043 -19.648 1.00 0.00 C ATOM 1027 CG GLU A 66 -16.136 -1.173 -20.135 1.00 0.00 C ATOM 1028 CD GLU A 66 -16.734 -1.924 -21.308 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.514 -2.871 -21.071 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -16.423 -1.566 -22.463 1.00 0.00 O ATOM 0 H GLU A 66 -15.333 1.712 -19.295 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.767 0.916 -21.554 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.743 0.219 -18.629 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.058 -0.394 -19.612 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.167 -0.767 -20.425 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.958 -1.869 -19.315 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.388 2.917 -19.559 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.607 3.701 -19.404 1.00 0.00 C ATOM 1039 C TYR A 67 -19.562 4.956 -20.270 1.00 0.00 C ATOM 1040 O TYR A 67 -20.373 5.866 -20.106 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.807 4.087 -17.937 1.00 0.00 C ATOM 1042 CG TYR A 67 -20.502 3.021 -17.120 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.787 2.600 -17.442 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.876 2.437 -16.027 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -22.426 1.627 -16.698 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -20.507 1.463 -15.278 1.00 0.00 C ATOM 1047 CZ TYR A 67 -21.782 1.061 -15.617 1.00 0.00 C ATOM 1048 OH TYR A 67 -22.415 0.092 -14.873 1.00 0.00 O ATOM 0 H TYR A 67 -17.638 3.172 -18.917 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.447 3.087 -19.729 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.836 4.300 -17.490 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.389 5.007 -17.888 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.294 3.041 -18.288 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.878 2.750 -15.758 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -23.425 1.311 -16.961 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -20.005 1.019 -14.431 1.00 0.00 H new ATOM 0 HH TYR A 67 -21.820 -0.680 -14.767 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.606 4.997 -21.193 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.453 6.139 -22.086 1.00 0.00 C ATOM 1060 C ASN A 68 -18.180 7.415 -21.295 1.00 0.00 C ATOM 1061 O ASN A 68 -18.379 8.522 -21.795 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.709 6.316 -22.941 1.00 0.00 C ATOM 1063 CG ASN A 68 -19.417 6.998 -24.264 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -18.777 6.422 -25.144 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.885 8.232 -24.409 1.00 0.00 N ATOM 0 H ASN A 68 -17.926 4.252 -21.342 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.601 5.947 -22.738 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.157 5.340 -23.129 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.442 6.902 -22.387 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.719 8.742 -25.277 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -20.411 8.670 -23.653 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.723 7.251 -20.058 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.421 8.389 -19.199 1.00 0.00 C ATOM 1074 C ILE A 69 -16.091 9.030 -19.582 1.00 0.00 C ATOM 1075 O ILE A 69 -15.026 8.557 -19.184 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.371 7.977 -17.715 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.701 7.350 -17.293 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.045 9.180 -16.842 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.653 6.692 -15.932 1.00 0.00 C ATOM 0 H ILE A 69 -17.554 6.341 -19.629 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.224 9.112 -19.340 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.583 7.235 -17.585 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.472 8.121 -17.288 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -18.996 6.609 -18.036 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.013 8.873 -15.797 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.076 9.587 -17.130 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.812 9.943 -16.973 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.630 6.269 -15.698 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.906 5.898 -15.938 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.389 7.434 -15.178 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.161 10.109 -20.355 1.00 0.00 N ATOM 1092 CA GLN A 70 -14.961 10.814 -20.790 1.00 0.00 C ATOM 1093 C GLN A 70 -14.592 11.919 -19.805 1.00 0.00 C ATOM 1094 O GLN A 70 -15.147 12.000 -18.710 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.171 11.408 -22.185 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.725 10.413 -23.192 1.00 0.00 C ATOM 1097 CD GLN A 70 -14.775 9.262 -23.458 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -13.589 9.333 -23.136 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -15.293 8.191 -24.050 1.00 0.00 N ATOM 0 H GLN A 70 -17.034 10.514 -20.692 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.141 10.096 -20.827 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.853 12.255 -22.111 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.221 11.794 -22.553 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.673 10.019 -22.825 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.936 10.929 -24.129 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.282 8.175 -24.300 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.702 7.385 -24.254 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.650 12.768 -20.203 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.205 13.869 -19.356 1.00 0.00 C ATOM 1110 C LYS A 71 -14.235 14.994 -19.343 1.00 0.00 C ATOM 1111 O LYS A 71 -14.091 15.970 -18.607 1.00 0.00 O ATOM 1112 CB LYS A 71 -11.857 14.402 -19.845 1.00 0.00 C ATOM 1113 CG LYS A 71 -11.911 15.009 -21.236 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.042 14.236 -22.215 1.00 0.00 C ATOM 1115 CE LYS A 71 -9.735 14.961 -22.493 1.00 0.00 C ATOM 1116 NZ LYS A 71 -9.179 14.611 -23.829 1.00 0.00 N ATOM 0 H LYS A 71 -13.180 12.715 -21.107 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.092 13.492 -18.340 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.497 15.154 -19.143 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.131 13.589 -19.841 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.942 15.017 -21.591 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.580 16.047 -21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.831 13.245 -21.812 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.585 14.091 -23.149 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.898 16.037 -22.438 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.009 14.709 -21.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.288 15.126 -23.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.999 13.588 -23.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.861 14.875 -24.569 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.273 14.850 -20.160 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.326 15.856 -20.240 1.00 0.00 C ATOM 1132 C GLU A 72 -17.704 15.213 -20.101 1.00 0.00 C ATOM 1133 O GLU A 72 -18.674 15.661 -20.713 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.237 16.616 -21.565 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.032 17.536 -21.659 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.178 18.580 -22.749 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.941 19.547 -22.546 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -14.529 18.429 -23.806 1.00 0.00 O ATOM 0 H GLU A 72 -15.408 14.048 -20.775 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.186 16.557 -19.417 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.200 15.898 -22.384 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.144 17.205 -21.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.885 18.035 -20.701 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.139 16.941 -21.849 1.00 0.00 H new ATOM 1145 N SER A 73 -17.780 14.160 -19.294 1.00 0.00 N ATOM 1146 CA SER A 73 -19.037 13.453 -19.077 1.00 0.00 C ATOM 1147 C SER A 73 -19.746 13.974 -17.831 1.00 0.00 C ATOM 1148 O SER A 73 -19.124 14.570 -16.951 1.00 0.00 O ATOM 1149 CB SER A 73 -18.784 11.950 -18.943 1.00 0.00 C ATOM 1150 OG SER A 73 -18.826 11.311 -20.207 1.00 0.00 O ATOM 0 H SER A 73 -16.987 13.778 -18.780 1.00 0.00 H new ATOM 0 HA SER A 73 -19.679 13.631 -19.940 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.812 11.782 -18.479 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.532 11.509 -18.284 1.00 0.00 H new ATOM 0 HG SER A 73 -18.416 11.892 -20.881 1.00 0.00 H new ATOM 1156 N THR A 74 -21.054 13.746 -17.763 1.00 0.00 N ATOM 1157 CA THR A 74 -21.850 14.192 -16.627 1.00 0.00 C ATOM 1158 C THR A 74 -22.188 13.029 -15.701 1.00 0.00 C ATOM 1159 O THR A 74 -22.639 11.975 -16.151 1.00 0.00 O ATOM 1160 CB THR A 74 -23.158 14.864 -17.086 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.990 15.418 -18.396 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.573 15.960 -16.116 1.00 0.00 C ATOM 0 H THR A 74 -21.585 13.255 -18.482 1.00 0.00 H new ATOM 0 HA THR A 74 -21.246 14.920 -16.086 1.00 0.00 H new ATOM 0 HB THR A 74 -23.941 14.106 -17.110 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.826 15.842 -18.682 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.499 16.420 -16.461 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.728 15.530 -15.126 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.790 16.716 -16.065 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.968 13.226 -14.406 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.250 12.193 -13.416 1.00 0.00 C ATOM 1172 C LEU A 75 -23.237 12.698 -12.368 1.00 0.00 C ATOM 1173 O LEU A 75 -23.333 13.900 -12.119 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.955 11.742 -12.738 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.299 10.486 -13.313 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.174 9.267 -13.070 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.025 10.660 -14.800 1.00 0.00 C ATOM 0 H LEU A 75 -21.595 14.092 -14.017 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.698 11.343 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.236 12.560 -12.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.163 11.568 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.348 10.332 -12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.690 8.383 -13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.319 9.131 -11.998 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.141 9.412 -13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.558 9.756 -15.192 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.963 10.840 -15.324 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.357 11.508 -14.950 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.967 11.771 -11.756 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.945 12.122 -10.732 1.00 0.00 C ATOM 1191 C HIS A 76 -24.810 11.210 -9.516 1.00 0.00 C ATOM 1192 O HIS A 76 -24.920 9.988 -9.629 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.362 12.031 -11.298 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.801 13.269 -12.018 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.389 14.341 -11.382 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.732 13.602 -13.328 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.665 15.280 -12.270 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.276 14.856 -13.459 1.00 0.00 N ATOM 0 H HIS A 76 -23.900 10.772 -11.951 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.753 13.148 -10.417 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.417 11.184 -11.982 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.057 11.829 -10.483 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.325 12.994 -14.123 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.130 16.232 -12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.365 15.375 -14.332 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.571 11.811 -8.356 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.420 11.053 -7.119 1.00 0.00 C ATOM 1208 C LEU A 77 -25.710 11.077 -6.305 1.00 0.00 C ATOM 1209 O LEU A 77 -26.142 12.130 -5.837 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.269 11.620 -6.287 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.404 13.083 -5.863 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.717 13.181 -4.378 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.134 13.853 -6.194 1.00 0.00 C ATOM 0 H LEU A 77 -24.478 12.821 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.196 10.019 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.162 11.011 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.347 11.512 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.230 13.528 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.810 14.229 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.654 12.664 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.912 12.720 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.248 14.892 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.291 13.408 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -21.953 13.811 -7.268 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.321 9.907 -6.138 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.559 9.793 -5.378 1.00 0.00 C ATOM 1227 C VAL A 78 -27.347 8.993 -4.098 1.00 0.00 C ATOM 1228 O VAL A 78 -26.851 7.866 -4.132 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.669 9.124 -6.210 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.173 10.071 -7.288 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.166 7.826 -6.822 1.00 0.00 C ATOM 0 H VAL A 78 -25.978 9.025 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.867 10.807 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.503 8.888 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.957 9.581 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.574 10.971 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.350 10.341 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.963 7.366 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.315 8.035 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.859 7.145 -6.029 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.725 9.582 -2.969 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.576 8.924 -1.675 1.00 0.00 C ATOM 1243 C LEU A 79 -28.887 8.276 -1.240 1.00 0.00 C ATOM 1244 O LEU A 79 -29.917 8.942 -1.141 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.116 9.930 -0.619 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.820 10.681 -0.926 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.795 9.744 -1.546 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -26.093 11.861 -1.848 1.00 0.00 C ATOM 0 H LEU A 79 -28.137 10.514 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.822 8.143 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.910 10.662 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -26.991 9.402 0.327 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.413 11.064 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.879 10.296 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -24.577 8.932 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.193 9.332 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -25.159 12.384 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -26.523 11.501 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -26.792 12.545 -1.367 1.00 0.00 H new