USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 740 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 27 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-2.3) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 67:sc= 0.843 USER MOD Single : A 17 GLN : amide:sc= 0.257 K(o=0.26,f=-0.89) USER MOD Single : A 19 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.43) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.502 USER MOD Single : A 23 TYR OH : rot 30:sc= -1.65 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -60:sc= 0.82 USER MOD Single : A 42 CYS SG : rot 52:sc= -3.36! USER MOD Single : A 46 TYR OH : rot 74:sc= 0.0818 USER MOD Single : A 49 GLN : amide:sc= -9.1! C(o=-9.1!,f=-10!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.67) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 72 LYS NZ :NH3+ 141:sc= -1.63 (180deg=-3.82!) USER MOD Single : A 76 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.73) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.157 USER MOD Single : A 87 GLN : amide:sc= -0.1 K(o=-0.1,f=-2!) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00822 USER MOD Single : A 101 TYR OH : rot -14:sc= -1.52! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.965 K(o=-0.96,f=-0.11) USER MOD Single : A 106 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-3.6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 151:sc= -0.0787 (180deg=-0.903) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.364 -13.882 -3.263 1.00 0.00 N ATOM 113 CA GLU A 11 0.028 -13.540 -3.535 1.00 0.00 C ATOM 114 C GLU A 11 0.284 -12.058 -3.278 1.00 0.00 C ATOM 115 O GLU A 11 1.275 -11.687 -2.647 1.00 0.00 O ATOM 116 CB GLU A 11 0.388 -13.887 -4.982 1.00 0.00 C ATOM 117 CG GLU A 11 1.867 -13.734 -5.294 1.00 0.00 C ATOM 118 CD GLU A 11 2.202 -14.099 -6.727 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.052 -13.230 -7.611 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.612 -15.254 -6.965 1.00 0.00 O ATOM 0 HA GLU A 11 0.657 -14.122 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.086 -14.914 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.185 -13.247 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.170 -12.704 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.444 -14.365 -4.618 1.00 0.00 H new ATOM 127 N LEU A 12 -0.616 -11.214 -3.770 1.00 0.00 N ATOM 128 CA LEU A 12 -0.490 -9.771 -3.594 1.00 0.00 C ATOM 129 C LEU A 12 -0.582 -9.392 -2.119 1.00 0.00 C ATOM 130 O LEU A 12 0.294 -8.710 -1.586 1.00 0.00 O ATOM 131 CB LEU A 12 -1.575 -9.044 -4.389 1.00 0.00 C ATOM 132 CG LEU A 12 -1.762 -7.560 -4.067 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.496 -6.781 -4.389 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.948 -6.994 -4.833 1.00 0.00 C ATOM 0 H LEU A 12 -1.442 -11.504 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 12 0.488 -9.468 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.345 -9.139 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.524 -9.554 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.964 -7.461 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.647 -5.727 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.331 -7.170 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.264 -6.886 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.066 -5.938 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.776 -7.105 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.853 -7.533 -4.553 1.00 0.00 H new ATOM 146 N LEU A 13 -1.648 -9.840 -1.465 1.00 0.00 N ATOM 147 CA LEU A 13 -1.855 -9.549 -0.051 1.00 0.00 C ATOM 148 C LEU A 13 -0.624 -9.922 0.768 1.00 0.00 C ATOM 149 O LEU A 13 0.024 -9.060 1.362 1.00 0.00 O ATOM 150 CB LEU A 13 -3.078 -10.306 0.472 1.00 0.00 C ATOM 151 CG LEU A 13 -3.250 -10.334 1.991 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.649 -8.961 2.508 1.00 0.00 C ATOM 153 CD2 LEU A 13 -4.285 -11.377 2.391 1.00 0.00 C ATOM 0 H LEU A 13 -2.382 -10.406 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.026 -8.478 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.971 -9.861 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.025 -11.334 0.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.295 -10.606 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.767 -9.000 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.875 -8.237 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.592 -8.660 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.395 -11.383 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.243 -11.134 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.959 -12.361 2.054 1.00 0.00 H new ATOM 165 N ARG A 14 -0.304 -11.212 0.792 1.00 0.00 N ATOM 166 CA ARG A 14 0.850 -11.700 1.537 1.00 0.00 C ATOM 167 C ARG A 14 2.070 -10.816 1.290 1.00 0.00 C ATOM 168 O ARG A 14 2.797 -10.471 2.220 1.00 0.00 O ATOM 169 CB ARG A 14 1.166 -13.144 1.142 1.00 0.00 C ATOM 170 CG ARG A 14 0.298 -14.172 1.850 1.00 0.00 C ATOM 171 CD ARG A 14 0.092 -15.411 0.994 1.00 0.00 C ATOM 172 NE ARG A 14 1.257 -16.293 1.017 1.00 0.00 N ATOM 173 CZ ARG A 14 1.579 -17.057 2.055 1.00 0.00 C ATOM 174 NH1 ARG A 14 0.828 -17.049 3.147 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.655 -17.832 2.001 1.00 0.00 N ATOM 0 H ARG A 14 -0.828 -11.938 0.304 1.00 0.00 H new ATOM 0 HA ARG A 14 0.606 -11.666 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.039 -13.253 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.213 -13.351 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.763 -14.454 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.669 -13.730 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.782 -15.956 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.116 -15.111 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 14 1.855 -16.324 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.000 -16.455 3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.078 -17.637 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.235 -17.841 1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.902 -18.418 2.798 1.00 0.00 H new ATOM 189 N TRP A 15 2.285 -10.454 0.029 1.00 0.00 N ATOM 190 CA TRP A 15 3.416 -9.612 -0.340 1.00 0.00 C ATOM 191 C TRP A 15 3.331 -8.253 0.348 1.00 0.00 C ATOM 192 O TRP A 15 4.343 -7.703 0.781 1.00 0.00 O ATOM 193 CB TRP A 15 3.465 -9.426 -1.858 1.00 0.00 C ATOM 194 CG TRP A 15 4.570 -8.518 -2.310 1.00 0.00 C ATOM 195 CD1 TRP A 15 5.871 -8.862 -2.540 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.469 -7.116 -2.583 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.585 -7.759 -2.940 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.747 -6.675 -2.976 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.423 -6.191 -2.536 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.005 -5.351 -3.318 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.680 -4.877 -2.876 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.963 -4.466 -3.263 1.00 0.00 C ATOM 0 H TRP A 15 1.691 -10.730 -0.753 1.00 0.00 H new ATOM 0 HA TRP A 15 4.329 -10.108 -0.011 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.587 -10.400 -2.332 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.511 -9.023 -2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.279 -9.855 -2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.578 -7.748 -3.173 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.431 -6.498 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.993 -5.033 -3.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.879 -4.154 -2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.132 -3.431 -3.523 1.00 0.00 H new ATOM 213 N CYS A 16 2.119 -7.719 0.446 1.00 0.00 N ATOM 214 CA CYS A 16 1.903 -6.425 1.081 1.00 0.00 C ATOM 215 C CYS A 16 2.128 -6.514 2.587 1.00 0.00 C ATOM 216 O CYS A 16 2.698 -5.607 3.193 1.00 0.00 O ATOM 217 CB CYS A 16 0.486 -5.923 0.795 1.00 0.00 C ATOM 218 SG CYS A 16 0.131 -5.679 -0.961 1.00 0.00 S ATOM 0 H CYS A 16 1.271 -8.163 0.094 1.00 0.00 H new ATOM 0 HA CYS A 16 2.622 -5.720 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.230 -6.636 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.333 -4.980 1.320 1.00 0.00 H new ATOM 0 HG CYS A 16 0.125 -6.829 -1.566 1.00 0.00 H new ATOM 224 N GLN A 17 1.677 -7.612 3.184 1.00 0.00 N ATOM 225 CA GLN A 17 1.829 -7.818 4.619 1.00 0.00 C ATOM 226 C GLN A 17 3.301 -7.805 5.019 1.00 0.00 C ATOM 227 O GLN A 17 3.679 -7.176 6.006 1.00 0.00 O ATOM 228 CB GLN A 17 1.186 -9.141 5.037 1.00 0.00 C ATOM 229 CG GLN A 17 -0.327 -9.159 4.888 1.00 0.00 C ATOM 230 CD GLN A 17 -0.933 -10.505 5.230 1.00 0.00 C ATOM 231 OE1 GLN A 17 -0.301 -11.546 5.050 1.00 0.00 O ATOM 232 NE2 GLN A 17 -2.164 -10.491 5.727 1.00 0.00 N ATOM 0 H GLN A 17 1.203 -8.372 2.696 1.00 0.00 H new ATOM 0 HA GLN A 17 1.325 -6.999 5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.611 -9.947 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.442 -9.347 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.761 -8.395 5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.590 -8.897 3.863 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.650 -9.604 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.623 -11.367 5.977 1.00 0.00 H new ATOM 241 N GLU A 18 4.125 -8.504 4.245 1.00 0.00 N ATOM 242 CA GLU A 18 5.556 -8.573 4.520 1.00 0.00 C ATOM 243 C GLU A 18 6.185 -7.183 4.478 1.00 0.00 C ATOM 244 O GLU A 18 7.048 -6.859 5.293 1.00 0.00 O ATOM 245 CB GLU A 18 6.248 -9.489 3.510 1.00 0.00 C ATOM 246 CG GLU A 18 5.829 -10.945 3.621 1.00 0.00 C ATOM 247 CD GLU A 18 6.118 -11.532 4.989 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.304 -11.776 5.292 1.00 0.00 O ATOM 249 OE2 GLU A 18 5.156 -11.748 5.756 1.00 0.00 O ATOM 0 H GLU A 18 3.827 -9.030 3.423 1.00 0.00 H new ATOM 0 HA GLU A 18 5.689 -8.983 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.032 -9.133 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.327 -9.419 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.763 -11.029 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.350 -11.528 2.862 1.00 0.00 H new ATOM 256 N GLN A 19 5.746 -6.370 3.524 1.00 0.00 N ATOM 257 CA GLN A 19 6.267 -5.016 3.376 1.00 0.00 C ATOM 258 C GLN A 19 5.808 -4.127 4.526 1.00 0.00 C ATOM 259 O GLN A 19 6.622 -3.637 5.311 1.00 0.00 O ATOM 260 CB GLN A 19 5.818 -4.417 2.041 1.00 0.00 C ATOM 261 CG GLN A 19 6.409 -5.121 0.830 1.00 0.00 C ATOM 262 CD GLN A 19 7.868 -5.484 1.020 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.704 -4.623 1.295 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.183 -6.766 0.874 1.00 0.00 N ATOM 0 H GLN A 19 5.031 -6.624 2.842 1.00 0.00 H new ATOM 0 HA GLN A 19 7.356 -5.069 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.730 -4.459 1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.098 -3.364 2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.837 -6.026 0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.310 -4.477 -0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.458 -7.446 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.150 -7.070 0.990 1.00 0.00 H new ATOM 273 N THR A 20 4.499 -3.919 4.620 1.00 0.00 N ATOM 274 CA THR A 20 3.930 -3.087 5.674 1.00 0.00 C ATOM 275 C THR A 20 4.244 -3.656 7.053 1.00 0.00 C ATOM 276 O THR A 20 4.181 -2.946 8.057 1.00 0.00 O ATOM 277 CB THR A 20 2.404 -2.952 5.521 1.00 0.00 C ATOM 278 OG1 THR A 20 1.781 -4.233 5.667 1.00 0.00 O ATOM 279 CG2 THR A 20 2.045 -2.360 4.166 1.00 0.00 C ATOM 0 H THR A 20 3.812 -4.315 3.979 1.00 0.00 H new ATOM 0 HA THR A 20 4.385 -2.101 5.579 1.00 0.00 H new ATOM 0 HB THR A 20 2.042 -2.281 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.020 -4.802 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.962 -2.275 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.496 -1.372 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.420 -3.009 3.375 1.00 0.00 H new ATOM 287 N ALA A 21 4.582 -4.940 7.096 1.00 0.00 N ATOM 288 CA ALA A 21 4.908 -5.604 8.351 1.00 0.00 C ATOM 289 C ALA A 21 5.933 -4.802 9.146 1.00 0.00 C ATOM 290 O ALA A 21 6.049 -4.955 10.361 1.00 0.00 O ATOM 291 CB ALA A 21 5.424 -7.010 8.087 1.00 0.00 C ATOM 0 H ALA A 21 4.637 -5.542 6.274 1.00 0.00 H new ATOM 0 HA ALA A 21 3.997 -5.670 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.663 -7.494 9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.659 -7.587 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.320 -6.959 7.469 1.00 0.00 H new ATOM 297 N GLY A 22 6.677 -3.947 8.450 1.00 0.00 N ATOM 298 CA GLY A 22 7.684 -3.134 9.108 1.00 0.00 C ATOM 299 C GLY A 22 7.184 -1.740 9.430 1.00 0.00 C ATOM 300 O GLY A 22 7.771 -0.747 8.999 1.00 0.00 O ATOM 0 H GLY A 22 6.600 -3.803 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.999 -3.625 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.564 -3.062 8.468 1.00 0.00 H new ATOM 304 N TYR A 23 6.095 -1.663 10.186 1.00 0.00 N ATOM 305 CA TYR A 23 5.513 -0.380 10.562 1.00 0.00 C ATOM 306 C TYR A 23 4.673 -0.513 11.828 1.00 0.00 C ATOM 307 O TYR A 23 3.883 -1.444 11.986 1.00 0.00 O ATOM 308 CB TYR A 23 4.656 0.168 9.422 1.00 0.00 C ATOM 309 CG TYR A 23 4.367 1.648 9.537 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.569 2.142 10.562 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.892 2.552 8.623 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.303 3.493 10.672 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.632 3.905 8.726 1.00 0.00 C ATOM 314 CZ TYR A 23 3.836 4.370 9.751 1.00 0.00 C ATOM 315 OH TYR A 23 3.574 5.717 9.858 1.00 0.00 O ATOM 0 H TYR A 23 5.597 -2.475 10.551 1.00 0.00 H new ATOM 0 HA TYR A 23 6.328 0.316 10.761 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.162 -0.022 8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.712 -0.377 9.394 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.150 1.458 11.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.514 2.191 7.818 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.681 3.860 11.475 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.050 4.595 8.008 1.00 0.00 H new ATOM 0 HH TYR A 23 3.441 5.951 10.800 1.00 0.00 H new ATOM 325 N PRO A 24 4.844 0.443 12.755 1.00 0.00 N ATOM 326 CA PRO A 24 4.110 0.456 14.022 1.00 0.00 C ATOM 327 C PRO A 24 2.630 0.771 13.833 1.00 0.00 C ATOM 328 O PRO A 24 2.267 1.869 13.416 1.00 0.00 O ATOM 329 CB PRO A 24 4.795 1.571 14.817 1.00 0.00 C ATOM 330 CG PRO A 24 5.377 2.472 13.782 1.00 0.00 C ATOM 331 CD PRO A 24 5.769 1.582 12.634 1.00 0.00 C ATOM 0 HA PRO A 24 4.133 -0.516 14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.083 2.102 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.568 1.172 15.474 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.652 3.222 13.465 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.241 3.009 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.658 2.090 11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.809 1.265 12.708 1.00 0.00 H new ATOM 339 N GLY A 25 1.778 -0.203 14.140 1.00 0.00 N ATOM 340 CA GLY A 25 0.348 -0.011 13.996 1.00 0.00 C ATOM 341 C GLY A 25 -0.211 -0.706 12.770 1.00 0.00 C ATOM 342 O GLY A 25 -1.199 -1.435 12.856 1.00 0.00 O ATOM 0 H GLY A 25 2.054 -1.122 14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.157 -0.388 14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.132 1.056 13.935 1.00 0.00 H new ATOM 346 N VAL A 26 0.422 -0.479 11.623 1.00 0.00 N ATOM 347 CA VAL A 26 -0.018 -1.089 10.374 1.00 0.00 C ATOM 348 C VAL A 26 -0.152 -2.600 10.517 1.00 0.00 C ATOM 349 O VAL A 26 0.845 -3.317 10.620 1.00 0.00 O ATOM 350 CB VAL A 26 0.959 -0.778 9.224 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.459 -1.384 7.921 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.154 0.724 9.083 1.00 0.00 C ATOM 0 H VAL A 26 1.241 0.123 11.533 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.993 -0.662 10.139 1.00 0.00 H new ATOM 0 HB VAL A 26 1.925 -1.226 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.161 -1.154 7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.375 -2.465 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.518 -0.967 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.847 0.926 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.195 1.197 8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.560 1.127 10.011 1.00 0.00 H new ATOM 362 N HIS A 27 -1.391 -3.082 10.524 1.00 0.00 N ATOM 363 CA HIS A 27 -1.656 -4.510 10.654 1.00 0.00 C ATOM 364 C HIS A 27 -2.510 -5.011 9.493 1.00 0.00 C ATOM 365 O HIS A 27 -3.683 -5.344 9.669 1.00 0.00 O ATOM 366 CB HIS A 27 -2.357 -4.802 11.981 1.00 0.00 C ATOM 367 CG HIS A 27 -2.860 -6.208 12.096 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.074 -7.255 12.529 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.078 -6.736 11.835 1.00 0.00 C ATOM 370 CE1 HIS A 27 -2.785 -8.367 12.527 1.00 0.00 C ATOM 371 NE2 HIS A 27 -4.006 -8.079 12.110 1.00 0.00 N ATOM 0 H HIS A 27 -2.227 -2.504 10.441 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.701 -5.035 10.634 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.665 -4.604 12.799 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.195 -4.114 12.099 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.945 -6.201 11.477 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.430 -9.345 12.817 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.771 -8.746 12.009 1.00 0.00 H new ATOM 380 N VAL A 28 -1.914 -5.063 8.305 1.00 0.00 N ATOM 381 CA VAL A 28 -2.620 -5.525 7.116 1.00 0.00 C ATOM 382 C VAL A 28 -3.055 -6.978 7.265 1.00 0.00 C ATOM 383 O VAL A 28 -2.265 -7.899 7.061 1.00 0.00 O ATOM 384 CB VAL A 28 -1.745 -5.389 5.857 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.425 -6.037 4.660 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.437 -3.926 5.577 1.00 0.00 C ATOM 0 H VAL A 28 -0.945 -4.791 8.141 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.502 -4.895 7.006 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.803 -5.908 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.791 -5.930 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.589 -7.095 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.383 -5.550 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.818 -3.849 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.368 -3.382 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.904 -3.497 6.426 1.00 0.00 H new ATOM 396 N SER A 29 -4.321 -7.177 7.621 1.00 0.00 N ATOM 397 CA SER A 29 -4.862 -8.519 7.800 1.00 0.00 C ATOM 398 C SER A 29 -5.766 -8.901 6.632 1.00 0.00 C ATOM 399 O SER A 29 -6.161 -10.059 6.491 1.00 0.00 O ATOM 400 CB SER A 29 -5.642 -8.606 9.114 1.00 0.00 C ATOM 401 OG SER A 29 -5.640 -9.930 9.622 1.00 0.00 O ATOM 0 H SER A 29 -4.990 -6.426 7.791 1.00 0.00 H new ATOM 0 HA SER A 29 -4.027 -9.219 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.201 -7.931 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.668 -8.276 8.954 1.00 0.00 H new ATOM 0 HG SER A 29 -6.143 -9.959 10.462 1.00 0.00 H new ATOM 407 N ASP A 30 -6.090 -7.920 5.798 1.00 0.00 N ATOM 408 CA ASP A 30 -6.947 -8.151 4.642 1.00 0.00 C ATOM 409 C ASP A 30 -6.889 -6.970 3.678 1.00 0.00 C ATOM 410 O ASP A 30 -6.153 -6.008 3.901 1.00 0.00 O ATOM 411 CB ASP A 30 -8.390 -8.391 5.088 1.00 0.00 C ATOM 412 CG ASP A 30 -8.750 -7.601 6.331 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.544 -8.124 7.446 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.240 -6.462 6.189 1.00 0.00 O ATOM 0 H ASP A 30 -5.772 -6.956 5.901 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.584 -9.038 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.068 -8.119 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.536 -9.454 5.281 1.00 0.00 H new ATOM 419 N LEU A 31 -7.670 -7.049 2.606 1.00 0.00 N ATOM 420 CA LEU A 31 -7.707 -5.987 1.606 1.00 0.00 C ATOM 421 C LEU A 31 -9.069 -5.300 1.593 1.00 0.00 C ATOM 422 O LEU A 31 -9.527 -4.827 0.553 1.00 0.00 O ATOM 423 CB LEU A 31 -7.396 -6.552 0.219 1.00 0.00 C ATOM 424 CG LEU A 31 -6.171 -7.464 0.126 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.311 -8.427 -1.042 1.00 0.00 C ATOM 426 CD2 LEU A 31 -4.901 -6.637 -0.010 1.00 0.00 C ATOM 0 H LEU A 31 -8.286 -7.837 2.407 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.949 -5.249 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.266 -7.109 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.256 -5.718 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.104 -8.047 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.431 -9.068 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.200 -9.042 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.403 -7.863 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.039 -7.301 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.958 -6.028 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.794 -5.988 0.859 1.00 0.00 H new ATOM 438 N SER A 32 -9.710 -5.247 2.756 1.00 0.00 N ATOM 439 CA SER A 32 -11.021 -4.619 2.879 1.00 0.00 C ATOM 440 C SER A 32 -10.926 -3.311 3.661 1.00 0.00 C ATOM 441 O SER A 32 -11.048 -2.226 3.094 1.00 0.00 O ATOM 442 CB SER A 32 -12.002 -5.568 3.567 1.00 0.00 C ATOM 443 OG SER A 32 -12.041 -6.824 2.912 1.00 0.00 O ATOM 0 H SER A 32 -9.343 -5.631 3.627 1.00 0.00 H new ATOM 0 HA SER A 32 -11.385 -4.397 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.710 -5.706 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.998 -5.126 3.572 1.00 0.00 H new ATOM 0 HG SER A 32 -12.674 -7.413 3.372 1.00 0.00 H new ATOM 449 N SER A 33 -10.707 -3.425 4.967 1.00 0.00 N ATOM 450 CA SER A 33 -10.599 -2.255 5.829 1.00 0.00 C ATOM 451 C SER A 33 -9.182 -2.112 6.377 1.00 0.00 C ATOM 452 O SER A 33 -8.740 -1.011 6.705 1.00 0.00 O ATOM 453 CB SER A 33 -11.597 -2.352 6.985 1.00 0.00 C ATOM 454 OG SER A 33 -11.922 -1.068 7.488 1.00 0.00 O ATOM 0 H SER A 33 -10.601 -4.317 5.451 1.00 0.00 H new ATOM 0 HA SER A 33 -10.830 -1.373 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.504 -2.853 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.175 -2.963 7.783 1.00 0.00 H new ATOM 0 HG SER A 33 -12.562 -1.158 8.225 1.00 0.00 H new ATOM 460 N SER A 34 -8.476 -3.234 6.474 1.00 0.00 N ATOM 461 CA SER A 34 -7.110 -3.236 6.985 1.00 0.00 C ATOM 462 C SER A 34 -6.314 -2.067 6.414 1.00 0.00 C ATOM 463 O SER A 34 -5.329 -1.625 7.004 1.00 0.00 O ATOM 464 CB SER A 34 -6.417 -4.556 6.643 1.00 0.00 C ATOM 465 OG SER A 34 -6.609 -5.514 7.669 1.00 0.00 O ATOM 0 H SER A 34 -8.827 -4.153 6.206 1.00 0.00 H new ATOM 0 HA SER A 34 -7.154 -3.127 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.809 -4.943 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.351 -4.383 6.497 1.00 0.00 H new ATOM 0 HG SER A 34 -6.235 -5.174 8.508 1.00 0.00 H new ATOM 471 N TRP A 35 -6.750 -1.571 5.261 1.00 0.00 N ATOM 472 CA TRP A 35 -6.079 -0.452 4.608 1.00 0.00 C ATOM 473 C TRP A 35 -6.880 0.834 4.771 1.00 0.00 C ATOM 474 O TRP A 35 -6.324 1.931 4.736 1.00 0.00 O ATOM 475 CB TRP A 35 -5.869 -0.754 3.123 1.00 0.00 C ATOM 476 CG TRP A 35 -5.054 -1.986 2.876 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.408 -3.273 3.161 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.746 -2.046 2.295 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.399 -4.131 2.792 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.369 -3.403 2.257 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.858 -1.087 1.801 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.143 -3.821 1.747 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.642 -1.504 1.295 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.293 -2.860 1.270 1.00 0.00 C ATOM 0 H TRP A 35 -7.564 -1.926 4.759 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.108 -0.314 5.084 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.841 -0.868 2.642 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.378 0.098 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.343 -3.573 3.610 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.415 -5.145 2.899 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.118 -0.039 1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.872 -4.866 1.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.948 -0.771 0.912 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.335 -3.153 0.867 1.00 0.00 H new ATOM 495 N ALA A 36 -8.189 0.692 4.950 1.00 0.00 N ATOM 496 CA ALA A 36 -9.067 1.843 5.120 1.00 0.00 C ATOM 497 C ALA A 36 -8.422 2.896 6.016 1.00 0.00 C ATOM 498 O ALA A 36 -8.396 4.080 5.679 1.00 0.00 O ATOM 499 CB ALA A 36 -10.406 1.406 5.695 1.00 0.00 C ATOM 0 H ALA A 36 -8.665 -0.210 4.981 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.234 2.290 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.051 2.276 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.879 0.696 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.249 0.933 6.664 1.00 0.00 H new ATOM 505 N ASP A 37 -7.904 2.458 7.158 1.00 0.00 N ATOM 506 CA ASP A 37 -7.260 3.363 8.102 1.00 0.00 C ATOM 507 C ASP A 37 -6.432 4.413 7.369 1.00 0.00 C ATOM 508 O ASP A 37 -6.461 5.593 7.715 1.00 0.00 O ATOM 509 CB ASP A 37 -6.371 2.578 9.068 1.00 0.00 C ATOM 510 CG ASP A 37 -7.148 1.545 9.860 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.195 1.081 9.363 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.710 1.201 10.978 1.00 0.00 O ATOM 0 H ASP A 37 -7.918 1.481 7.452 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.039 3.872 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.580 2.081 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.887 3.271 9.756 1.00 0.00 H new ATOM 517 N GLY A 38 -5.692 3.975 6.355 1.00 0.00 N ATOM 518 CA GLY A 38 -4.865 4.890 5.590 1.00 0.00 C ATOM 519 C GLY A 38 -3.384 4.610 5.756 1.00 0.00 C ATOM 520 O GLY A 38 -2.616 4.699 4.797 1.00 0.00 O ATOM 0 H GLY A 38 -5.650 3.003 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.129 4.818 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.076 5.913 5.902 1.00 0.00 H new ATOM 524 N LEU A 39 -2.981 4.272 6.976 1.00 0.00 N ATOM 525 CA LEU A 39 -1.582 3.979 7.265 1.00 0.00 C ATOM 526 C LEU A 39 -1.048 2.895 6.335 1.00 0.00 C ATOM 527 O LEU A 39 0.029 3.034 5.756 1.00 0.00 O ATOM 528 CB LEU A 39 -1.423 3.541 8.723 1.00 0.00 C ATOM 529 CG LEU A 39 -1.156 4.657 9.734 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.346 4.146 11.154 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.244 5.221 9.550 1.00 0.00 C ATOM 0 H LEU A 39 -3.603 4.194 7.781 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.005 4.889 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.329 3.014 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.604 2.824 8.779 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.873 5.459 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.152 4.953 11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.369 3.792 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.653 3.326 11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.415 6.014 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.978 4.428 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.344 5.626 8.543 1.00 0.00 H new ATOM 543 N ALA A 40 -1.811 1.815 6.195 1.00 0.00 N ATOM 544 CA ALA A 40 -1.416 0.709 5.331 1.00 0.00 C ATOM 545 C ALA A 40 -0.657 1.211 4.108 1.00 0.00 C ATOM 546 O ALA A 40 0.530 0.926 3.942 1.00 0.00 O ATOM 547 CB ALA A 40 -2.640 -0.089 4.905 1.00 0.00 C ATOM 0 H ALA A 40 -2.705 1.683 6.668 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.749 0.058 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.332 -0.912 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.140 -0.487 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.326 0.560 4.361 1.00 0.00 H new ATOM 553 N LEU A 41 -1.348 1.958 3.254 1.00 0.00 N ATOM 554 CA LEU A 41 -0.738 2.500 2.045 1.00 0.00 C ATOM 555 C LEU A 41 0.530 3.280 2.376 1.00 0.00 C ATOM 556 O LEU A 41 1.494 3.270 1.611 1.00 0.00 O ATOM 557 CB LEU A 41 -1.730 3.404 1.311 1.00 0.00 C ATOM 558 CG LEU A 41 -2.618 2.721 0.270 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.927 3.478 0.106 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.892 2.613 -1.063 1.00 0.00 C ATOM 0 H LEU A 41 -2.331 2.202 3.376 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.469 1.665 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.373 3.880 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.170 4.198 0.817 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.845 1.714 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.546 2.977 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.455 3.503 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.720 4.497 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.539 2.124 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.634 3.611 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.982 2.027 -0.935 1.00 0.00 H new ATOM 572 N CYS A 42 0.522 3.953 3.521 1.00 0.00 N ATOM 573 CA CYS A 42 1.672 4.737 3.955 1.00 0.00 C ATOM 574 C CYS A 42 2.870 3.837 4.235 1.00 0.00 C ATOM 575 O CYS A 42 3.951 4.034 3.680 1.00 0.00 O ATOM 576 CB CYS A 42 1.322 5.545 5.206 1.00 0.00 C ATOM 577 SG CYS A 42 -0.253 6.425 5.100 1.00 0.00 S ATOM 0 H CYS A 42 -0.268 3.971 4.166 1.00 0.00 H new ATOM 0 HA CYS A 42 1.937 5.423 3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.293 4.873 6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.117 6.267 5.394 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.188 5.599 4.736 1.00 0.00 H new ATOM 583 N ALA A 43 2.672 2.847 5.100 1.00 0.00 N ATOM 584 CA ALA A 43 3.736 1.916 5.454 1.00 0.00 C ATOM 585 C ALA A 43 4.342 1.277 4.208 1.00 0.00 C ATOM 586 O ALA A 43 5.561 1.147 4.095 1.00 0.00 O ATOM 587 CB ALA A 43 3.208 0.844 6.395 1.00 0.00 C ATOM 0 H ALA A 43 1.784 2.669 5.569 1.00 0.00 H new ATOM 0 HA ALA A 43 4.521 2.476 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.013 0.156 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.828 1.312 7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.403 0.295 5.906 1.00 0.00 H new ATOM 593 N LEU A 44 3.483 0.879 3.276 1.00 0.00 N ATOM 594 CA LEU A 44 3.934 0.252 2.038 1.00 0.00 C ATOM 595 C LEU A 44 4.854 1.186 1.259 1.00 0.00 C ATOM 596 O LEU A 44 5.911 0.774 0.778 1.00 0.00 O ATOM 597 CB LEU A 44 2.733 -0.137 1.174 1.00 0.00 C ATOM 598 CG LEU A 44 3.039 -0.479 -0.284 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.611 -1.884 -0.395 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.787 -0.343 -1.138 1.00 0.00 C ATOM 0 H LEU A 44 2.471 0.979 3.354 1.00 0.00 H new ATOM 0 HA LEU A 44 4.494 -0.647 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.244 -0.996 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.017 0.685 1.191 1.00 0.00 H new ATOM 0 HG LEU A 44 3.785 0.225 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.822 -2.109 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.532 -1.948 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.889 -2.603 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.024 -0.590 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.019 -1.023 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.420 0.682 -1.085 1.00 0.00 H new ATOM 612 N VAL A 45 4.449 2.446 1.141 1.00 0.00 N ATOM 613 CA VAL A 45 5.239 3.440 0.424 1.00 0.00 C ATOM 614 C VAL A 45 6.536 3.747 1.161 1.00 0.00 C ATOM 615 O VAL A 45 7.629 3.502 0.647 1.00 0.00 O ATOM 616 CB VAL A 45 4.450 4.748 0.227 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.308 5.788 -0.477 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.170 4.486 -0.551 1.00 0.00 C ATOM 0 H VAL A 45 3.578 2.803 1.533 1.00 0.00 H new ATOM 0 HA VAL A 45 5.472 3.015 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 45 4.178 5.139 1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.734 6.705 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.193 5.996 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.612 5.409 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.625 5.421 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.417 4.071 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.549 3.778 -0.002 1.00 0.00 H new ATOM 628 N TYR A 46 6.411 4.284 2.370 1.00 0.00 N ATOM 629 CA TYR A 46 7.574 4.628 3.178 1.00 0.00 C ATOM 630 C TYR A 46 8.615 3.513 3.136 1.00 0.00 C ATOM 631 O TYR A 46 9.755 3.728 2.724 1.00 0.00 O ATOM 632 CB TYR A 46 7.156 4.894 4.625 1.00 0.00 C ATOM 633 CG TYR A 46 6.454 6.219 4.818 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.067 7.411 4.449 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.181 6.281 5.370 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.431 8.625 4.624 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.537 7.491 5.547 1.00 0.00 C ATOM 638 CZ TYR A 46 5.166 8.659 5.174 1.00 0.00 C ATOM 639 OH TYR A 46 4.528 9.866 5.349 1.00 0.00 O ATOM 0 H TYR A 46 5.515 4.490 2.812 1.00 0.00 H new ATOM 0 HA TYR A 46 8.018 5.533 2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.498 4.092 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.041 4.865 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.057 7.388 4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.686 5.368 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.921 9.542 4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.546 7.521 5.975 1.00 0.00 H new ATOM 0 HH TYR A 46 4.230 10.208 4.480 1.00 0.00 H new ATOM 649 N ARG A 47 8.213 2.320 3.564 1.00 0.00 N ATOM 650 CA ARG A 47 9.110 1.170 3.576 1.00 0.00 C ATOM 651 C ARG A 47 9.767 0.980 2.213 1.00 0.00 C ATOM 652 O ARG A 47 10.991 1.041 2.087 1.00 0.00 O ATOM 653 CB ARG A 47 8.346 -0.095 3.968 1.00 0.00 C ATOM 654 CG ARG A 47 9.238 -1.203 4.506 1.00 0.00 C ATOM 655 CD ARG A 47 9.478 -1.049 5.999 1.00 0.00 C ATOM 656 NE ARG A 47 10.637 -0.205 6.282 1.00 0.00 N ATOM 657 CZ ARG A 47 11.893 -0.613 6.150 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.153 -1.848 5.741 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.894 0.213 6.428 1.00 0.00 N ATOM 0 H ARG A 47 7.272 2.125 3.907 1.00 0.00 H new ATOM 0 HA ARG A 47 9.891 1.357 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.602 0.159 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.804 -0.466 3.098 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.777 -2.171 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.192 -1.191 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.593 -0.618 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.627 -2.032 6.446 1.00 0.00 H new ATOM 0 HE ARG A 47 10.471 0.750 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.387 -2.486 5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.119 -2.159 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.699 1.163 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.859 -0.102 6.326 1.00 0.00 H new ATOM 673 N LEU A 48 8.947 0.748 1.194 1.00 0.00 N ATOM 674 CA LEU A 48 9.448 0.547 -0.162 1.00 0.00 C ATOM 675 C LEU A 48 10.691 1.393 -0.414 1.00 0.00 C ATOM 676 O LEU A 48 11.756 0.867 -0.739 1.00 0.00 O ATOM 677 CB LEU A 48 8.364 0.894 -1.184 1.00 0.00 C ATOM 678 CG LEU A 48 7.395 -0.233 -1.545 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.212 0.311 -2.330 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.111 -1.317 -2.339 1.00 0.00 C ATOM 0 H LEU A 48 7.932 0.694 1.281 1.00 0.00 H new ATOM 0 HA LEU A 48 9.718 -0.503 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.786 1.734 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.850 1.234 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 48 7.020 -0.674 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.534 -0.505 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.685 1.051 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.568 0.778 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.407 -2.111 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.514 -0.889 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.925 -1.728 -1.742 1.00 0.00 H new ATOM 692 N GLN A 49 10.548 2.706 -0.261 1.00 0.00 N ATOM 693 CA GLN A 49 11.660 3.624 -0.470 1.00 0.00 C ATOM 694 C GLN A 49 12.021 4.346 0.823 1.00 0.00 C ATOM 695 O GLN A 49 11.354 5.293 1.241 1.00 0.00 O ATOM 696 CB GLN A 49 11.311 4.643 -1.557 1.00 0.00 C ATOM 697 CG GLN A 49 12.510 5.101 -2.370 1.00 0.00 C ATOM 698 CD GLN A 49 13.313 6.179 -1.669 1.00 0.00 C ATOM 699 OE1 GLN A 49 14.508 6.016 -1.420 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.659 7.289 -1.347 1.00 0.00 N ATOM 0 H GLN A 49 9.673 3.157 0.007 1.00 0.00 H new ATOM 0 HA GLN A 49 12.523 3.041 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.573 4.206 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.845 5.512 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.155 4.246 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.168 5.477 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.669 7.381 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.147 8.050 -0.874 1.00 0.00 H new ATOM 709 N PRO A 50 13.101 3.891 1.475 1.00 0.00 N ATOM 710 CA PRO A 50 13.575 4.480 2.731 1.00 0.00 C ATOM 711 C PRO A 50 14.162 5.874 2.533 1.00 0.00 C ATOM 712 O PRO A 50 14.542 6.540 3.494 1.00 0.00 O ATOM 713 CB PRO A 50 14.661 3.505 3.192 1.00 0.00 C ATOM 714 CG PRO A 50 15.140 2.851 1.942 1.00 0.00 C ATOM 715 CD PRO A 50 13.944 2.766 1.034 1.00 0.00 C ATOM 0 HA PRO A 50 12.766 4.611 3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.471 4.027 3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.263 2.773 3.894 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.940 3.430 1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.543 1.860 2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.227 2.863 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.427 1.812 1.138 1.00 0.00 H new ATOM 723 N GLY A 51 14.232 6.309 1.278 1.00 0.00 N ATOM 724 CA GLY A 51 14.772 7.621 0.977 1.00 0.00 C ATOM 725 C GLY A 51 13.767 8.731 1.216 1.00 0.00 C ATOM 726 O GLY A 51 14.135 9.836 1.619 1.00 0.00 O ATOM 0 H GLY A 51 13.924 5.776 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.655 7.796 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.097 7.647 -0.063 1.00 0.00 H new ATOM 730 N LEU A 52 12.496 8.439 0.968 1.00 0.00 N ATOM 731 CA LEU A 52 11.433 9.421 1.157 1.00 0.00 C ATOM 732 C LEU A 52 11.270 9.770 2.633 1.00 0.00 C ATOM 733 O LEU A 52 11.637 8.987 3.510 1.00 0.00 O ATOM 734 CB LEU A 52 10.114 8.888 0.598 1.00 0.00 C ATOM 735 CG LEU A 52 9.893 9.080 -0.903 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.059 7.942 -1.470 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.227 10.420 -1.178 1.00 0.00 C ATOM 0 H LEU A 52 12.175 7.530 0.635 1.00 0.00 H new ATOM 0 HA LEU A 52 11.709 10.327 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.053 7.823 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.295 9.372 1.130 1.00 0.00 H new ATOM 0 HG LEU A 52 10.865 9.072 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.912 8.096 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.576 6.996 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.090 7.917 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.078 10.539 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.263 10.458 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.863 11.225 -0.809 1.00 0.00 H new ATOM 749 N LEU A 53 10.717 10.947 2.900 1.00 0.00 N ATOM 750 CA LEU A 53 10.502 11.399 4.270 1.00 0.00 C ATOM 751 C LEU A 53 9.791 10.328 5.091 1.00 0.00 C ATOM 752 O LEU A 53 9.520 9.233 4.599 1.00 0.00 O ATOM 753 CB LEU A 53 9.685 12.692 4.281 1.00 0.00 C ATOM 754 CG LEU A 53 8.225 12.566 3.847 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.084 11.536 2.737 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.345 12.198 5.033 1.00 0.00 C ATOM 0 H LEU A 53 10.409 11.607 2.186 1.00 0.00 H new ATOM 0 HA LEU A 53 11.476 11.589 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.709 13.105 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.176 13.414 3.629 1.00 0.00 H new ATOM 0 HG LEU A 53 7.897 13.532 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.038 11.460 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.682 11.842 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.431 10.566 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.309 12.113 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.674 11.245 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.421 12.972 5.797 1.00 0.00 H new ATOM 768 N GLU A 54 9.489 10.653 6.345 1.00 0.00 N ATOM 769 CA GLU A 54 8.807 9.719 7.233 1.00 0.00 C ATOM 770 C GLU A 54 7.428 10.245 7.621 1.00 0.00 C ATOM 771 O GLU A 54 7.135 11.435 7.505 1.00 0.00 O ATOM 772 CB GLU A 54 9.644 9.473 8.490 1.00 0.00 C ATOM 773 CG GLU A 54 10.639 8.334 8.346 1.00 0.00 C ATOM 774 CD GLU A 54 11.250 7.922 9.670 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.660 8.816 10.440 1.00 0.00 O ATOM 776 OE2 GLU A 54 11.320 6.704 9.938 1.00 0.00 O ATOM 0 H GLU A 54 9.706 11.555 6.768 1.00 0.00 H new ATOM 0 HA GLU A 54 8.680 8.777 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.184 10.386 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.976 9.258 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.140 7.475 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.433 8.634 7.662 1.00 0.00 H new ATOM 783 N PRO A 55 6.561 9.338 8.094 1.00 0.00 N ATOM 784 CA PRO A 55 5.199 9.686 8.508 1.00 0.00 C ATOM 785 C PRO A 55 5.177 10.516 9.787 1.00 0.00 C ATOM 786 O PRO A 55 4.111 10.819 10.325 1.00 0.00 O ATOM 787 CB PRO A 55 4.541 8.324 8.745 1.00 0.00 C ATOM 788 CG PRO A 55 5.671 7.406 9.060 1.00 0.00 C ATOM 789 CD PRO A 55 6.843 7.901 8.259 1.00 0.00 C ATOM 0 HA PRO A 55 4.690 10.297 7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.826 8.368 9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.994 7.990 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.896 7.415 10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.424 6.378 8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.785 7.734 8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.916 7.393 7.297 1.00 0.00 H new ATOM 797 N SER A 56 6.360 10.882 10.271 1.00 0.00 N ATOM 798 CA SER A 56 6.476 11.675 11.489 1.00 0.00 C ATOM 799 C SER A 56 5.298 12.633 11.627 1.00 0.00 C ATOM 800 O SER A 56 4.827 12.898 12.733 1.00 0.00 O ATOM 801 CB SER A 56 7.790 12.460 11.488 1.00 0.00 C ATOM 802 OG SER A 56 8.185 12.795 12.807 1.00 0.00 O ATOM 0 H SER A 56 7.252 10.642 9.838 1.00 0.00 H new ATOM 0 HA SER A 56 6.469 10.993 12.340 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.571 11.868 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.674 13.369 10.898 1.00 0.00 H new ATOM 0 HG SER A 56 9.028 13.295 12.779 1.00 0.00 H new ATOM 808 N GLU A 57 4.827 13.150 10.497 1.00 0.00 N ATOM 809 CA GLU A 57 3.704 14.080 10.493 1.00 0.00 C ATOM 810 C GLU A 57 2.378 13.332 10.390 1.00 0.00 C ATOM 811 O GLU A 57 1.407 13.668 11.070 1.00 0.00 O ATOM 812 CB GLU A 57 3.836 15.069 9.332 1.00 0.00 C ATOM 813 CG GLU A 57 5.134 15.858 9.349 1.00 0.00 C ATOM 814 CD GLU A 57 5.174 16.940 8.288 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.512 16.622 7.129 1.00 0.00 O ATOM 816 OE2 GLU A 57 4.866 18.104 8.617 1.00 0.00 O ATOM 0 H GLU A 57 5.205 12.941 9.573 1.00 0.00 H new ATOM 0 HA GLU A 57 3.718 14.631 11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.765 14.523 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.997 15.765 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.265 16.313 10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.971 15.176 9.199 1.00 0.00 H new ATOM 823 N LEU A 58 2.344 12.316 9.535 1.00 0.00 N ATOM 824 CA LEU A 58 1.138 11.519 9.340 1.00 0.00 C ATOM 825 C LEU A 58 0.618 10.985 10.671 1.00 0.00 C ATOM 826 O LEU A 58 -0.586 10.808 10.851 1.00 0.00 O ATOM 827 CB LEU A 58 1.419 10.357 8.386 1.00 0.00 C ATOM 828 CG LEU A 58 1.231 10.650 6.897 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.233 11.693 6.428 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.366 9.373 6.080 1.00 0.00 C ATOM 0 H LEU A 58 3.138 12.024 8.965 1.00 0.00 H new ATOM 0 HA LEU A 58 0.374 12.162 8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.445 10.024 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.769 9.525 8.657 1.00 0.00 H new ATOM 0 HG LEU A 58 0.227 11.047 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.084 11.889 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.089 12.615 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.246 11.324 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.229 9.601 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.357 8.946 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.609 8.656 6.397 1.00 0.00 H new ATOM 842 N GLN A 59 1.534 10.732 11.600 1.00 0.00 N ATOM 843 CA GLN A 59 1.169 10.220 12.914 1.00 0.00 C ATOM 844 C GLN A 59 -0.028 10.978 13.481 1.00 0.00 C ATOM 845 O GLN A 59 -1.041 10.381 13.839 1.00 0.00 O ATOM 846 CB GLN A 59 2.354 10.324 13.875 1.00 0.00 C ATOM 847 CG GLN A 59 3.377 9.212 13.703 1.00 0.00 C ATOM 848 CD GLN A 59 2.804 7.842 14.004 1.00 0.00 C ATOM 849 OE1 GLN A 59 1.945 7.692 14.874 1.00 0.00 O ATOM 850 NE2 GLN A 59 3.278 6.831 13.286 1.00 0.00 N ATOM 0 H GLN A 59 2.535 10.874 11.466 1.00 0.00 H new ATOM 0 HA GLN A 59 0.893 9.171 12.802 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.847 11.285 13.728 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.982 10.309 14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.756 9.227 12.681 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.226 9.399 14.361 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.990 7.000 12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.931 5.885 13.445 1.00 0.00 H new ATOM 859 N GLY A 60 0.098 12.300 13.558 1.00 0.00 N ATOM 860 CA GLY A 60 -0.979 13.119 14.081 1.00 0.00 C ATOM 861 C GLY A 60 -1.692 13.902 12.996 1.00 0.00 C ATOM 862 O GLY A 60 -1.796 15.127 13.071 1.00 0.00 O ATOM 0 H GLY A 60 0.927 12.818 13.267 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.698 12.482 14.597 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.578 13.812 14.821 1.00 0.00 H new ATOM 866 N LEU A 61 -2.182 13.195 11.984 1.00 0.00 N ATOM 867 CA LEU A 61 -2.888 13.833 10.877 1.00 0.00 C ATOM 868 C LEU A 61 -4.341 13.372 10.821 1.00 0.00 C ATOM 869 O LEU A 61 -5.256 14.133 11.130 1.00 0.00 O ATOM 870 CB LEU A 61 -2.190 13.518 9.553 1.00 0.00 C ATOM 871 CG LEU A 61 -1.099 14.498 9.119 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.507 14.082 7.782 1.00 0.00 C ATOM 873 CD2 LEU A 61 -1.654 15.914 9.042 1.00 0.00 C ATOM 0 H LEU A 61 -2.104 12.181 11.906 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.874 14.910 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.749 12.524 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.945 13.476 8.768 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.304 14.480 9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.267 14.792 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.072 13.086 7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.291 14.069 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.864 16.598 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.468 15.947 8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.028 16.212 10.022 1.00 0.00 H new ATOM 885 N GLY A 62 -4.544 12.119 10.425 1.00 0.00 N ATOM 886 CA GLY A 62 -5.888 11.577 10.338 1.00 0.00 C ATOM 887 C GLY A 62 -5.961 10.346 9.459 1.00 0.00 C ATOM 888 O GLY A 62 -5.089 10.121 8.620 1.00 0.00 O ATOM 0 H GLY A 62 -3.802 11.470 10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.241 11.327 11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.559 12.340 9.945 1.00 0.00 H new ATOM 892 N ALA A 63 -7.002 9.543 9.651 1.00 0.00 N ATOM 893 CA ALA A 63 -7.185 8.328 8.869 1.00 0.00 C ATOM 894 C ALA A 63 -7.171 8.629 7.374 1.00 0.00 C ATOM 895 O ALA A 63 -6.631 7.856 6.580 1.00 0.00 O ATOM 896 CB ALA A 63 -8.487 7.641 9.257 1.00 0.00 C ATOM 0 H ALA A 63 -7.732 9.713 10.343 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.353 7.658 9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.611 6.734 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.460 7.382 10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.324 8.314 9.069 1.00 0.00 H new ATOM 902 N LEU A 64 -7.765 9.755 6.996 1.00 0.00 N ATOM 903 CA LEU A 64 -7.821 10.159 5.595 1.00 0.00 C ATOM 904 C LEU A 64 -6.546 10.892 5.190 1.00 0.00 C ATOM 905 O LEU A 64 -5.940 10.581 4.165 1.00 0.00 O ATOM 906 CB LEU A 64 -9.038 11.052 5.349 1.00 0.00 C ATOM 907 CG LEU A 64 -9.659 10.969 3.955 1.00 0.00 C ATOM 908 CD1 LEU A 64 -10.075 9.541 3.640 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.851 11.910 3.846 1.00 0.00 C ATOM 0 H LEU A 64 -8.215 10.405 7.640 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.911 9.260 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.804 10.799 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.749 12.086 5.535 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.910 11.277 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.515 9.502 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.201 8.891 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.808 9.205 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.281 11.838 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.602 11.633 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.524 12.934 4.027 1.00 0.00 H new ATOM 921 N GLU A 65 -6.145 11.865 6.001 1.00 0.00 N ATOM 922 CA GLU A 65 -4.942 12.642 5.727 1.00 0.00 C ATOM 923 C GLU A 65 -3.798 11.733 5.283 1.00 0.00 C ATOM 924 O GLU A 65 -3.004 12.096 4.416 1.00 0.00 O ATOM 925 CB GLU A 65 -4.526 13.436 6.966 1.00 0.00 C ATOM 926 CG GLU A 65 -5.425 14.626 7.256 1.00 0.00 C ATOM 927 CD GLU A 65 -5.305 15.716 6.208 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.439 16.601 6.368 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.078 15.683 5.228 1.00 0.00 O ATOM 0 H GLU A 65 -6.636 12.134 6.854 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.166 13.338 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.527 12.772 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.503 13.788 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.461 14.290 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.173 15.037 8.233 1.00 0.00 H new ATOM 936 N ALA A 66 -3.722 10.552 5.886 1.00 0.00 N ATOM 937 CA ALA A 66 -2.677 9.592 5.553 1.00 0.00 C ATOM 938 C ALA A 66 -2.775 9.156 4.095 1.00 0.00 C ATOM 939 O ALA A 66 -1.946 9.534 3.266 1.00 0.00 O ATOM 940 CB ALA A 66 -2.760 8.382 6.474 1.00 0.00 C ATOM 0 H ALA A 66 -4.371 10.237 6.607 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.712 10.079 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.974 7.673 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.633 8.702 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.733 7.904 6.359 1.00 0.00 H new ATOM 946 N THR A 67 -3.793 8.358 3.787 1.00 0.00 N ATOM 947 CA THR A 67 -3.998 7.870 2.429 1.00 0.00 C ATOM 948 C THR A 67 -3.631 8.934 1.402 1.00 0.00 C ATOM 949 O THR A 67 -3.086 8.626 0.342 1.00 0.00 O ATOM 950 CB THR A 67 -5.460 7.437 2.203 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.858 6.512 3.221 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.627 6.796 0.834 1.00 0.00 C ATOM 0 H THR A 67 -4.488 8.036 4.460 1.00 0.00 H new ATOM 0 HA THR A 67 -3.346 7.006 2.301 1.00 0.00 H new ATOM 0 HB THR A 67 -6.092 8.324 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.788 6.242 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.666 6.498 0.696 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.349 7.512 0.061 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.985 5.918 0.763 1.00 0.00 H new ATOM 960 N ALA A 68 -3.933 10.189 1.722 1.00 0.00 N ATOM 961 CA ALA A 68 -3.632 11.299 0.826 1.00 0.00 C ATOM 962 C ALA A 68 -2.160 11.298 0.427 1.00 0.00 C ATOM 963 O ALA A 68 -1.829 11.305 -0.759 1.00 0.00 O ATOM 964 CB ALA A 68 -4.002 12.621 1.482 1.00 0.00 C ATOM 0 H ALA A 68 -4.386 10.462 2.594 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.227 11.176 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.772 13.441 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.068 12.628 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.432 12.742 2.403 1.00 0.00 H new ATOM 970 N TRP A 69 -1.281 11.292 1.423 1.00 0.00 N ATOM 971 CA TRP A 69 0.156 11.291 1.174 1.00 0.00 C ATOM 972 C TRP A 69 0.570 10.056 0.382 1.00 0.00 C ATOM 973 O TRP A 69 1.103 10.166 -0.722 1.00 0.00 O ATOM 974 CB TRP A 69 0.923 11.344 2.497 1.00 0.00 C ATOM 975 CG TRP A 69 2.403 11.178 2.332 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.323 12.168 2.136 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.134 9.946 2.347 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.581 11.626 2.028 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.492 10.264 2.155 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.772 8.605 2.506 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.487 9.292 2.118 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.761 7.640 2.469 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.104 7.987 2.276 1.00 0.00 C ATOM 0 H TRP A 69 -1.538 11.288 2.410 1.00 0.00 H new ATOM 0 HA TRP A 69 0.399 12.176 0.585 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.724 12.297 2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.548 10.562 3.158 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.095 13.222 2.075 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.442 12.152 1.878 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.739 8.328 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.523 9.557 1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.493 6.601 2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.853 7.209 2.251 1.00 0.00 H new ATOM 994 N ALA A 70 0.324 8.881 0.952 1.00 0.00 N ATOM 995 CA ALA A 70 0.670 7.626 0.297 1.00 0.00 C ATOM 996 C ALA A 70 0.406 7.699 -1.203 1.00 0.00 C ATOM 997 O ALA A 70 1.302 7.460 -2.014 1.00 0.00 O ATOM 998 CB ALA A 70 -0.109 6.476 0.916 1.00 0.00 C ATOM 0 H ALA A 70 -0.114 8.772 1.867 1.00 0.00 H new ATOM 0 HA ALA A 70 1.736 7.450 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.159 5.545 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.132 6.402 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.178 6.656 0.799 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.827 8.030 -1.567 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.209 8.134 -2.971 1.00 0.00 C ATOM 1006 C LEU A 71 -0.351 9.167 -3.694 1.00 0.00 C ATOM 1007 O LEU A 71 -0.091 9.046 -4.891 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.688 8.509 -3.092 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.689 7.370 -2.891 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.077 7.922 -2.610 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.711 6.460 -4.111 1.00 0.00 C ATOM 0 H LEU A 71 -1.580 8.231 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.047 7.163 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.905 9.289 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.853 8.941 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.374 6.782 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.775 7.097 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.050 8.532 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.402 8.534 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.428 5.655 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.002 7.036 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.719 6.036 -4.267 1.00 0.00 H new ATOM 1023 N LYS A 72 0.090 10.182 -2.959 1.00 0.00 N ATOM 1024 CA LYS A 72 0.923 11.234 -3.528 1.00 0.00 C ATOM 1025 C LYS A 72 2.340 10.731 -3.778 1.00 0.00 C ATOM 1026 O LYS A 72 2.754 10.556 -4.925 1.00 0.00 O ATOM 1027 CB LYS A 72 0.959 12.446 -2.593 1.00 0.00 C ATOM 1028 CG LYS A 72 1.420 13.724 -3.271 1.00 0.00 C ATOM 1029 CD LYS A 72 1.459 14.890 -2.297 1.00 0.00 C ATOM 1030 CE LYS A 72 0.077 15.491 -2.091 1.00 0.00 C ATOM 1031 NZ LYS A 72 -0.806 14.592 -1.298 1.00 0.00 N ATOM 0 H LYS A 72 -0.116 10.298 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 72 0.488 11.531 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.036 12.604 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.623 12.229 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.411 13.573 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.749 13.961 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.857 14.553 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.138 15.656 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.170 16.450 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.381 15.688 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.382 15.160 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.430 14.064 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.223 13.924 -0.755 1.00 0.00 H new ATOM 1045 N VAL A 73 3.080 10.496 -2.699 1.00 0.00 N ATOM 1046 CA VAL A 73 4.451 10.010 -2.802 1.00 0.00 C ATOM 1047 C VAL A 73 4.538 8.805 -3.733 1.00 0.00 C ATOM 1048 O VAL A 73 5.566 8.568 -4.365 1.00 0.00 O ATOM 1049 CB VAL A 73 5.014 9.620 -1.423 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.321 8.858 -1.575 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.205 10.857 -0.558 1.00 0.00 C ATOM 0 H VAL A 73 2.753 10.634 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 73 5.046 10.826 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 73 4.296 8.965 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.703 8.591 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.148 7.951 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.050 9.484 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.604 10.564 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.902 11.538 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.246 11.357 -0.421 1.00 0.00 H new ATOM 1061 N ALA A 74 3.449 8.046 -3.813 1.00 0.00 N ATOM 1062 CA ALA A 74 3.400 6.867 -4.668 1.00 0.00 C ATOM 1063 C ALA A 74 3.272 7.259 -6.136 1.00 0.00 C ATOM 1064 O ALA A 74 3.889 6.646 -7.007 1.00 0.00 O ATOM 1065 CB ALA A 74 2.247 5.964 -4.258 1.00 0.00 C ATOM 0 H ALA A 74 2.589 8.227 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 74 4.335 6.321 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.223 5.088 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.383 5.647 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.308 6.509 -4.350 1.00 0.00 H new ATOM 1071 N GLU A 75 2.467 8.282 -6.402 1.00 0.00 N ATOM 1072 CA GLU A 75 2.257 8.754 -7.766 1.00 0.00 C ATOM 1073 C GLU A 75 3.407 9.650 -8.216 1.00 0.00 C ATOM 1074 O GLU A 75 3.567 9.923 -9.403 1.00 0.00 O ATOM 1075 CB GLU A 75 0.933 9.514 -7.868 1.00 0.00 C ATOM 1076 CG GLU A 75 0.596 9.960 -9.282 1.00 0.00 C ATOM 1077 CD GLU A 75 1.376 11.188 -9.708 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.825 11.944 -8.821 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.536 11.394 -10.930 1.00 0.00 O ATOM 0 H GLU A 75 1.950 8.800 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 75 2.220 7.884 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.129 8.879 -7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.975 10.389 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.803 9.145 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.471 10.171 -9.348 1.00 0.00 H new ATOM 1086 N ASN A 76 4.206 10.103 -7.254 1.00 0.00 N ATOM 1087 CA ASN A 76 5.342 10.969 -7.550 1.00 0.00 C ATOM 1088 C ASN A 76 6.634 10.163 -7.635 1.00 0.00 C ATOM 1089 O ASN A 76 7.261 10.086 -8.690 1.00 0.00 O ATOM 1090 CB ASN A 76 5.474 12.054 -6.480 1.00 0.00 C ATOM 1091 CG ASN A 76 4.535 13.222 -6.722 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.382 13.686 -7.851 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.902 13.700 -5.657 1.00 0.00 N ATOM 0 H ASN A 76 4.088 9.885 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 76 5.165 11.440 -8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.267 11.622 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.502 12.416 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.257 14.484 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.060 13.283 -4.740 1.00 0.00 H new ATOM 1100 N GLU A 77 7.025 9.563 -6.514 1.00 0.00 N ATOM 1101 CA GLU A 77 8.242 8.762 -6.462 1.00 0.00 C ATOM 1102 C GLU A 77 8.052 7.434 -7.189 1.00 0.00 C ATOM 1103 O GLU A 77 8.695 7.171 -8.206 1.00 0.00 O ATOM 1104 CB GLU A 77 8.650 8.507 -5.010 1.00 0.00 C ATOM 1105 CG GLU A 77 9.586 9.563 -4.446 1.00 0.00 C ATOM 1106 CD GLU A 77 10.751 9.862 -5.370 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.705 9.058 -5.400 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.708 10.900 -6.062 1.00 0.00 O ATOM 0 H GLU A 77 6.517 9.617 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 77 9.034 9.320 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.753 8.461 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.133 7.532 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.026 10.480 -4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.968 9.227 -3.482 1.00 0.00 H new ATOM 1115 N LEU A 78 7.164 6.599 -6.660 1.00 0.00 N ATOM 1116 CA LEU A 78 6.887 5.297 -7.256 1.00 0.00 C ATOM 1117 C LEU A 78 6.213 5.453 -8.616 1.00 0.00 C ATOM 1118 O LEU A 78 6.299 4.570 -9.468 1.00 0.00 O ATOM 1119 CB LEU A 78 6.002 4.466 -6.327 1.00 0.00 C ATOM 1120 CG LEU A 78 6.376 4.489 -4.845 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.418 3.626 -4.039 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.811 4.021 -4.650 1.00 0.00 C ATOM 0 H LEU A 78 6.623 6.801 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 78 7.836 4.781 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.975 4.816 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.021 3.431 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 78 6.297 5.515 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.700 3.655 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.403 4.006 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.464 2.598 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.060 4.044 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.916 3.003 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.486 4.680 -5.195 1.00 0.00 H new ATOM 1134 N GLY A 79 5.542 6.584 -8.811 1.00 0.00 N ATOM 1135 CA GLY A 79 4.864 6.837 -10.069 1.00 0.00 C ATOM 1136 C GLY A 79 3.638 5.965 -10.253 1.00 0.00 C ATOM 1137 O GLY A 79 3.090 5.875 -11.352 1.00 0.00 O ATOM 0 H GLY A 79 5.456 7.330 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.570 7.886 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.556 6.663 -10.893 1.00 0.00 H new ATOM 1141 N ILE A 80 3.208 5.317 -9.175 1.00 0.00 N ATOM 1142 CA ILE A 80 2.040 4.447 -9.222 1.00 0.00 C ATOM 1143 C ILE A 80 0.752 5.260 -9.298 1.00 0.00 C ATOM 1144 O ILE A 80 0.175 5.629 -8.274 1.00 0.00 O ATOM 1145 CB ILE A 80 1.977 3.521 -7.994 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.238 2.657 -7.915 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.733 2.648 -8.051 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.365 1.669 -9.053 1.00 0.00 C ATOM 0 H ILE A 80 3.651 5.378 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 80 2.137 3.838 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 80 1.923 4.136 -7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.114 3.306 -7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.237 2.113 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.703 1.999 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.155 3.280 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.758 2.038 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.281 1.091 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.508 0.996 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.398 2.207 -10.000 1.00 0.00 H new ATOM 1160 N THR A 81 0.303 5.536 -10.519 1.00 0.00 N ATOM 1161 CA THR A 81 -0.918 6.304 -10.728 1.00 0.00 C ATOM 1162 C THR A 81 -2.017 5.865 -9.767 1.00 0.00 C ATOM 1163 O THR A 81 -2.308 4.677 -9.621 1.00 0.00 O ATOM 1164 CB THR A 81 -1.429 6.161 -12.175 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.506 6.772 -13.083 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.800 6.803 -12.330 1.00 0.00 C ATOM 0 H THR A 81 0.767 5.239 -11.378 1.00 0.00 H new ATOM 0 HA THR A 81 -0.671 7.348 -10.538 1.00 0.00 H new ATOM 0 HB THR A 81 -1.514 5.099 -12.404 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.837 6.675 -14.000 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.140 6.690 -13.359 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.507 6.317 -11.658 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.735 7.863 -12.084 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.642 6.843 -9.096 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.721 6.581 -8.138 1.00 0.00 C ATOM 1176 C PRO A 82 -4.996 6.098 -8.819 1.00 0.00 C ATOM 1177 O PRO A 82 -5.780 6.899 -9.329 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.948 7.944 -7.480 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.485 8.935 -8.490 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.346 8.280 -9.221 1.00 0.00 C ATOM 0 HA PRO A 82 -3.459 5.791 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.999 8.093 -7.232 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.385 8.034 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.290 9.197 -9.177 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.161 9.859 -8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.305 8.593 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.384 8.532 -8.775 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.199 4.784 -8.823 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.381 4.195 -9.439 1.00 0.00 C ATOM 1190 C VAL A 83 -7.618 4.411 -8.574 1.00 0.00 C ATOM 1191 O VAL A 83 -8.737 4.486 -9.080 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.194 2.685 -9.681 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.437 1.905 -8.398 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.120 2.206 -10.789 1.00 0.00 C ATOM 0 H VAL A 83 -4.559 4.108 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.521 4.695 -10.398 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.165 2.509 -9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.301 0.840 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.730 2.231 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.455 2.084 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.975 1.137 -10.947 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.155 2.394 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.894 2.743 -11.710 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.408 4.510 -7.265 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.505 4.719 -6.329 1.00 0.00 C ATOM 1206 C VAL A 84 -8.366 6.056 -5.608 1.00 0.00 C ATOM 1207 O VAL A 84 -7.260 6.566 -5.432 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.574 3.590 -5.283 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.612 3.911 -4.218 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.879 2.260 -5.954 1.00 0.00 C ATOM 0 H VAL A 84 -6.488 4.449 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.424 4.719 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.602 3.510 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.646 3.102 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.344 4.841 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.591 4.020 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.924 1.474 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.837 2.324 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.095 2.027 -6.674 1.00 0.00 H new ATOM 1220 N SER A 85 -9.497 6.619 -5.194 1.00 0.00 N ATOM 1221 CA SER A 85 -9.502 7.899 -4.495 1.00 0.00 C ATOM 1222 C SER A 85 -9.296 7.701 -2.997 1.00 0.00 C ATOM 1223 O SER A 85 -10.004 6.922 -2.360 1.00 0.00 O ATOM 1224 CB SER A 85 -10.818 8.637 -4.748 1.00 0.00 C ATOM 1225 OG SER A 85 -11.896 7.998 -4.084 1.00 0.00 O ATOM 0 H SER A 85 -10.421 6.209 -5.330 1.00 0.00 H new ATOM 0 HA SER A 85 -8.678 8.499 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.733 9.667 -4.403 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.017 8.675 -5.819 1.00 0.00 H new ATOM 0 HG SER A 85 -12.726 8.489 -4.260 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.322 8.413 -2.441 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.024 8.319 -1.017 1.00 0.00 C ATOM 1233 C ALA A 86 -9.295 8.101 -0.202 1.00 0.00 C ATOM 1234 O ALA A 86 -9.310 7.312 0.741 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.299 9.570 -0.545 1.00 0.00 C ATOM 0 H ALA A 86 -7.726 9.062 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.374 7.457 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.083 9.485 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.365 9.680 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.928 10.443 -0.719 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.357 8.808 -0.574 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.632 8.693 0.124 1.00 0.00 C ATOM 1243 C GLN A 87 -12.185 7.276 0.018 1.00 0.00 C ATOM 1244 O GLN A 87 -12.568 6.672 1.020 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.642 9.691 -0.447 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.942 9.757 0.339 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.096 10.291 -0.488 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.043 10.297 -1.717 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.148 10.742 0.186 1.00 0.00 N ATOM 0 H GLN A 87 -10.360 9.466 -1.354 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.463 8.920 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.189 10.682 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.864 9.420 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.192 8.761 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.802 10.392 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.149 10.718 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.955 11.112 -0.316 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.224 6.751 -1.202 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.728 5.403 -1.437 1.00 0.00 C ATOM 1260 C ALA A 88 -11.983 4.381 -0.585 1.00 0.00 C ATOM 1261 O ALA A 88 -12.596 3.515 0.040 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.612 5.047 -2.913 1.00 0.00 C ATOM 0 H ALA A 88 -11.913 7.238 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.779 5.379 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.992 4.038 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.195 5.753 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.567 5.094 -3.218 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.658 4.489 -0.563 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.831 3.574 0.214 1.00 0.00 C ATOM 1270 C VAL A 89 -10.318 3.480 1.655 1.00 0.00 C ATOM 1271 O VAL A 89 -10.606 2.392 2.155 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.354 4.012 0.211 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.523 3.096 1.095 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.809 4.036 -1.209 1.00 0.00 C ATOM 0 H VAL A 89 -10.135 5.200 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.914 2.595 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.292 5.022 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.483 3.421 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.901 3.135 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.589 2.074 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.765 4.348 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.884 3.039 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.388 4.738 -1.809 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.411 4.628 2.319 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.866 4.677 3.703 1.00 0.00 C ATOM 1286 C VAL A 90 -12.324 4.246 3.818 1.00 0.00 C ATOM 1287 O VAL A 90 -12.664 3.374 4.616 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.711 6.090 4.295 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.143 6.107 5.754 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.276 6.574 4.150 1.00 0.00 C ATOM 0 H VAL A 90 -10.177 5.537 1.920 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.240 3.985 4.267 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.357 6.771 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.027 7.113 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.188 5.805 5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.524 5.415 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.185 7.574 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.608 5.894 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.006 6.601 3.094 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.183 4.864 3.013 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.604 4.543 3.022 1.00 0.00 C ATOM 1302 C ALA A 91 -14.837 3.069 2.706 1.00 0.00 C ATOM 1303 O ALA A 91 -15.946 2.560 2.856 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.350 5.422 2.028 1.00 0.00 C ATOM 0 H ALA A 91 -12.919 5.590 2.347 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.988 4.738 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.411 5.171 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.220 6.470 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.954 5.255 1.026 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.782 2.389 2.266 1.00 0.00 N ATOM 1311 CA GLY A 92 -13.893 0.981 1.936 1.00 0.00 C ATOM 1312 C GLY A 92 -15.073 0.689 1.031 1.00 0.00 C ATOM 1313 O GLY A 92 -15.504 -0.458 0.911 1.00 0.00 O ATOM 0 H GLY A 92 -12.853 2.789 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.975 0.652 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.992 0.402 2.854 1.00 0.00 H new ATOM 1317 N SER A 93 -15.600 1.729 0.393 1.00 0.00 N ATOM 1318 CA SER A 93 -16.742 1.580 -0.501 1.00 0.00 C ATOM 1319 C SER A 93 -16.336 0.865 -1.786 1.00 0.00 C ATOM 1320 O SER A 93 -17.136 0.153 -2.392 1.00 0.00 O ATOM 1321 CB SER A 93 -17.339 2.949 -0.833 1.00 0.00 C ATOM 1322 OG SER A 93 -17.587 3.697 0.345 1.00 0.00 O ATOM 0 H SER A 93 -15.254 2.685 0.479 1.00 0.00 H new ATOM 0 HA SER A 93 -17.494 0.977 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.656 3.500 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.268 2.819 -1.387 1.00 0.00 H new ATOM 0 HG SER A 93 -17.967 4.568 0.105 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.087 1.061 -2.195 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.572 0.434 -3.407 1.00 0.00 C ATOM 1330 C ASP A 94 -13.426 -0.518 -3.082 1.00 0.00 C ATOM 1331 O ASP A 94 -12.252 -0.147 -3.109 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.102 1.501 -4.398 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.149 2.570 -4.639 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.118 2.295 -5.377 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.000 3.682 -4.089 1.00 0.00 O ATOM 0 H ASP A 94 -14.413 1.649 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.379 -0.141 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.192 1.967 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.848 1.026 -5.345 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.771 -1.775 -2.767 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.785 -2.806 -2.430 1.00 0.00 C ATOM 1342 C PRO A 95 -11.957 -3.232 -3.637 1.00 0.00 C ATOM 1343 O PRO A 95 -10.754 -3.471 -3.525 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.646 -3.971 -1.934 1.00 0.00 C ATOM 1345 CG PRO A 95 -14.966 -3.774 -2.594 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.151 -2.287 -2.716 1.00 0.00 C ATOM 0 HA PRO A 95 -12.059 -2.452 -1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.207 -4.931 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.741 -3.959 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.987 -4.251 -3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.767 -4.220 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.711 -2.024 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.700 -1.879 -1.867 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.607 -3.325 -4.791 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.929 -3.722 -6.021 1.00 0.00 C ATOM 1356 C LEU A 96 -10.827 -2.731 -6.381 1.00 0.00 C ATOM 1357 O LEU A 96 -9.703 -3.122 -6.692 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.933 -3.823 -7.170 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.776 -5.099 -7.215 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.062 -4.917 -6.423 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.083 -5.485 -8.654 1.00 0.00 C ATOM 0 H LEU A 96 -13.602 -3.131 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.474 -4.699 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.607 -2.968 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.388 -3.738 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.204 -5.906 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.649 -5.835 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.821 -4.689 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.639 -4.097 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.683 -6.395 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.635 -4.679 -9.137 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.150 -5.658 -9.191 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.157 -1.443 -6.332 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.184 -0.416 -6.653 1.00 0.00 C ATOM 1375 C GLY A 97 -8.868 -0.618 -5.929 1.00 0.00 C ATOM 1376 O GLY A 97 -7.821 -0.775 -6.561 1.00 0.00 O ATOM 0 H GLY A 97 -12.080 -1.094 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.007 -0.411 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.592 0.561 -6.393 1.00 0.00 H new ATOM 1380 N LEU A 98 -8.917 -0.613 -4.602 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.718 -0.795 -3.790 1.00 0.00 C ATOM 1382 C LEU A 98 -6.920 -2.006 -4.264 1.00 0.00 C ATOM 1383 O LEU A 98 -5.745 -1.887 -4.615 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.096 -0.963 -2.318 1.00 0.00 C ATOM 1385 CG LEU A 98 -6.943 -1.265 -1.359 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -5.923 -0.137 -1.381 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.467 -1.486 0.052 1.00 0.00 C ATOM 0 H LEU A 98 -9.774 -0.485 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.096 0.093 -3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.590 -0.051 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.827 -1.768 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.450 -2.180 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.110 -0.368 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.525 -0.026 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.403 0.793 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.633 -1.700 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.985 -0.589 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.159 -2.328 0.055 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.565 -3.166 -4.274 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.916 -4.397 -4.708 1.00 0.00 C ATOM 1401 C ILE A 99 -6.112 -4.174 -5.984 1.00 0.00 C ATOM 1402 O ILE A 99 -4.969 -4.617 -6.095 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.942 -5.520 -4.951 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.679 -5.856 -3.654 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.252 -6.755 -5.512 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.966 -6.620 -3.871 1.00 0.00 C ATOM 0 H ILE A 99 -8.537 -3.280 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.243 -4.699 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.673 -5.174 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.021 -6.443 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.900 -4.931 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.990 -7.540 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.769 -6.505 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.502 -7.106 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.435 -6.824 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.643 -6.026 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.750 -7.561 -4.376 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.715 -3.482 -6.945 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.054 -3.195 -8.211 1.00 0.00 C ATOM 1420 C ALA A 100 -4.891 -2.227 -8.017 1.00 0.00 C ATOM 1421 O ALA A 100 -3.806 -2.428 -8.563 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.051 -2.632 -9.212 1.00 0.00 C ATOM 0 H ALA A 100 -7.662 -3.110 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.652 -4.130 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.543 -2.422 -10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.845 -3.359 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.481 -1.711 -8.819 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.126 -1.177 -7.238 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.099 -0.177 -6.975 1.00 0.00 C ATOM 1430 C TYR A 101 -2.810 -0.833 -6.489 1.00 0.00 C ATOM 1431 O TYR A 101 -1.741 -0.636 -7.070 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.594 0.832 -5.936 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.659 2.004 -5.736 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.124 2.684 -6.824 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.311 2.430 -4.462 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.269 3.754 -6.647 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.459 3.501 -4.275 1.00 0.00 C ATOM 1438 CZ TYR A 101 -1.939 4.159 -5.370 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.088 5.225 -5.188 1.00 0.00 O ATOM 0 H TYR A 101 -6.018 -0.997 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.890 0.345 -7.909 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.571 1.206 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.732 0.321 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.381 2.370 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.713 1.915 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.861 4.271 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.201 3.822 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.637 5.432 -6.033 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.917 -1.614 -5.422 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.762 -2.302 -4.856 1.00 0.00 C ATOM 1451 C LEU A 102 -1.023 -3.096 -5.928 1.00 0.00 C ATOM 1452 O LEU A 102 0.196 -2.984 -6.069 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.202 -3.235 -3.726 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.987 -2.586 -2.587 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.453 -3.639 -1.593 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.142 -1.530 -1.890 1.00 0.00 C ATOM 0 H LEU A 102 -3.793 -1.788 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.083 -1.550 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.813 -4.029 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.314 -3.707 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.866 -2.099 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.010 -3.159 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.095 -4.359 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.588 -4.155 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.718 -1.079 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.244 -1.994 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.858 -0.760 -2.607 1.00 0.00 H new ATOM 1468 N SER A 103 -1.767 -3.896 -6.685 1.00 0.00 N ATOM 1469 CA SER A 103 -1.182 -4.710 -7.744 1.00 0.00 C ATOM 1470 C SER A 103 -0.063 -3.954 -8.453 1.00 0.00 C ATOM 1471 O SER A 103 1.000 -4.511 -8.729 1.00 0.00 O ATOM 1472 CB SER A 103 -2.257 -5.119 -8.753 1.00 0.00 C ATOM 1473 OG SER A 103 -1.825 -6.217 -9.540 1.00 0.00 O ATOM 0 H SER A 103 -2.777 -3.998 -6.584 1.00 0.00 H new ATOM 0 HA SER A 103 -0.760 -5.607 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.174 -5.383 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.494 -4.274 -9.400 1.00 0.00 H new ATOM 0 HG SER A 103 -2.530 -6.461 -10.176 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.311 -2.681 -8.748 1.00 0.00 N ATOM 1480 CA HIS A 104 0.676 -1.848 -9.426 1.00 0.00 C ATOM 1481 C HIS A 104 1.992 -1.827 -8.654 1.00 0.00 C ATOM 1482 O HIS A 104 3.069 -1.952 -9.238 1.00 0.00 O ATOM 1483 CB HIS A 104 0.145 -0.423 -9.590 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.071 -0.334 -10.458 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.356 0.763 -11.245 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.079 -1.214 -10.664 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.487 0.554 -11.894 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.946 -0.639 -11.561 1.00 0.00 N ATOM 0 H HIS A 104 -1.186 -2.205 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 104 0.860 -2.275 -10.412 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.090 -0.016 -8.606 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.931 0.202 -10.014 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.182 -2.187 -10.208 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.957 1.242 -12.581 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.804 -1.064 -11.913 1.00 0.00 H new ATOM 1497 N PHE A 105 1.898 -1.668 -7.338 1.00 0.00 N ATOM 1498 CA PHE A 105 3.081 -1.630 -6.486 1.00 0.00 C ATOM 1499 C PHE A 105 3.892 -2.915 -6.623 1.00 0.00 C ATOM 1500 O PHE A 105 5.028 -2.898 -7.099 1.00 0.00 O ATOM 1501 CB PHE A 105 2.677 -1.421 -5.025 1.00 0.00 C ATOM 1502 CG PHE A 105 2.254 -0.014 -4.715 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.030 0.468 -5.148 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.082 0.829 -3.990 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.638 1.762 -4.865 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.695 2.124 -3.702 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.472 2.592 -4.142 1.00 0.00 C ATOM 0 H PHE A 105 1.015 -1.563 -6.838 1.00 0.00 H new ATOM 0 HA PHE A 105 3.702 -0.794 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.859 -2.099 -4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.516 -1.690 -4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.374 -0.176 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.041 0.469 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.320 2.124 -5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.348 2.770 -3.133 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.169 3.605 -3.921 1.00 0.00 H new ATOM 1517 N HIS A 106 3.301 -4.028 -6.201 1.00 0.00 N ATOM 1518 CA HIS A 106 3.968 -5.323 -6.275 1.00 0.00 C ATOM 1519 C HIS A 106 4.515 -5.572 -7.678 1.00 0.00 C ATOM 1520 O HIS A 106 5.716 -5.771 -7.860 1.00 0.00 O ATOM 1521 CB HIS A 106 3.002 -6.441 -5.885 1.00 0.00 C ATOM 1522 CG HIS A 106 3.639 -7.796 -5.841 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.962 -8.957 -6.149 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.900 -8.171 -5.523 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.778 -9.988 -6.021 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.962 -9.537 -5.642 1.00 0.00 N ATOM 0 H HIS A 106 2.362 -4.059 -5.804 1.00 0.00 H new ATOM 0 HA HIS A 106 4.803 -5.315 -5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.576 -6.217 -4.907 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.176 -6.460 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.708 -7.517 -5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.522 -11.023 -6.196 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.787 -10.111 -5.467 1.00 0.00 H new ATOM 1535 N SER A 107 3.624 -5.562 -8.665 1.00 0.00 N ATOM 1536 CA SER A 107 4.017 -5.792 -10.051 1.00 0.00 C ATOM 1537 C SER A 107 5.400 -5.209 -10.327 1.00 0.00 C ATOM 1538 O SER A 107 6.203 -5.803 -11.045 1.00 0.00 O ATOM 1539 CB SER A 107 2.991 -5.174 -11.003 1.00 0.00 C ATOM 1540 OG SER A 107 3.102 -5.729 -12.302 1.00 0.00 O ATOM 0 H SER A 107 2.626 -5.397 -8.531 1.00 0.00 H new ATOM 0 HA SER A 107 4.055 -6.868 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.985 -5.341 -10.617 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.139 -4.095 -11.051 1.00 0.00 H new ATOM 0 HG SER A 107 2.435 -5.319 -12.891 1.00 0.00 H new ATOM 1546 N ALA A 108 5.669 -4.042 -9.752 1.00 0.00 N ATOM 1547 CA ALA A 108 6.954 -3.378 -9.934 1.00 0.00 C ATOM 1548 C ALA A 108 7.973 -3.865 -8.909 1.00 0.00 C ATOM 1549 O ALA A 108 9.104 -4.206 -9.257 1.00 0.00 O ATOM 1550 CB ALA A 108 6.787 -1.869 -9.839 1.00 0.00 C ATOM 0 H ALA A 108 5.014 -3.536 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 108 7.327 -3.629 -10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.755 -1.386 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.099 -1.530 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.388 -1.608 -8.859 1.00 0.00 H new ATOM 1556 N PHE A 109 7.566 -3.895 -7.645 1.00 0.00 N ATOM 1557 CA PHE A 109 8.444 -4.339 -6.568 1.00 0.00 C ATOM 1558 C PHE A 109 8.254 -5.827 -6.290 1.00 0.00 C ATOM 1559 O PHE A 109 8.230 -6.257 -5.136 1.00 0.00 O ATOM 1560 CB PHE A 109 8.177 -3.532 -5.297 1.00 0.00 C ATOM 1561 CG PHE A 109 8.613 -2.097 -5.393 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.905 -1.196 -6.172 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.731 -1.652 -4.707 1.00 0.00 C ATOM 1564 CE1 PHE A 109 8.304 0.125 -6.263 1.00 0.00 C ATOM 1565 CE2 PHE A 109 10.134 -0.332 -4.794 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.420 0.556 -5.574 1.00 0.00 C ATOM 0 H PHE A 109 6.633 -3.617 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 109 9.475 -4.175 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.111 -3.565 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.693 -4.005 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.032 -1.529 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.294 -2.343 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.743 0.818 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.006 0.004 -4.253 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.734 1.587 -5.645 1.00 0.00 H new ATOM 1576 N LYS A 110 8.118 -6.610 -7.355 1.00 0.00 N ATOM 1577 CA LYS A 110 7.930 -8.050 -7.227 1.00 0.00 C ATOM 1578 C LYS A 110 9.218 -8.729 -6.774 1.00 0.00 C ATOM 1579 O LYS A 110 10.288 -8.487 -7.332 1.00 0.00 O ATOM 1580 CB LYS A 110 7.468 -8.644 -8.559 1.00 0.00 C ATOM 1581 CG LYS A 110 5.969 -8.554 -8.780 1.00 0.00 C ATOM 1582 CD LYS A 110 5.461 -9.701 -9.637 1.00 0.00 C ATOM 1583 CE LYS A 110 5.705 -9.443 -11.116 1.00 0.00 C ATOM 1584 NZ LYS A 110 7.111 -9.744 -11.505 1.00 0.00 N ATOM 0 H LYS A 110 8.135 -6.271 -8.317 1.00 0.00 H new ATOM 0 HA LYS A 110 7.164 -8.226 -6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.978 -8.129 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.771 -9.690 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.457 -8.564 -7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.728 -7.606 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.958 -10.625 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.394 -9.842 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.025 -10.055 -11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.479 -8.402 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.140 -10.037 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.696 -8.894 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.480 -10.512 -10.908 1.00 0.00 H new