USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 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 103 SER OG : rot -76:sc= 1.14 USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.0479 X(o=1.1,f=1.1) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot 70:sc= -0.412 USER MOD Single : A 16 CYS SG : rot -1:sc= 0.674 USER MOD Single : A 17 GLN : amide:sc= 1.21 K(o=1.2,f=-0.7) USER MOD Single : A 19 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 20 THR OG1 : rot -63:sc= 0.325 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.955 USER MOD Single : A 27 HIS : no HD1:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.217 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 51:sc= -4.17! USER MOD Single : A 46 TYR OH : rot 80:sc= 1.03 USER MOD Single : A 49 GLN : amide:sc= -5.81! C(o=-5.8!,f=-11!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 67 THR OG1 : rot -160:sc= -1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.8! X(o=-1.8!,f=-1.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc=-0.000361 X(o=-0.00036,f=-0.43) USER MOD Single : A 93 SER OG : rot 180:sc= -0.378 USER MOD Single : A 101 TYR OH : rot 30:sc= -1.98! USER MOD Single : A 106 HIS : no HD1:sc= -3.68 K(o=-3.7,f=-1.6) USER MOD Single : A 107 SER OG : rot 85:sc= 0.357 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.021 -13.877 -3.132 1.00 0.00 N ATOM 113 CA GLU A 11 0.349 -13.544 -3.505 1.00 0.00 C ATOM 114 C GLU A 11 0.660 -12.084 -3.190 1.00 0.00 C ATOM 115 O GLU A 11 1.779 -11.745 -2.806 1.00 0.00 O ATOM 116 CB GLU A 11 0.577 -13.817 -4.992 1.00 0.00 C ATOM 117 CG GLU A 11 2.040 -13.996 -5.361 1.00 0.00 C ATOM 118 CD GLU A 11 2.231 -14.401 -6.810 1.00 0.00 C ATOM 119 OE1 GLU A 11 1.630 -13.751 -7.691 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.981 -15.366 -7.063 1.00 0.00 O ATOM 0 HA GLU A 11 1.020 -14.174 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.027 -14.714 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.163 -12.992 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.574 -13.064 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.484 -14.753 -4.715 1.00 0.00 H new ATOM 127 N LEU A 12 -0.339 -11.224 -3.357 1.00 0.00 N ATOM 128 CA LEU A 12 -0.174 -9.799 -3.092 1.00 0.00 C ATOM 129 C LEU A 12 -0.242 -9.512 -1.595 1.00 0.00 C ATOM 130 O LEU A 12 0.693 -8.960 -1.015 1.00 0.00 O ATOM 131 CB LEU A 12 -1.249 -8.996 -3.826 1.00 0.00 C ATOM 132 CG LEU A 12 -1.293 -7.497 -3.522 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.172 -6.772 -4.250 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.645 -6.915 -3.904 1.00 0.00 C ATOM 0 H LEU A 12 -1.271 -11.489 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 12 0.808 -9.498 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.101 -9.125 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.222 -9.424 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.151 -7.358 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.219 -5.707 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.790 -7.170 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.282 -6.918 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.658 -5.848 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.818 -7.065 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.430 -7.414 -3.336 1.00 0.00 H new ATOM 146 N LEU A 13 -1.353 -9.892 -0.975 1.00 0.00 N ATOM 147 CA LEU A 13 -1.543 -9.677 0.456 1.00 0.00 C ATOM 148 C LEU A 13 -0.288 -10.057 1.234 1.00 0.00 C ATOM 149 O LEU A 13 0.269 -9.242 1.969 1.00 0.00 O ATOM 150 CB LEU A 13 -2.736 -10.492 0.960 1.00 0.00 C ATOM 151 CG LEU A 13 -2.889 -10.589 2.478 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.321 -9.250 3.057 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.887 -11.677 2.845 1.00 0.00 C ATOM 0 H LEU A 13 -2.136 -10.351 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.741 -8.617 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.647 -10.056 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.657 -11.502 0.558 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.921 -10.852 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.425 -9.338 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.571 -8.494 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.277 -8.957 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.983 -11.732 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.857 -11.444 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.537 -12.636 2.463 1.00 0.00 H new ATOM 165 N ARG A 14 0.153 -11.299 1.066 1.00 0.00 N ATOM 166 CA ARG A 14 1.343 -11.786 1.752 1.00 0.00 C ATOM 167 C ARG A 14 2.522 -10.843 1.533 1.00 0.00 C ATOM 168 O ARG A 14 3.191 -10.438 2.484 1.00 0.00 O ATOM 169 CB ARG A 14 1.702 -13.190 1.262 1.00 0.00 C ATOM 170 CG ARG A 14 0.748 -14.268 1.749 1.00 0.00 C ATOM 171 CD ARG A 14 1.229 -15.656 1.356 1.00 0.00 C ATOM 172 NE ARG A 14 0.295 -16.698 1.777 1.00 0.00 N ATOM 173 CZ ARG A 14 0.358 -17.956 1.354 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.305 -18.326 0.503 1.00 0.00 N ATOM 175 NH2 ARG A 14 -0.527 -18.846 1.783 1.00 0.00 N ATOM 0 H ARG A 14 -0.296 -11.986 0.461 1.00 0.00 H new ATOM 0 HA ARG A 14 1.125 -11.825 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.714 -13.193 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.712 -13.434 1.593 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.652 -14.208 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.244 -14.094 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.360 -15.702 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.205 -15.842 1.804 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.446 -16.446 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.987 -17.644 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.351 -19.292 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.257 -18.565 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.478 -19.812 1.458 1.00 0.00 H new ATOM 189 N TRP A 15 2.770 -10.497 0.275 1.00 0.00 N ATOM 190 CA TRP A 15 3.869 -9.601 -0.069 1.00 0.00 C ATOM 191 C TRP A 15 3.774 -8.297 0.716 1.00 0.00 C ATOM 192 O TRP A 15 4.750 -7.855 1.322 1.00 0.00 O ATOM 193 CB TRP A 15 3.864 -9.309 -1.570 1.00 0.00 C ATOM 194 CG TRP A 15 4.870 -8.274 -1.976 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.221 -8.443 -2.081 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.605 -6.913 -2.331 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.812 -7.267 -2.479 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.841 -6.314 -2.640 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.442 -6.142 -2.419 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.946 -4.981 -3.028 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.548 -4.820 -2.804 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.792 -4.250 -3.106 1.00 0.00 C ATOM 0 H TRP A 15 2.226 -10.823 -0.524 1.00 0.00 H new ATOM 0 HA TRP A 15 4.804 -10.094 0.195 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.064 -10.233 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.869 -8.974 -1.865 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.748 -9.364 -1.881 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.811 -7.127 -2.630 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.478 -6.572 -2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.904 -4.540 -3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.656 -4.215 -2.874 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.841 -3.214 -3.406 1.00 0.00 H new ATOM 213 N CYS A 16 2.594 -7.687 0.701 1.00 0.00 N ATOM 214 CA CYS A 16 2.372 -6.432 1.411 1.00 0.00 C ATOM 215 C CYS A 16 2.613 -6.605 2.906 1.00 0.00 C ATOM 216 O CYS A 16 3.296 -5.795 3.532 1.00 0.00 O ATOM 217 CB CYS A 16 0.950 -5.928 1.166 1.00 0.00 C ATOM 218 SG CYS A 16 0.691 -5.219 -0.477 1.00 0.00 S ATOM 0 H CYS A 16 1.776 -8.041 0.205 1.00 0.00 H new ATOM 0 HA CYS A 16 3.080 -5.696 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.254 -6.755 1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.708 -5.176 1.917 1.00 0.00 H new ATOM 0 HG CYS A 16 1.806 -5.252 -1.145 1.00 0.00 H new ATOM 224 N GLN A 17 2.045 -7.665 3.474 1.00 0.00 N ATOM 225 CA GLN A 17 2.197 -7.942 4.898 1.00 0.00 C ATOM 226 C GLN A 17 3.663 -7.880 5.311 1.00 0.00 C ATOM 227 O GLN A 17 3.996 -7.353 6.372 1.00 0.00 O ATOM 228 CB GLN A 17 1.617 -9.316 5.236 1.00 0.00 C ATOM 229 CG GLN A 17 0.098 -9.340 5.288 1.00 0.00 C ATOM 230 CD GLN A 17 -0.446 -10.624 5.882 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.261 -11.628 5.972 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.709 -10.599 6.291 1.00 0.00 N ATOM 0 H GLN A 17 1.476 -8.345 2.970 1.00 0.00 H new ATOM 0 HA GLN A 17 1.650 -7.179 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.958 -10.038 4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.010 -9.640 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.255 -8.494 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.298 -9.214 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.259 -9.745 6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.130 -11.434 6.699 1.00 0.00 H new ATOM 241 N GLU A 18 4.535 -8.422 4.466 1.00 0.00 N ATOM 242 CA GLU A 18 5.966 -8.429 4.746 1.00 0.00 C ATOM 243 C GLU A 18 6.534 -7.013 4.710 1.00 0.00 C ATOM 244 O GLU A 18 7.362 -6.644 5.542 1.00 0.00 O ATOM 245 CB GLU A 18 6.702 -9.312 3.736 1.00 0.00 C ATOM 246 CG GLU A 18 6.489 -10.800 3.960 1.00 0.00 C ATOM 247 CD GLU A 18 7.145 -11.649 2.889 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.381 -11.816 2.939 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.423 -12.148 2.000 1.00 0.00 O ATOM 0 H GLU A 18 4.276 -8.861 3.583 1.00 0.00 H new ATOM 0 HA GLU A 18 6.113 -8.835 5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.370 -9.053 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.769 -9.095 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.889 -11.078 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.420 -11.011 3.982 1.00 0.00 H new ATOM 256 N GLN A 19 6.085 -6.226 3.737 1.00 0.00 N ATOM 257 CA GLN A 19 6.548 -4.851 3.591 1.00 0.00 C ATOM 258 C GLN A 19 6.049 -3.983 4.742 1.00 0.00 C ATOM 259 O GLN A 19 6.841 -3.415 5.495 1.00 0.00 O ATOM 260 CB GLN A 19 6.079 -4.271 2.257 1.00 0.00 C ATOM 261 CG GLN A 19 6.607 -5.024 1.046 1.00 0.00 C ATOM 262 CD GLN A 19 8.108 -5.229 1.096 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.870 -4.280 1.280 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.541 -6.473 0.931 1.00 0.00 N ATOM 0 H GLN A 19 5.401 -6.517 3.038 1.00 0.00 H new ATOM 0 HA GLN A 19 7.638 -4.857 3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.989 -4.277 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.394 -3.230 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.114 -5.994 0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.349 -4.475 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.874 -7.230 0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.541 -6.672 0.954 1.00 0.00 H new ATOM 273 N THR A 20 4.730 -3.883 4.872 1.00 0.00 N ATOM 274 CA THR A 20 4.125 -3.083 5.928 1.00 0.00 C ATOM 275 C THR A 20 4.511 -3.609 7.306 1.00 0.00 C ATOM 276 O THR A 20 4.486 -2.871 8.291 1.00 0.00 O ATOM 277 CB THR A 20 2.589 -3.066 5.810 1.00 0.00 C ATOM 278 OG1 THR A 20 2.072 -4.394 5.952 1.00 0.00 O ATOM 279 CG2 THR A 20 2.155 -2.488 4.471 1.00 0.00 C ATOM 0 H THR A 20 4.060 -4.347 4.258 1.00 0.00 H new ATOM 0 HA THR A 20 4.503 -2.067 5.811 1.00 0.00 H new ATOM 0 HB THR A 20 2.193 -2.435 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.400 -4.953 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.067 -2.486 4.411 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.525 -1.467 4.378 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.562 -3.096 3.663 1.00 0.00 H new ATOM 287 N ALA A 21 4.869 -4.887 7.367 1.00 0.00 N ATOM 288 CA ALA A 21 5.264 -5.510 8.624 1.00 0.00 C ATOM 289 C ALA A 21 6.247 -4.630 9.389 1.00 0.00 C ATOM 290 O ALA A 21 6.394 -4.755 10.603 1.00 0.00 O ATOM 291 CB ALA A 21 5.870 -6.881 8.367 1.00 0.00 C ATOM 0 H ALA A 21 4.894 -5.511 6.561 1.00 0.00 H new ATOM 0 HA ALA A 21 4.371 -5.629 9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.160 -7.334 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.136 -7.516 7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.749 -6.777 7.731 1.00 0.00 H new ATOM 297 N GLY A 22 6.922 -3.739 8.667 1.00 0.00 N ATOM 298 CA GLY A 22 7.883 -2.852 9.294 1.00 0.00 C ATOM 299 C GLY A 22 7.272 -1.524 9.696 1.00 0.00 C ATOM 300 O GLY A 22 7.814 -0.464 9.383 1.00 0.00 O ATOM 0 H GLY A 22 6.820 -3.617 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.300 -3.338 10.176 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.711 -2.674 8.607 1.00 0.00 H new ATOM 304 N TYR A 23 6.141 -1.581 10.388 1.00 0.00 N ATOM 305 CA TYR A 23 5.453 -0.373 10.829 1.00 0.00 C ATOM 306 C TYR A 23 4.589 -0.655 12.055 1.00 0.00 C ATOM 307 O TYR A 23 3.752 -1.558 12.063 1.00 0.00 O ATOM 308 CB TYR A 23 4.586 0.187 9.700 1.00 0.00 C ATOM 309 CG TYR A 23 4.355 1.678 9.796 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.741 2.234 10.912 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.752 2.530 8.773 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.527 3.596 11.004 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.544 3.894 8.858 1.00 0.00 C ATOM 314 CZ TYR A 23 3.930 4.421 9.975 1.00 0.00 C ATOM 315 OH TYR A 23 3.720 5.778 10.063 1.00 0.00 O ATOM 0 H TYR A 23 5.680 -2.451 10.656 1.00 0.00 H new ATOM 0 HA TYR A 23 6.208 0.365 11.100 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.059 -0.038 8.744 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.622 -0.323 9.706 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.426 1.591 11.721 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.231 2.120 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.047 4.012 11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.860 4.543 8.055 1.00 0.00 H new ATOM 0 HH TYR A 23 3.742 6.052 11.004 1.00 0.00 H new ATOM 325 N PRO A 24 4.796 0.136 13.118 1.00 0.00 N ATOM 326 CA PRO A 24 4.046 -0.007 14.370 1.00 0.00 C ATOM 327 C PRO A 24 2.586 0.409 14.222 1.00 0.00 C ATOM 328 O PRO A 24 2.280 1.589 14.061 1.00 0.00 O ATOM 329 CB PRO A 24 4.776 0.936 15.330 1.00 0.00 C ATOM 330 CG PRO A 24 5.416 1.953 14.449 1.00 0.00 C ATOM 331 CD PRO A 24 5.777 1.232 13.179 1.00 0.00 C ATOM 0 HA PRO A 24 4.013 -1.042 14.710 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.083 1.400 16.032 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.519 0.401 15.922 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.735 2.780 14.248 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.302 2.377 14.922 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.703 1.886 12.310 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.799 0.855 13.208 1.00 0.00 H new ATOM 339 N GLY A 25 1.689 -0.570 14.276 1.00 0.00 N ATOM 340 CA GLY A 25 0.272 -0.286 14.148 1.00 0.00 C ATOM 341 C GLY A 25 -0.321 -0.859 12.876 1.00 0.00 C ATOM 342 O GLY A 25 -1.472 -1.296 12.860 1.00 0.00 O ATOM 0 H GLY A 25 1.918 -1.555 14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.257 -0.696 15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.118 0.793 14.163 1.00 0.00 H new ATOM 346 N VAL A 26 0.466 -0.857 11.804 1.00 0.00 N ATOM 347 CA VAL A 26 0.012 -1.381 10.521 1.00 0.00 C ATOM 348 C VAL A 26 -0.054 -2.904 10.541 1.00 0.00 C ATOM 349 O VAL A 26 0.974 -3.580 10.579 1.00 0.00 O ATOM 350 CB VAL A 26 0.937 -0.933 9.373 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.439 -1.476 8.043 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.041 0.583 9.334 1.00 0.00 C ATOM 0 H VAL A 26 1.421 -0.498 11.799 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.987 -0.980 10.351 1.00 0.00 H new ATOM 0 HB VAL A 26 1.933 -1.338 9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.105 -1.149 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.422 -2.565 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.567 -1.103 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.698 0.882 8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.051 1.012 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.449 0.944 10.278 1.00 0.00 H new ATOM 362 N HIS A 27 -1.271 -3.438 10.515 1.00 0.00 N ATOM 363 CA HIS A 27 -1.473 -4.882 10.530 1.00 0.00 C ATOM 364 C HIS A 27 -2.413 -5.311 9.407 1.00 0.00 C ATOM 365 O HIS A 27 -3.595 -5.562 9.635 1.00 0.00 O ATOM 366 CB HIS A 27 -2.037 -5.326 11.879 1.00 0.00 C ATOM 367 CG HIS A 27 -2.032 -6.812 12.071 1.00 0.00 C ATOM 368 ND1 HIS A 27 -1.143 -7.460 12.903 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.815 -7.777 11.534 1.00 0.00 C ATOM 370 CE1 HIS A 27 -1.379 -8.760 12.868 1.00 0.00 C ATOM 371 NE2 HIS A 27 -2.388 -8.978 12.044 1.00 0.00 N ATOM 0 H HIS A 27 -2.132 -2.892 10.483 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.506 -5.360 10.374 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.456 -4.863 12.677 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.059 -4.959 11.975 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.625 -7.630 10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.839 -9.515 13.419 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.786 -9.891 11.822 1.00 0.00 H new ATOM 380 N VAL A 28 -1.877 -5.391 8.193 1.00 0.00 N ATOM 381 CA VAL A 28 -2.668 -5.790 7.033 1.00 0.00 C ATOM 382 C VAL A 28 -3.317 -7.151 7.253 1.00 0.00 C ATOM 383 O VAL A 28 -2.820 -8.172 6.777 1.00 0.00 O ATOM 384 CB VAL A 28 -1.806 -5.843 5.758 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.623 -6.360 4.583 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.222 -4.474 5.452 1.00 0.00 C ATOM 0 H VAL A 28 -0.900 -5.185 7.987 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.446 -5.037 6.905 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.980 -6.534 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.998 -6.391 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.987 -7.363 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.471 -5.697 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.616 -4.531 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.031 -3.759 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.600 -4.149 6.286 1.00 0.00 H new ATOM 396 N SER A 29 -4.433 -7.159 7.977 1.00 0.00 N ATOM 397 CA SER A 29 -5.150 -8.397 8.263 1.00 0.00 C ATOM 398 C SER A 29 -5.929 -8.867 7.039 1.00 0.00 C ATOM 399 O SER A 29 -6.256 -10.048 6.914 1.00 0.00 O ATOM 400 CB SER A 29 -6.102 -8.198 9.444 1.00 0.00 C ATOM 401 OG SER A 29 -7.060 -7.193 9.162 1.00 0.00 O ATOM 0 H SER A 29 -4.860 -6.323 8.376 1.00 0.00 H new ATOM 0 HA SER A 29 -4.418 -9.162 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.610 -9.136 9.668 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.533 -7.923 10.332 1.00 0.00 H new ATOM 0 HG SER A 29 -7.658 -7.086 9.931 1.00 0.00 H new ATOM 407 N ASP A 30 -6.224 -7.936 6.139 1.00 0.00 N ATOM 408 CA ASP A 30 -6.965 -8.255 4.924 1.00 0.00 C ATOM 409 C ASP A 30 -7.064 -7.035 4.012 1.00 0.00 C ATOM 410 O ASP A 30 -6.724 -5.921 4.411 1.00 0.00 O ATOM 411 CB ASP A 30 -8.366 -8.760 5.274 1.00 0.00 C ATOM 412 CG ASP A 30 -8.897 -9.747 4.253 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.172 -10.711 3.926 1.00 0.00 O ATOM 414 OD2 ASP A 30 -10.036 -9.556 3.779 1.00 0.00 O ATOM 0 H ASP A 30 -5.962 -6.954 6.228 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.426 -9.040 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.344 -9.234 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.048 -7.912 5.344 1.00 0.00 H new ATOM 419 N LEU A 31 -7.531 -7.255 2.788 1.00 0.00 N ATOM 420 CA LEU A 31 -7.673 -6.174 1.819 1.00 0.00 C ATOM 421 C LEU A 31 -9.096 -5.624 1.822 1.00 0.00 C ATOM 422 O LEU A 31 -9.635 -5.263 0.775 1.00 0.00 O ATOM 423 CB LEU A 31 -7.308 -6.668 0.418 1.00 0.00 C ATOM 424 CG LEU A 31 -5.814 -6.804 0.122 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.250 -8.050 0.786 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.568 -6.839 -1.379 1.00 0.00 C ATOM 0 H LEU A 31 -7.818 -8.171 2.443 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.992 -5.372 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.778 -7.639 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.742 -5.984 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.301 -5.934 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.186 -8.130 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.392 -7.983 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.767 -8.931 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.499 -6.936 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.093 -7.689 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.935 -5.917 -1.829 1.00 0.00 H new ATOM 438 N SER A 32 -9.699 -5.562 3.006 1.00 0.00 N ATOM 439 CA SER A 32 -11.059 -5.057 3.144 1.00 0.00 C ATOM 440 C SER A 32 -11.068 -3.706 3.854 1.00 0.00 C ATOM 441 O SER A 32 -11.311 -2.670 3.236 1.00 0.00 O ATOM 442 CB SER A 32 -11.920 -6.057 3.917 1.00 0.00 C ATOM 443 OG SER A 32 -11.274 -6.473 5.109 1.00 0.00 O ATOM 0 H SER A 32 -9.267 -5.855 3.882 1.00 0.00 H new ATOM 0 HA SER A 32 -11.475 -4.926 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.881 -5.603 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.127 -6.924 3.290 1.00 0.00 H new ATOM 0 HG SER A 32 -11.846 -7.111 5.586 1.00 0.00 H new ATOM 449 N SER A 33 -10.800 -3.727 5.156 1.00 0.00 N ATOM 450 CA SER A 33 -10.781 -2.506 5.952 1.00 0.00 C ATOM 451 C SER A 33 -9.373 -2.214 6.464 1.00 0.00 C ATOM 452 O SER A 33 -9.046 -1.074 6.798 1.00 0.00 O ATOM 453 CB SER A 33 -11.749 -2.624 7.130 1.00 0.00 C ATOM 454 OG SER A 33 -13.083 -2.786 6.679 1.00 0.00 O ATOM 0 H SER A 33 -10.593 -4.576 5.682 1.00 0.00 H new ATOM 0 HA SER A 33 -11.096 -1.681 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.467 -3.473 7.753 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.678 -1.733 7.754 1.00 0.00 H new ATOM 0 HG SER A 33 -13.682 -2.861 7.451 1.00 0.00 H new ATOM 460 N SER A 34 -8.544 -3.251 6.522 1.00 0.00 N ATOM 461 CA SER A 34 -7.173 -3.109 6.997 1.00 0.00 C ATOM 462 C SER A 34 -6.459 -1.978 6.262 1.00 0.00 C ATOM 463 O SER A 34 -5.536 -1.362 6.796 1.00 0.00 O ATOM 464 CB SER A 34 -6.406 -4.418 6.809 1.00 0.00 C ATOM 465 OG SER A 34 -5.425 -4.585 7.817 1.00 0.00 O ATOM 0 H SER A 34 -8.798 -4.199 6.246 1.00 0.00 H new ATOM 0 HA SER A 34 -7.206 -2.866 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.102 -5.257 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.929 -4.426 5.829 1.00 0.00 H new ATOM 0 HG SER A 34 -5.864 -4.758 8.676 1.00 0.00 H new ATOM 471 N TRP A 35 -6.893 -1.712 5.036 1.00 0.00 N ATOM 472 CA TRP A 35 -6.295 -0.655 4.227 1.00 0.00 C ATOM 473 C TRP A 35 -7.165 0.597 4.238 1.00 0.00 C ATOM 474 O TRP A 35 -6.761 1.649 3.743 1.00 0.00 O ATOM 475 CB TRP A 35 -6.094 -1.138 2.789 1.00 0.00 C ATOM 476 CG TRP A 35 -5.188 -2.328 2.684 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.477 -3.613 3.046 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.845 -2.341 2.186 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.396 -4.424 2.802 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.382 -3.668 2.274 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.991 -1.362 1.672 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.102 -4.038 1.869 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.721 -1.731 1.272 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.286 -3.059 1.370 1.00 0.00 C ATOM 0 H TRP A 35 -7.656 -2.212 4.580 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.326 -0.405 4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.063 -1.389 2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.682 -0.323 2.194 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.417 -3.943 3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.354 -5.427 2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.317 -0.336 1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.765 -5.061 1.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.051 -0.982 0.876 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.288 -3.315 1.046 1.00 0.00 H new ATOM 495 N ALA A 36 -8.361 0.477 4.805 1.00 0.00 N ATOM 496 CA ALA A 36 -9.287 1.601 4.882 1.00 0.00 C ATOM 497 C ALA A 36 -8.982 2.482 6.089 1.00 0.00 C ATOM 498 O ALA A 36 -9.890 2.931 6.786 1.00 0.00 O ATOM 499 CB ALA A 36 -10.722 1.099 4.942 1.00 0.00 C ATOM 0 H ALA A 36 -8.712 -0.387 5.218 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.162 2.205 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.403 1.949 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.942 0.518 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.851 0.471 5.823 1.00 0.00 H new ATOM 505 N ASP A 37 -7.697 2.722 6.330 1.00 0.00 N ATOM 506 CA ASP A 37 -7.271 3.550 7.452 1.00 0.00 C ATOM 507 C ASP A 37 -6.260 4.599 7.002 1.00 0.00 C ATOM 508 O ASP A 37 -6.209 5.702 7.546 1.00 0.00 O ATOM 509 CB ASP A 37 -6.667 2.680 8.555 1.00 0.00 C ATOM 510 CG ASP A 37 -5.624 3.420 9.370 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.842 4.613 9.667 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.590 2.807 9.710 1.00 0.00 O ATOM 0 H ASP A 37 -6.933 2.355 5.763 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.148 4.064 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.461 2.333 9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.214 1.795 8.109 1.00 0.00 H new ATOM 517 N GLY A 38 -5.456 4.247 6.003 1.00 0.00 N ATOM 518 CA GLY A 38 -4.455 5.169 5.497 1.00 0.00 C ATOM 519 C GLY A 38 -3.042 4.671 5.722 1.00 0.00 C ATOM 520 O GLY A 38 -2.293 4.452 4.768 1.00 0.00 O ATOM 0 H GLY A 38 -5.480 3.341 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.616 5.326 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.578 6.137 5.984 1.00 0.00 H new ATOM 524 N LEU A 39 -2.673 4.493 6.986 1.00 0.00 N ATOM 525 CA LEU A 39 -1.338 4.019 7.333 1.00 0.00 C ATOM 526 C LEU A 39 -0.930 2.845 6.450 1.00 0.00 C ATOM 527 O LEU A 39 0.143 2.854 5.845 1.00 0.00 O ATOM 528 CB LEU A 39 -1.290 3.604 8.805 1.00 0.00 C ATOM 529 CG LEU A 39 -0.933 4.708 9.801 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.206 4.250 11.226 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.524 5.119 9.642 1.00 0.00 C ATOM 0 H LEU A 39 -3.279 4.670 7.787 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.635 4.836 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.263 3.196 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.564 2.798 8.911 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.560 5.575 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.946 5.048 11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.263 4.005 11.333 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.605 3.368 11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.760 5.905 10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.167 4.258 9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.689 5.489 8.630 1.00 0.00 H new ATOM 543 N ALA A 40 -1.792 1.837 6.377 1.00 0.00 N ATOM 544 CA ALA A 40 -1.523 0.658 5.563 1.00 0.00 C ATOM 545 C ALA A 40 -0.747 1.026 4.303 1.00 0.00 C ATOM 546 O ALA A 40 0.301 0.446 4.015 1.00 0.00 O ATOM 547 CB ALA A 40 -2.824 -0.041 5.199 1.00 0.00 C ATOM 0 H ALA A 40 -2.683 1.813 6.872 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.909 -0.025 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.607 -0.919 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.339 -0.348 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.459 0.643 4.635 1.00 0.00 H new ATOM 553 N LEU A 41 -1.269 1.991 3.554 1.00 0.00 N ATOM 554 CA LEU A 41 -0.626 2.437 2.323 1.00 0.00 C ATOM 555 C LEU A 41 0.682 3.161 2.623 1.00 0.00 C ATOM 556 O LEU A 41 1.676 2.987 1.917 1.00 0.00 O ATOM 557 CB LEU A 41 -1.563 3.356 1.538 1.00 0.00 C ATOM 558 CG LEU A 41 -2.535 2.666 0.581 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.559 3.659 0.051 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.780 2.013 -0.568 1.00 0.00 C ATOM 0 H LEU A 41 -2.136 2.480 3.778 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.402 1.557 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.142 3.945 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.956 4.056 0.964 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.064 1.888 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.242 3.149 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.122 4.080 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.047 4.460 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.488 1.527 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.224 2.773 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.087 1.271 -0.173 1.00 0.00 H new ATOM 572 N CYS A 42 0.676 3.971 3.675 1.00 0.00 N ATOM 573 CA CYS A 42 1.862 4.721 4.071 1.00 0.00 C ATOM 574 C CYS A 42 3.048 3.787 4.292 1.00 0.00 C ATOM 575 O CYS A 42 4.106 3.959 3.689 1.00 0.00 O ATOM 576 CB CYS A 42 1.584 5.522 5.344 1.00 0.00 C ATOM 577 SG CYS A 42 0.061 6.495 5.287 1.00 0.00 S ATOM 0 H CYS A 42 -0.138 4.125 4.270 1.00 0.00 H new ATOM 0 HA CYS A 42 2.111 5.410 3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.532 4.835 6.189 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.424 6.192 5.529 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.924 5.737 4.906 1.00 0.00 H new ATOM 583 N ALA A 43 2.861 2.800 5.163 1.00 0.00 N ATOM 584 CA ALA A 43 3.915 1.838 5.463 1.00 0.00 C ATOM 585 C ALA A 43 4.488 1.235 4.184 1.00 0.00 C ATOM 586 O ALA A 43 5.700 1.257 3.964 1.00 0.00 O ATOM 587 CB ALA A 43 3.384 0.742 6.375 1.00 0.00 C ATOM 0 H ALA A 43 1.991 2.646 5.672 1.00 0.00 H new ATOM 0 HA ALA A 43 4.719 2.365 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.181 0.031 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.029 1.184 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.561 0.226 5.882 1.00 0.00 H new ATOM 593 N LEU A 44 3.611 0.695 3.346 1.00 0.00 N ATOM 594 CA LEU A 44 4.030 0.084 2.089 1.00 0.00 C ATOM 595 C LEU A 44 4.889 1.046 1.276 1.00 0.00 C ATOM 596 O LEU A 44 5.968 0.687 0.806 1.00 0.00 O ATOM 597 CB LEU A 44 2.807 -0.340 1.273 1.00 0.00 C ATOM 598 CG LEU A 44 3.072 -0.723 -0.183 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.599 -2.146 -0.274 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.807 -0.567 -1.015 1.00 0.00 C ATOM 0 H LEU A 44 2.605 0.667 3.514 1.00 0.00 H new ATOM 0 HA LEU A 44 4.627 -0.798 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.339 -1.189 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.085 0.476 1.287 1.00 0.00 H new ATOM 0 HG LEU A 44 3.831 -0.050 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.782 -2.400 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.530 -2.226 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.864 -2.834 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.015 -0.844 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.027 -1.215 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.472 0.470 -0.978 1.00 0.00 H new ATOM 612 N VAL A 45 4.404 2.273 1.114 1.00 0.00 N ATOM 613 CA VAL A 45 5.129 3.289 0.360 1.00 0.00 C ATOM 614 C VAL A 45 6.457 3.625 1.027 1.00 0.00 C ATOM 615 O VAL A 45 7.526 3.354 0.479 1.00 0.00 O ATOM 616 CB VAL A 45 4.299 4.579 0.215 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.090 5.643 -0.530 1.00 0.00 C ATOM 618 CG2 VAL A 45 2.983 4.289 -0.492 1.00 0.00 C ATOM 0 H VAL A 45 3.512 2.588 1.495 1.00 0.00 H new ATOM 0 HA VAL A 45 5.318 2.874 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 45 4.074 4.959 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.487 6.546 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.003 5.870 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.348 5.276 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.409 5.211 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.184 3.884 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.411 3.563 0.087 1.00 0.00 H new ATOM 628 N TYR A 46 6.384 4.216 2.214 1.00 0.00 N ATOM 629 CA TYR A 46 7.581 4.591 2.958 1.00 0.00 C ATOM 630 C TYR A 46 8.636 3.492 2.881 1.00 0.00 C ATOM 631 O TYR A 46 9.772 3.734 2.474 1.00 0.00 O ATOM 632 CB TYR A 46 7.232 4.877 4.419 1.00 0.00 C ATOM 633 CG TYR A 46 6.616 6.241 4.638 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.323 7.400 4.343 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.328 6.370 5.142 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.766 8.648 4.543 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.761 7.614 5.343 1.00 0.00 C ATOM 638 CZ TYR A 46 5.484 8.749 5.042 1.00 0.00 C ATOM 639 OH TYR A 46 4.924 9.991 5.242 1.00 0.00 O ATOM 0 H TYR A 46 5.508 4.446 2.682 1.00 0.00 H new ATOM 0 HA TYR A 46 7.990 5.495 2.506 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.540 4.114 4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.136 4.794 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.326 7.324 3.950 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.760 5.483 5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.330 9.539 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.758 7.697 5.734 1.00 0.00 H new ATOM 0 HH TYR A 46 4.599 10.345 4.388 1.00 0.00 H new ATOM 649 N ARG A 47 8.250 2.282 3.275 1.00 0.00 N ATOM 650 CA ARG A 47 9.162 1.145 3.252 1.00 0.00 C ATOM 651 C ARG A 47 9.812 0.996 1.880 1.00 0.00 C ATOM 652 O ARG A 47 11.037 1.044 1.753 1.00 0.00 O ATOM 653 CB ARG A 47 8.416 -0.141 3.616 1.00 0.00 C ATOM 654 CG ARG A 47 9.274 -1.391 3.515 1.00 0.00 C ATOM 655 CD ARG A 47 10.015 -1.666 4.814 1.00 0.00 C ATOM 656 NE ARG A 47 11.285 -0.950 4.882 1.00 0.00 N ATOM 657 CZ ARG A 47 12.295 -1.317 5.663 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.184 -2.388 6.437 1.00 0.00 N ATOM 659 NH2 ARG A 47 13.421 -0.615 5.669 1.00 0.00 N ATOM 0 H ARG A 47 7.313 2.065 3.614 1.00 0.00 H new ATOM 0 HA ARG A 47 9.945 1.325 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.034 -0.054 4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.553 -0.249 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.645 -2.246 3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.992 -1.276 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.389 -1.374 5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.197 -2.737 4.908 1.00 0.00 H new ATOM 0 HE ARG A 47 11.404 -0.122 4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.321 -2.932 6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.961 -2.667 7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.512 0.208 5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.195 -0.898 6.269 1.00 0.00 H new ATOM 673 N LEU A 48 8.987 0.817 0.855 1.00 0.00 N ATOM 674 CA LEU A 48 9.481 0.661 -0.508 1.00 0.00 C ATOM 675 C LEU A 48 10.659 1.594 -0.770 1.00 0.00 C ATOM 676 O LEU A 48 11.639 1.207 -1.406 1.00 0.00 O ATOM 677 CB LEU A 48 8.361 0.942 -1.513 1.00 0.00 C ATOM 678 CG LEU A 48 7.498 -0.257 -1.907 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.231 0.205 -2.610 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.284 -1.212 -2.794 1.00 0.00 C ATOM 0 H LEU A 48 7.972 0.776 0.942 1.00 0.00 H new ATOM 0 HA LEU A 48 9.821 -0.368 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.711 1.711 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.807 1.357 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 48 7.212 -0.788 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.629 -0.662 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.658 0.848 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.496 0.760 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.654 -2.059 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.600 -0.692 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.162 -1.570 -2.255 1.00 0.00 H new ATOM 692 N GLN A 49 10.557 2.823 -0.272 1.00 0.00 N ATOM 693 CA GLN A 49 11.616 3.808 -0.452 1.00 0.00 C ATOM 694 C GLN A 49 12.021 4.421 0.885 1.00 0.00 C ATOM 695 O GLN A 49 11.357 5.313 1.414 1.00 0.00 O ATOM 696 CB GLN A 49 11.159 4.908 -1.413 1.00 0.00 C ATOM 697 CG GLN A 49 11.477 4.614 -2.870 1.00 0.00 C ATOM 698 CD GLN A 49 10.957 5.684 -3.809 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.142 5.410 -4.691 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.426 6.912 -3.624 1.00 0.00 N ATOM 0 H GLN A 49 9.753 3.159 0.258 1.00 0.00 H new ATOM 0 HA GLN A 49 12.483 3.301 -0.876 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.083 5.049 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.633 5.847 -1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.556 4.523 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.044 3.653 -3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.100 7.094 -2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.112 7.674 -4.225 1.00 0.00 H new ATOM 709 N PRO A 50 13.137 3.932 1.445 1.00 0.00 N ATOM 710 CA PRO A 50 13.656 4.417 2.728 1.00 0.00 C ATOM 711 C PRO A 50 14.209 5.835 2.631 1.00 0.00 C ATOM 712 O PRO A 50 14.398 6.508 3.642 1.00 0.00 O ATOM 713 CB PRO A 50 14.777 3.427 3.054 1.00 0.00 C ATOM 714 CG PRO A 50 15.211 2.898 1.731 1.00 0.00 C ATOM 715 CD PRO A 50 13.978 2.868 0.872 1.00 0.00 C ATOM 0 HA PRO A 50 12.878 4.467 3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.600 3.918 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.422 2.627 3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.979 3.533 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.641 1.901 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.213 3.061 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.483 1.898 0.914 1.00 0.00 H new ATOM 723 N GLY A 51 14.465 6.282 1.405 1.00 0.00 N ATOM 724 CA GLY A 51 14.994 7.618 1.199 1.00 0.00 C ATOM 725 C GLY A 51 13.965 8.697 1.475 1.00 0.00 C ATOM 726 O GLY A 51 14.262 9.695 2.134 1.00 0.00 O ATOM 0 H GLY A 51 14.316 5.743 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.857 7.768 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.348 7.711 0.172 1.00 0.00 H new ATOM 730 N LEU A 52 12.753 8.500 0.969 1.00 0.00 N ATOM 731 CA LEU A 52 11.676 9.465 1.161 1.00 0.00 C ATOM 732 C LEU A 52 11.501 9.796 2.640 1.00 0.00 C ATOM 733 O LEU A 52 11.885 9.015 3.512 1.00 0.00 O ATOM 734 CB LEU A 52 10.367 8.920 0.591 1.00 0.00 C ATOM 735 CG LEU A 52 10.207 9.012 -0.927 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.367 7.855 -1.448 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.584 10.344 -1.319 1.00 0.00 C ATOM 0 H LEU A 52 12.491 7.680 0.422 1.00 0.00 H new ATOM 0 HA LEU A 52 11.942 10.379 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.274 7.874 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.540 9.456 1.057 1.00 0.00 H new ATOM 0 HG LEU A 52 11.196 8.949 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.264 7.938 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.854 6.912 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.380 7.885 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.478 10.391 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.603 10.438 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.225 11.159 -0.981 1.00 0.00 H new ATOM 749 N LEU A 53 10.917 10.957 2.916 1.00 0.00 N ATOM 750 CA LEU A 53 10.686 11.390 4.291 1.00 0.00 C ATOM 751 C LEU A 53 9.993 10.298 5.097 1.00 0.00 C ATOM 752 O LEU A 53 9.692 9.224 4.576 1.00 0.00 O ATOM 753 CB LEU A 53 9.844 12.667 4.308 1.00 0.00 C ATOM 754 CG LEU A 53 8.379 12.510 3.899 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.241 11.472 2.799 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.527 12.132 5.102 1.00 0.00 C ATOM 0 H LEU A 53 10.595 11.615 2.207 1.00 0.00 H new ATOM 0 HA LEU A 53 11.653 11.594 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.877 13.087 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.310 13.395 3.644 1.00 0.00 H new ATOM 0 HG LEU A 53 8.025 13.466 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.192 11.374 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.819 11.784 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.613 10.512 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.487 12.025 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.881 11.188 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.601 12.912 5.860 1.00 0.00 H new ATOM 768 N GLU A 54 9.741 10.580 6.371 1.00 0.00 N ATOM 769 CA GLU A 54 9.081 9.621 7.250 1.00 0.00 C ATOM 770 C GLU A 54 7.709 10.132 7.678 1.00 0.00 C ATOM 771 O GLU A 54 7.417 11.326 7.622 1.00 0.00 O ATOM 772 CB GLU A 54 9.944 9.347 8.483 1.00 0.00 C ATOM 773 CG GLU A 54 10.999 8.277 8.261 1.00 0.00 C ATOM 774 CD GLU A 54 11.875 8.058 9.481 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.404 7.409 10.439 1.00 0.00 O ATOM 776 OE2 GLU A 54 13.027 8.537 9.478 1.00 0.00 O ATOM 0 H GLU A 54 9.984 11.464 6.818 1.00 0.00 H new ATOM 0 HA GLU A 54 8.947 8.691 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.435 10.272 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.299 9.044 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.510 7.339 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.625 8.560 7.415 1.00 0.00 H new ATOM 783 N PRO A 55 6.843 9.205 8.119 1.00 0.00 N ATOM 784 CA PRO A 55 5.488 9.537 8.567 1.00 0.00 C ATOM 785 C PRO A 55 5.484 10.306 9.882 1.00 0.00 C ATOM 786 O PRO A 55 4.430 10.531 10.478 1.00 0.00 O ATOM 787 CB PRO A 55 4.829 8.167 8.746 1.00 0.00 C ATOM 788 CG PRO A 55 5.960 7.233 9.005 1.00 0.00 C ATOM 789 CD PRO A 55 7.124 7.763 8.213 1.00 0.00 C ATOM 0 HA PRO A 55 4.972 10.185 7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.123 8.173 9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.272 7.876 7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.197 7.193 10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.707 6.219 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.072 7.570 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.184 7.300 7.228 1.00 0.00 H new ATOM 797 N SER A 56 6.669 10.708 10.332 1.00 0.00 N ATOM 798 CA SER A 56 6.802 11.450 11.580 1.00 0.00 C ATOM 799 C SER A 56 5.575 12.324 11.826 1.00 0.00 C ATOM 800 O SER A 56 5.135 12.487 12.963 1.00 0.00 O ATOM 801 CB SER A 56 8.062 12.317 11.550 1.00 0.00 C ATOM 802 OG SER A 56 9.232 11.520 11.631 1.00 0.00 O ATOM 0 H SER A 56 7.551 10.532 9.850 1.00 0.00 H new ATOM 0 HA SER A 56 6.883 10.731 12.395 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.081 12.904 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.041 13.023 12.380 1.00 0.00 H new ATOM 0 HG SER A 56 10.023 12.098 11.608 1.00 0.00 H new ATOM 808 N GLU A 57 5.031 12.884 10.750 1.00 0.00 N ATOM 809 CA GLU A 57 3.855 13.742 10.849 1.00 0.00 C ATOM 810 C GLU A 57 2.573 12.923 10.738 1.00 0.00 C ATOM 811 O GLU A 57 1.607 13.158 11.466 1.00 0.00 O ATOM 812 CB GLU A 57 3.886 14.814 9.758 1.00 0.00 C ATOM 813 CG GLU A 57 5.159 15.643 9.755 1.00 0.00 C ATOM 814 CD GLU A 57 6.333 14.909 9.136 1.00 0.00 C ATOM 815 OE1 GLU A 57 6.167 14.353 8.030 1.00 0.00 O ATOM 816 OE2 GLU A 57 7.415 14.887 9.758 1.00 0.00 O ATOM 0 H GLU A 57 5.385 12.760 9.801 1.00 0.00 H new ATOM 0 HA GLU A 57 3.871 14.227 11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.773 14.334 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.031 15.477 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.984 16.568 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.409 15.922 10.779 1.00 0.00 H new ATOM 823 N LEU A 58 2.570 11.962 9.820 1.00 0.00 N ATOM 824 CA LEU A 58 1.406 11.107 9.612 1.00 0.00 C ATOM 825 C LEU A 58 0.973 10.448 10.917 1.00 0.00 C ATOM 826 O LEU A 58 -0.173 10.023 11.058 1.00 0.00 O ATOM 827 CB LEU A 58 1.716 10.036 8.564 1.00 0.00 C ATOM 828 CG LEU A 58 1.477 10.432 7.107 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.471 11.499 6.674 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.571 9.214 6.201 1.00 0.00 C ATOM 0 H LEU A 58 3.360 11.756 9.208 1.00 0.00 H new ATOM 0 HA LEU A 58 0.587 11.731 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.760 9.742 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.112 9.156 8.784 1.00 0.00 H new ATOM 0 HG LEU A 58 0.472 10.845 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.286 11.768 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.355 12.381 7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.485 11.113 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.398 9.515 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.563 8.771 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.819 8.482 6.496 1.00 0.00 H new ATOM 842 N GLN A 59 1.898 10.369 11.869 1.00 0.00 N ATOM 843 CA GLN A 59 1.610 9.763 13.163 1.00 0.00 C ATOM 844 C GLN A 59 0.420 10.445 13.832 1.00 0.00 C ATOM 845 O GLN A 59 -0.417 9.789 14.450 1.00 0.00 O ATOM 846 CB GLN A 59 2.837 9.846 14.073 1.00 0.00 C ATOM 847 CG GLN A 59 3.949 8.885 13.683 1.00 0.00 C ATOM 848 CD GLN A 59 4.947 8.663 14.802 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.341 9.603 15.494 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.364 7.416 14.986 1.00 0.00 N ATOM 0 H GLN A 59 2.852 10.717 11.768 1.00 0.00 H new ATOM 0 HA GLN A 59 1.359 8.715 12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.225 10.864 14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.533 9.640 15.099 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.513 7.928 13.395 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.470 9.274 12.808 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.012 6.667 14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.037 7.207 15.724 1.00 0.00 H new ATOM 859 N GLY A 60 0.352 11.767 13.703 1.00 0.00 N ATOM 860 CA GLY A 60 -0.738 12.516 14.299 1.00 0.00 C ATOM 861 C GLY A 60 -1.658 13.128 13.261 1.00 0.00 C ATOM 862 O GLY A 60 -2.034 14.296 13.365 1.00 0.00 O ATOM 0 H GLY A 60 1.033 12.332 13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.315 11.857 14.948 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.330 13.306 14.929 1.00 0.00 H new ATOM 866 N LEU A 61 -2.020 12.338 12.255 1.00 0.00 N ATOM 867 CA LEU A 61 -2.900 12.810 11.192 1.00 0.00 C ATOM 868 C LEU A 61 -4.211 12.032 11.184 1.00 0.00 C ATOM 869 O LEU A 61 -4.413 11.129 11.996 1.00 0.00 O ATOM 870 CB LEU A 61 -2.208 12.679 9.834 1.00 0.00 C ATOM 871 CG LEU A 61 -1.361 13.873 9.394 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.553 13.527 8.152 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.243 15.086 9.136 1.00 0.00 C ATOM 0 H LEU A 61 -1.718 11.369 12.154 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.124 13.860 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.570 11.796 9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.971 12.501 9.076 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.667 14.117 10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.043 14.389 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.107 12.687 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.230 13.256 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.623 15.927 8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.961 14.853 8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.777 15.348 10.049 1.00 0.00 H new ATOM 885 N GLY A 62 -5.099 12.385 10.261 1.00 0.00 N ATOM 886 CA GLY A 62 -6.379 11.708 10.164 1.00 0.00 C ATOM 887 C GLY A 62 -6.318 10.476 9.284 1.00 0.00 C ATOM 888 O GLY A 62 -5.460 10.373 8.408 1.00 0.00 O ATOM 0 H GLY A 62 -4.955 13.129 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.712 11.422 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.122 12.399 9.766 1.00 0.00 H new ATOM 892 N ALA A 63 -7.229 9.537 9.517 1.00 0.00 N ATOM 893 CA ALA A 63 -7.276 8.306 8.739 1.00 0.00 C ATOM 894 C ALA A 63 -7.128 8.594 7.249 1.00 0.00 C ATOM 895 O ALA A 63 -6.451 7.859 6.528 1.00 0.00 O ATOM 896 CB ALA A 63 -8.573 7.559 9.009 1.00 0.00 C ATOM 0 H ALA A 63 -7.945 9.606 10.240 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.439 7.679 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.594 6.642 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.637 7.312 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.419 8.187 8.731 1.00 0.00 H new ATOM 902 N LEU A 64 -7.767 9.665 6.792 1.00 0.00 N ATOM 903 CA LEU A 64 -7.707 10.049 5.386 1.00 0.00 C ATOM 904 C LEU A 64 -6.430 10.827 5.087 1.00 0.00 C ATOM 905 O LEU A 64 -5.713 10.519 4.135 1.00 0.00 O ATOM 906 CB LEU A 64 -8.929 10.891 5.015 1.00 0.00 C ATOM 907 CG LEU A 64 -9.428 10.754 3.575 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.786 9.308 3.270 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.623 11.665 3.336 1.00 0.00 C ATOM 0 H LEU A 64 -8.332 10.283 7.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.704 9.139 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.745 10.627 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.692 11.939 5.198 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.626 11.057 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.139 9.230 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.905 8.680 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.571 8.977 3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.965 11.555 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.429 11.394 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.332 12.701 3.513 1.00 0.00 H new ATOM 921 N GLU A 65 -6.152 11.835 5.908 1.00 0.00 N ATOM 922 CA GLU A 65 -4.960 12.656 5.732 1.00 0.00 C ATOM 923 C GLU A 65 -3.750 11.792 5.386 1.00 0.00 C ATOM 924 O GLU A 65 -2.923 12.167 4.554 1.00 0.00 O ATOM 925 CB GLU A 65 -4.676 13.462 7.001 1.00 0.00 C ATOM 926 CG GLU A 65 -5.817 14.381 7.405 1.00 0.00 C ATOM 927 CD GLU A 65 -6.272 15.281 6.272 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.413 15.959 5.672 1.00 0.00 O ATOM 929 OE2 GLU A 65 -7.487 15.304 5.985 1.00 0.00 O ATOM 0 H GLU A 65 -6.736 12.102 6.701 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.143 13.343 4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.468 12.773 7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.776 14.058 6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.659 13.779 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.502 14.996 8.248 1.00 0.00 H new ATOM 936 N ALA A 66 -3.654 10.633 6.029 1.00 0.00 N ATOM 937 CA ALA A 66 -2.548 9.715 5.789 1.00 0.00 C ATOM 938 C ALA A 66 -2.593 9.162 4.368 1.00 0.00 C ATOM 939 O ALA A 66 -1.609 9.235 3.631 1.00 0.00 O ATOM 940 CB ALA A 66 -2.576 8.579 6.800 1.00 0.00 C ATOM 0 H ALA A 66 -4.329 10.308 6.721 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.616 10.269 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.744 7.901 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.488 8.986 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.516 8.035 6.710 1.00 0.00 H new ATOM 946 N THR A 67 -3.740 8.608 3.989 1.00 0.00 N ATOM 947 CA THR A 67 -3.911 8.041 2.657 1.00 0.00 C ATOM 948 C THR A 67 -3.506 9.039 1.578 1.00 0.00 C ATOM 949 O THR A 67 -2.927 8.663 0.560 1.00 0.00 O ATOM 950 CB THR A 67 -5.369 7.605 2.416 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.886 6.956 3.583 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.462 6.666 1.223 1.00 0.00 C ATOM 0 H THR A 67 -4.565 8.540 4.586 1.00 0.00 H new ATOM 0 HA THR A 67 -3.263 7.166 2.600 1.00 0.00 H new ATOM 0 HB THR A 67 -5.961 8.495 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.664 6.413 3.338 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.500 6.371 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.095 7.174 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.857 5.779 1.410 1.00 0.00 H new ATOM 960 N ALA A 68 -3.814 10.311 1.810 1.00 0.00 N ATOM 961 CA ALA A 68 -3.478 11.362 0.858 1.00 0.00 C ATOM 962 C ALA A 68 -2.006 11.299 0.467 1.00 0.00 C ATOM 963 O ALA A 68 -1.672 11.193 -0.713 1.00 0.00 O ATOM 964 CB ALA A 68 -3.813 12.727 1.440 1.00 0.00 C ATOM 0 H ALA A 68 -4.295 10.638 2.648 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.073 11.206 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.557 13.503 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.879 12.776 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.243 12.882 2.356 1.00 0.00 H new ATOM 970 N TRP A 69 -1.130 11.367 1.463 1.00 0.00 N ATOM 971 CA TRP A 69 0.307 11.318 1.222 1.00 0.00 C ATOM 972 C TRP A 69 0.686 10.065 0.440 1.00 0.00 C ATOM 973 O TRP A 69 1.219 10.149 -0.666 1.00 0.00 O ATOM 974 CB TRP A 69 1.070 11.357 2.547 1.00 0.00 C ATOM 975 CG TRP A 69 2.549 11.174 2.388 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.480 12.154 2.193 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.266 9.934 2.407 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.732 11.598 2.090 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.628 10.237 2.219 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.889 8.598 2.568 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.612 9.254 2.186 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.867 7.622 2.535 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.216 7.954 2.346 1.00 0.00 C ATOM 0 H TRP A 69 -1.390 11.456 2.445 1.00 0.00 H new ATOM 0 HA TRP A 69 0.580 12.191 0.628 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.880 12.311 3.039 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.683 10.577 3.203 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.264 13.210 2.129 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.599 12.114 1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.852 8.333 2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.651 9.508 2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.587 6.586 2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.957 7.168 2.326 1.00 0.00 H new ATOM 994 N ALA A 70 0.407 8.903 1.023 1.00 0.00 N ATOM 995 CA ALA A 70 0.718 7.632 0.379 1.00 0.00 C ATOM 996 C ALA A 70 0.448 7.696 -1.121 1.00 0.00 C ATOM 997 O ALA A 70 1.343 7.462 -1.933 1.00 0.00 O ATOM 998 CB ALA A 70 -0.089 6.509 1.015 1.00 0.00 C ATOM 0 H ALA A 70 -0.033 8.816 1.939 1.00 0.00 H new ATOM 0 HA ALA A 70 1.779 7.429 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.152 5.565 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.155 6.441 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.153 6.716 0.900 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.791 8.015 -1.482 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.178 8.109 -2.885 1.00 0.00 C ATOM 1006 C LEU A 71 -0.324 9.139 -3.618 1.00 0.00 C ATOM 1007 O LEU A 71 -0.097 9.029 -4.823 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.657 8.482 -3.002 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.657 7.363 -2.704 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.954 7.938 -2.159 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.921 6.536 -3.954 1.00 0.00 C ATOM 0 H LEU A 71 -1.544 8.213 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.017 7.135 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.857 9.311 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.840 8.846 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.226 6.710 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.653 7.127 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.751 8.485 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.389 8.614 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.634 5.745 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.330 7.177 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.988 6.093 -4.301 1.00 0.00 H new ATOM 1023 N LYS A 72 0.149 10.139 -2.882 1.00 0.00 N ATOM 1024 CA LYS A 72 0.982 11.186 -3.460 1.00 0.00 C ATOM 1025 C LYS A 72 2.399 10.678 -3.713 1.00 0.00 C ATOM 1026 O LYS A 72 2.833 10.571 -4.860 1.00 0.00 O ATOM 1027 CB LYS A 72 1.025 12.403 -2.532 1.00 0.00 C ATOM 1028 CG LYS A 72 1.446 13.685 -3.228 1.00 0.00 C ATOM 1029 CD LYS A 72 2.151 14.633 -2.272 1.00 0.00 C ATOM 1030 CE LYS A 72 1.162 15.549 -1.567 1.00 0.00 C ATOM 1031 NZ LYS A 72 1.792 16.836 -1.160 1.00 0.00 N ATOM 0 H LYS A 72 -0.031 10.246 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 72 0.543 11.478 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.039 12.547 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.715 12.201 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.108 13.447 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.569 14.177 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.708 14.058 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.877 15.233 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.319 15.750 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.764 15.045 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.086 17.433 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.581 16.646 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.149 17.329 -2.003 1.00 0.00 H new ATOM 1045 N VAL A 73 3.112 10.365 -2.637 1.00 0.00 N ATOM 1046 CA VAL A 73 4.478 9.865 -2.744 1.00 0.00 C ATOM 1047 C VAL A 73 4.551 8.664 -3.678 1.00 0.00 C ATOM 1048 O VAL A 73 5.584 8.407 -4.295 1.00 0.00 O ATOM 1049 CB VAL A 73 5.038 9.466 -1.366 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.302 8.635 -1.524 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.305 10.702 -0.521 1.00 0.00 C ATOM 0 H VAL A 73 2.767 10.449 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 73 5.082 10.676 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 73 4.293 8.858 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.683 8.362 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.075 7.731 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.055 9.216 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.700 10.401 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.031 11.339 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.376 11.253 -0.379 1.00 0.00 H new ATOM 1061 N ALA A 74 3.448 7.930 -3.779 1.00 0.00 N ATOM 1062 CA ALA A 74 3.387 6.756 -4.640 1.00 0.00 C ATOM 1063 C ALA A 74 3.234 7.157 -6.103 1.00 0.00 C ATOM 1064 O ALA A 74 3.749 6.484 -6.997 1.00 0.00 O ATOM 1065 CB ALA A 74 2.240 5.849 -4.216 1.00 0.00 C ATOM 0 H ALA A 74 2.584 8.128 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 74 4.325 6.210 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.206 4.976 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.392 5.527 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.299 6.394 -4.290 1.00 0.00 H new ATOM 1071 N GLU A 75 2.523 8.254 -6.341 1.00 0.00 N ATOM 1072 CA GLU A 75 2.303 8.742 -7.698 1.00 0.00 C ATOM 1073 C GLU A 75 3.461 9.627 -8.152 1.00 0.00 C ATOM 1074 O GLU A 75 3.661 9.839 -9.348 1.00 0.00 O ATOM 1075 CB GLU A 75 0.989 9.523 -7.775 1.00 0.00 C ATOM 1076 CG GLU A 75 0.684 10.065 -9.162 1.00 0.00 C ATOM 1077 CD GLU A 75 1.487 11.307 -9.493 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.999 11.951 -8.554 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.603 11.636 -10.692 1.00 0.00 O ATOM 0 H GLU A 75 2.090 8.822 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 75 2.245 7.880 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.172 8.875 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.028 10.353 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.893 9.294 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.379 10.295 -9.232 1.00 0.00 H new ATOM 1086 N ASN A 76 4.220 10.140 -7.189 1.00 0.00 N ATOM 1087 CA ASN A 76 5.357 11.002 -7.490 1.00 0.00 C ATOM 1088 C ASN A 76 6.640 10.187 -7.612 1.00 0.00 C ATOM 1089 O ASN A 76 7.255 10.134 -8.677 1.00 0.00 O ATOM 1090 CB ASN A 76 5.517 12.067 -6.404 1.00 0.00 C ATOM 1091 CG ASN A 76 4.483 13.171 -6.520 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.170 13.630 -7.618 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.949 13.602 -5.383 1.00 0.00 N ATOM 0 H ASN A 76 4.068 9.974 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 76 5.167 11.492 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.435 11.598 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.515 12.500 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.249 14.343 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.239 13.192 -4.495 1.00 0.00 H new ATOM 1100 N GLU A 77 7.038 9.551 -6.514 1.00 0.00 N ATOM 1101 CA GLU A 77 8.248 8.739 -6.498 1.00 0.00 C ATOM 1102 C GLU A 77 8.041 7.438 -7.269 1.00 0.00 C ATOM 1103 O GLU A 77 8.605 7.244 -8.346 1.00 0.00 O ATOM 1104 CB GLU A 77 8.664 8.430 -5.058 1.00 0.00 C ATOM 1105 CG GLU A 77 9.606 9.462 -4.462 1.00 0.00 C ATOM 1106 CD GLU A 77 10.720 9.854 -5.414 1.00 0.00 C ATOM 1107 OE1 GLU A 77 10.527 10.810 -6.194 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.786 9.204 -5.378 1.00 0.00 O ATOM 0 H GLU A 77 6.540 9.583 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 77 9.041 9.307 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.771 8.364 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.145 7.452 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.038 10.351 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.040 9.065 -3.544 1.00 0.00 H new ATOM 1115 N LEU A 78 7.228 6.549 -6.709 1.00 0.00 N ATOM 1116 CA LEU A 78 6.945 5.266 -7.342 1.00 0.00 C ATOM 1117 C LEU A 78 6.269 5.463 -8.696 1.00 0.00 C ATOM 1118 O LEU A 78 6.410 4.639 -9.597 1.00 0.00 O ATOM 1119 CB LEU A 78 6.057 4.412 -6.435 1.00 0.00 C ATOM 1120 CG LEU A 78 6.414 4.417 -4.949 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.431 3.565 -4.160 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.838 3.921 -4.741 1.00 0.00 C ATOM 0 H LEU A 78 6.753 6.693 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 78 7.892 4.751 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.028 4.754 -6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.090 3.383 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 78 6.350 5.442 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.702 3.581 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.424 3.964 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.462 2.539 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.075 3.931 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.929 2.904 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.531 4.572 -5.274 1.00 0.00 H new ATOM 1134 N GLY A 79 5.536 6.565 -8.830 1.00 0.00 N ATOM 1135 CA GLY A 79 4.851 6.851 -10.077 1.00 0.00 C ATOM 1136 C GLY A 79 3.609 6.003 -10.264 1.00 0.00 C ATOM 1137 O GLY A 79 3.002 6.009 -11.336 1.00 0.00 O ATOM 0 H GLY A 79 5.405 7.263 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.575 7.905 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.533 6.680 -10.910 1.00 0.00 H new ATOM 1141 N ILE A 80 3.230 5.272 -9.222 1.00 0.00 N ATOM 1142 CA ILE A 80 2.053 4.414 -9.278 1.00 0.00 C ATOM 1143 C ILE A 80 0.772 5.241 -9.310 1.00 0.00 C ATOM 1144 O ILE A 80 0.121 5.439 -8.283 1.00 0.00 O ATOM 1145 CB ILE A 80 2.000 3.452 -8.076 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.267 2.595 -8.025 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.762 2.572 -8.157 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.450 1.714 -9.241 1.00 0.00 C ATOM 0 H ILE A 80 3.721 5.256 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 80 2.130 3.831 -10.196 1.00 0.00 H new ATOM 0 HB ILE A 80 1.945 4.040 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.134 3.248 -7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.236 1.968 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.738 1.898 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.130 3.198 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.790 1.989 -9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.368 1.135 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.601 1.036 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.513 2.335 -10.134 1.00 0.00 H new ATOM 1160 N THR A 81 0.414 5.721 -10.497 1.00 0.00 N ATOM 1161 CA THR A 81 -0.791 6.526 -10.664 1.00 0.00 C ATOM 1162 C THR A 81 -1.908 6.038 -9.749 1.00 0.00 C ATOM 1163 O THR A 81 -2.169 4.841 -9.630 1.00 0.00 O ATOM 1164 CB THR A 81 -1.286 6.498 -12.122 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.218 6.844 -13.010 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.447 7.463 -12.316 1.00 0.00 C ATOM 0 H THR A 81 0.941 5.567 -11.357 1.00 0.00 H new ATOM 0 HA THR A 81 -0.529 7.550 -10.397 1.00 0.00 H new ATOM 0 HB THR A 81 -1.630 5.488 -12.347 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.541 6.822 -13.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.781 7.427 -13.353 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.270 7.179 -11.660 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.123 8.475 -12.074 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.588 6.986 -9.087 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.690 6.677 -8.172 1.00 0.00 C ATOM 1176 C PRO A 82 -4.926 6.167 -8.905 1.00 0.00 C ATOM 1177 O PRO A 82 -5.656 6.941 -9.525 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.983 8.022 -7.502 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.514 9.043 -8.481 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.331 8.434 -9.180 1.00 0.00 C ATOM 0 HA PRO A 82 -3.428 5.884 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.046 8.136 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.457 8.114 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.302 9.292 -9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.235 9.968 -7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.263 8.764 -10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.394 8.708 -8.696 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.155 4.860 -8.830 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.304 4.246 -9.486 1.00 0.00 C ATOM 1190 C VAL A 83 -7.577 4.457 -8.673 1.00 0.00 C ATOM 1191 O VAL A 83 -8.677 4.507 -9.225 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.089 2.736 -9.699 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.445 1.963 -8.439 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.904 2.245 -10.885 1.00 0.00 C ATOM 0 H VAL A 83 -4.560 4.206 -8.322 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.411 4.730 -10.457 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.035 2.563 -9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.287 0.898 -8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.813 2.297 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.491 2.139 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.740 1.176 -11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.962 2.429 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.594 2.777 -11.785 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.421 4.581 -7.360 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.558 4.788 -6.470 1.00 0.00 C ATOM 1206 C VAL A 84 -8.437 6.111 -5.724 1.00 0.00 C ATOM 1207 O VAL A 84 -7.334 6.566 -5.420 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.686 3.644 -5.448 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.750 3.971 -4.410 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.002 2.332 -6.152 1.00 0.00 C ATOM 0 H VAL A 84 -6.518 4.542 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.451 4.807 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.732 3.533 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.826 3.151 -3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.476 4.886 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.711 4.111 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.089 1.535 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.942 2.428 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.201 2.093 -6.852 1.00 0.00 H new ATOM 1220 N SER A 85 -9.579 6.724 -5.429 1.00 0.00 N ATOM 1221 CA SER A 85 -9.602 7.998 -4.720 1.00 0.00 C ATOM 1222 C SER A 85 -9.390 7.791 -3.224 1.00 0.00 C ATOM 1223 O SER A 85 -10.084 6.995 -2.591 1.00 0.00 O ATOM 1224 CB SER A 85 -10.930 8.718 -4.964 1.00 0.00 C ATOM 1225 OG SER A 85 -11.114 8.995 -6.341 1.00 0.00 O ATOM 0 H SER A 85 -10.500 6.359 -5.670 1.00 0.00 H new ATOM 0 HA SER A 85 -8.788 8.613 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.753 8.103 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.953 9.648 -4.396 1.00 0.00 H new ATOM 0 HG SER A 85 -11.970 9.454 -6.471 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.426 8.514 -2.663 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.123 8.411 -1.241 1.00 0.00 C ATOM 1233 C ALA A 86 -9.386 8.152 -0.428 1.00 0.00 C ATOM 1234 O ALA A 86 -9.390 7.320 0.480 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.431 9.677 -0.756 1.00 0.00 C ATOM 0 H ALA A 86 -7.842 9.177 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.451 7.565 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.211 9.586 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.502 9.818 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.084 10.534 -0.919 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.456 8.869 -0.759 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.724 8.716 -0.057 1.00 0.00 C ATOM 1243 C GLN A 87 -12.271 7.302 -0.224 1.00 0.00 C ATOM 1244 O GLN A 87 -12.546 6.613 0.758 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.742 9.734 -0.574 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.937 9.920 0.348 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.831 11.068 -0.080 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.349 12.139 -0.451 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.140 10.851 -0.029 1.00 0.00 N ATOM 0 H GLN A 87 -10.469 9.561 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.548 8.895 1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.246 10.695 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.096 9.416 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.520 8.999 0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.583 10.099 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.495 9.948 0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.790 11.587 -0.304 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.427 6.877 -1.473 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.941 5.544 -1.768 1.00 0.00 C ATOM 1260 C ALA A 88 -12.205 4.482 -0.958 1.00 0.00 C ATOM 1261 O ALA A 88 -12.821 3.559 -0.424 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.823 5.252 -3.257 1.00 0.00 C ATOM 0 H ALA A 88 -12.205 7.436 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.993 5.515 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.210 4.254 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.398 5.988 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.776 5.304 -3.556 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.886 4.617 -0.873 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.067 3.668 -0.128 1.00 0.00 C ATOM 1270 C VAL A 89 -10.568 3.516 1.304 1.00 0.00 C ATOM 1271 O VAL A 89 -10.947 2.425 1.728 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.590 4.102 -0.100 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.776 3.172 0.787 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.020 4.141 -1.510 1.00 0.00 C ATOM 0 H VAL A 89 -10.361 5.374 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.146 2.710 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.533 5.107 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.735 3.495 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.171 3.199 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.838 2.155 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.975 4.450 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.089 3.150 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.586 4.852 -2.112 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.567 4.619 2.047 1.00 0.00 N ATOM 1285 CA VAL A 90 -11.022 4.610 3.432 1.00 0.00 C ATOM 1286 C VAL A 90 -12.509 4.286 3.518 1.00 0.00 C ATOM 1287 O VAL A 90 -12.909 3.332 4.186 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.763 5.964 4.117 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.281 5.948 5.546 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.279 6.302 4.083 1.00 0.00 C ATOM 0 H VAL A 90 -10.256 5.531 1.712 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.453 3.836 3.948 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.302 6.737 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.089 6.914 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.354 5.754 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.773 5.165 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.113 7.262 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.717 5.528 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.942 6.359 3.048 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.325 5.086 2.840 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.768 4.882 2.838 1.00 0.00 C ATOM 1302 C ALA A 91 -15.117 3.424 2.557 1.00 0.00 C ATOM 1303 O ALA A 91 -16.223 2.974 2.850 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.428 5.792 1.812 1.00 0.00 C ATOM 0 H ALA A 91 -13.011 5.882 2.285 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.147 5.134 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.506 5.629 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.216 6.832 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.036 5.567 0.820 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.165 2.692 1.987 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.392 1.293 1.676 1.00 0.00 C ATOM 1312 C GLY A 92 -15.561 1.091 0.733 1.00 0.00 C ATOM 1313 O GLY A 92 -16.165 0.019 0.702 1.00 0.00 O ATOM 0 H GLY A 92 -13.241 3.043 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.491 0.873 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.575 0.744 2.600 1.00 0.00 H new ATOM 1317 N SER A 93 -15.884 2.125 -0.038 1.00 0.00 N ATOM 1318 CA SER A 93 -16.992 2.058 -0.982 1.00 0.00 C ATOM 1319 C SER A 93 -16.608 1.248 -2.215 1.00 0.00 C ATOM 1320 O SER A 93 -17.400 0.453 -2.722 1.00 0.00 O ATOM 1321 CB SER A 93 -17.423 3.467 -1.398 1.00 0.00 C ATOM 1322 OG SER A 93 -16.713 3.899 -2.545 1.00 0.00 O ATOM 0 H SER A 93 -15.393 3.019 -0.027 1.00 0.00 H new ATOM 0 HA SER A 93 -17.827 1.561 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.493 3.478 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.249 4.161 -0.576 1.00 0.00 H new ATOM 0 HG SER A 93 -17.007 4.801 -2.792 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.386 1.455 -2.694 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.893 0.744 -3.868 1.00 0.00 C ATOM 1330 C ASP A 94 -13.753 -0.196 -3.495 1.00 0.00 C ATOM 1331 O ASP A 94 -12.575 0.156 -3.568 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.425 1.737 -4.933 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.433 2.842 -5.178 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.453 2.577 -5.847 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.201 3.973 -4.701 1.00 0.00 O ATOM 0 H ASP A 94 -14.718 2.110 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.712 0.149 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.477 2.177 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.240 1.204 -5.866 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.107 -1.423 -3.083 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.127 -2.440 -2.689 1.00 0.00 C ATOM 1342 C PRO A 95 -12.326 -2.963 -3.875 1.00 0.00 C ATOM 1343 O PRO A 95 -11.160 -3.336 -3.735 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.992 -3.555 -2.094 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.323 -3.388 -2.743 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.492 -1.912 -2.971 1.00 0.00 C ATOM 0 HA PRO A 95 -12.384 -2.043 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.570 -4.538 -2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.066 -3.464 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.369 -3.936 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.118 -3.778 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.064 -1.708 -3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.021 -1.436 -2.145 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.957 -2.989 -5.044 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.301 -3.467 -6.257 1.00 0.00 C ATOM 1356 C LEU A 96 -11.119 -2.576 -6.624 1.00 0.00 C ATOM 1357 O LEU A 96 -10.027 -3.064 -6.913 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.299 -3.511 -7.416 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.300 -4.667 -7.394 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.556 -4.271 -6.634 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.647 -5.099 -8.811 1.00 0.00 C ATOM 0 H LEU A 96 -13.921 -2.685 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.929 -4.474 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.856 -2.574 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.739 -3.559 -8.350 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.840 -5.511 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.257 -5.106 -6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.294 -4.011 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.019 -3.412 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.360 -5.922 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.087 -4.260 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.742 -5.425 -9.324 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.344 -1.266 -6.606 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.287 -0.327 -6.937 1.00 0.00 C ATOM 1375 C GLY A 97 -9.024 -0.569 -6.134 1.00 0.00 C ATOM 1376 O GLY A 97 -7.943 -0.740 -6.698 1.00 0.00 O ATOM 0 H GLY A 97 -12.239 -0.838 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.058 -0.402 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.639 0.689 -6.758 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.159 -0.584 -4.812 1.00 0.00 N ATOM 1381 CA LEU A 98 -8.020 -0.805 -3.929 1.00 0.00 C ATOM 1382 C LEU A 98 -7.197 -2.003 -4.391 1.00 0.00 C ATOM 1383 O LEU A 98 -6.011 -1.873 -4.693 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.498 -1.024 -2.492 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.434 -1.474 -1.492 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.381 -0.393 -1.309 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -8.072 -1.831 -0.157 1.00 0.00 C ATOM 0 H LEU A 98 -10.046 -0.446 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.388 0.082 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.937 -0.094 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.294 -1.769 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.946 -2.364 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.632 -0.732 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.901 -0.187 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.854 0.516 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.299 -2.149 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.588 -0.959 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.787 -2.641 -0.301 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.835 -3.167 -4.445 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.164 -4.387 -4.874 1.00 0.00 C ATOM 1401 C ILE A 99 -6.347 -4.150 -6.140 1.00 0.00 C ATOM 1402 O ILE A 99 -5.184 -4.543 -6.224 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.170 -5.524 -5.133 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.917 -5.875 -3.844 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.456 -6.747 -5.686 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.139 -6.737 -4.070 1.00 0.00 C ATOM 0 H ILE A 99 -8.817 -3.291 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.498 -4.680 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.896 -5.186 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.236 -6.394 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.219 -4.954 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.180 -7.542 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.964 -6.488 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.711 -7.089 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.618 -6.946 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.839 -6.212 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.841 -7.675 -4.540 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.965 -3.502 -7.123 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.294 -3.207 -8.384 1.00 0.00 C ATOM 1420 C ALA A 100 -5.174 -2.192 -8.185 1.00 0.00 C ATOM 1421 O ALA A 100 -4.188 -2.189 -8.923 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.297 -2.696 -9.407 1.00 0.00 C ATOM 0 H ALA A 100 -7.929 -3.172 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.850 -4.130 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.783 -2.480 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.060 -3.455 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.767 -1.787 -9.033 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.332 -1.331 -7.187 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.335 -0.308 -6.894 1.00 0.00 C ATOM 1430 C TYR A 101 -3.059 -0.934 -6.337 1.00 0.00 C ATOM 1431 O TYR A 101 -1.963 -0.694 -6.846 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.894 0.709 -5.897 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.958 1.864 -5.622 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.405 2.599 -6.664 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.627 2.222 -4.321 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.550 3.655 -6.419 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.774 3.278 -4.066 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.237 3.991 -5.119 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.385 5.043 -4.868 1.00 0.00 O ATOM 0 H TYR A 101 -6.141 -1.321 -6.566 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.091 0.203 -7.826 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.837 1.100 -6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.116 0.201 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.648 2.339 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.044 1.665 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.129 4.215 -7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.529 3.544 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.467 5.708 -5.583 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.211 -1.738 -5.291 1.00 0.00 N ATOM 1450 CA LEU A 102 -2.072 -2.401 -4.665 1.00 0.00 C ATOM 1451 C LEU A 102 -1.288 -3.218 -5.687 1.00 0.00 C ATOM 1452 O LEU A 102 -0.056 -3.220 -5.682 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.547 -3.307 -3.527 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.175 -2.600 -2.325 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.512 -3.604 -1.233 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.244 -1.522 -1.793 1.00 0.00 C ATOM 0 H LEU A 102 -4.111 -1.947 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.414 -1.633 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.274 -4.012 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.697 -3.892 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.100 -2.123 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.958 -3.084 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.218 -4.339 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.602 -4.110 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.708 -1.030 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.302 -1.975 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.054 -0.787 -2.575 1.00 0.00 H new ATOM 1468 N SER A 103 -2.009 -3.909 -6.563 1.00 0.00 N ATOM 1469 CA SER A 103 -1.381 -4.731 -7.590 1.00 0.00 C ATOM 1470 C SER A 103 -0.282 -3.956 -8.310 1.00 0.00 C ATOM 1471 O SER A 103 0.769 -4.507 -8.640 1.00 0.00 O ATOM 1472 CB SER A 103 -2.425 -5.212 -8.599 1.00 0.00 C ATOM 1473 OG SER A 103 -2.571 -4.287 -9.663 1.00 0.00 O ATOM 0 H SER A 103 -3.029 -3.916 -6.582 1.00 0.00 H new ATOM 0 HA SER A 103 -0.932 -5.596 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.131 -6.184 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.383 -5.349 -8.098 1.00 0.00 H new ATOM 0 HG SER A 103 -3.098 -3.519 -9.359 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.532 -2.673 -8.551 1.00 0.00 N ATOM 1480 CA HIS A 104 0.437 -1.820 -9.231 1.00 0.00 C ATOM 1481 C HIS A 104 1.760 -1.787 -8.472 1.00 0.00 C ATOM 1482 O HIS A 104 2.830 -1.926 -9.064 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.116 -0.401 -9.376 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.152 -0.269 -10.449 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.354 0.893 -11.162 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.047 -1.163 -10.931 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.328 0.710 -12.035 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.766 -0.531 -11.916 1.00 0.00 N ATOM 0 H HIS A 104 -1.397 -2.201 -8.286 1.00 0.00 H new ATOM 0 HA HIS A 104 0.618 -2.236 -10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.548 -0.089 -8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.707 0.281 -9.591 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.172 -2.184 -10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.703 1.449 -12.728 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.516 -0.951 -12.466 1.00 0.00 H new ATOM 1497 N PHE A 105 1.678 -1.602 -7.159 1.00 0.00 N ATOM 1498 CA PHE A 105 2.870 -1.550 -6.319 1.00 0.00 C ATOM 1499 C PHE A 105 3.712 -2.810 -6.491 1.00 0.00 C ATOM 1500 O PHE A 105 4.880 -2.743 -6.877 1.00 0.00 O ATOM 1501 CB PHE A 105 2.478 -1.381 -4.850 1.00 0.00 C ATOM 1502 CG PHE A 105 2.124 0.032 -4.483 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.865 0.540 -4.760 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.051 0.852 -3.860 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.537 1.839 -4.424 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.727 2.153 -3.520 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.469 2.647 -3.803 1.00 0.00 C ATOM 0 H PHE A 105 0.800 -1.486 -6.653 1.00 0.00 H new ATOM 0 HA PHE A 105 3.465 -0.691 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.628 -2.028 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.303 -1.715 -4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.131 -0.087 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.037 0.471 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.448 2.223 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.458 2.782 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.215 3.663 -3.539 1.00 0.00 H new ATOM 1517 N HIS A 106 3.111 -3.960 -6.200 1.00 0.00 N ATOM 1518 CA HIS A 106 3.805 -5.238 -6.322 1.00 0.00 C ATOM 1519 C HIS A 106 4.296 -5.455 -7.750 1.00 0.00 C ATOM 1520 O HIS A 106 5.484 -5.678 -7.981 1.00 0.00 O ATOM 1521 CB HIS A 106 2.883 -6.384 -5.905 1.00 0.00 C ATOM 1522 CG HIS A 106 3.579 -7.707 -5.809 1.00 0.00 C ATOM 1523 ND1 HIS A 106 3.053 -8.873 -6.325 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.766 -8.045 -5.255 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.886 -9.871 -6.089 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.935 -9.394 -5.442 1.00 0.00 N ATOM 0 H HIS A 106 2.146 -4.033 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 106 4.670 -5.220 -5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.436 -6.147 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.067 -6.463 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.453 -7.377 -4.758 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.735 -10.901 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.739 -9.940 -5.132 1.00 0.00 H new ATOM 1535 N SER A 107 3.371 -5.391 -8.704 1.00 0.00 N ATOM 1536 CA SER A 107 3.709 -5.587 -10.109 1.00 0.00 C ATOM 1537 C SER A 107 4.996 -4.850 -10.466 1.00 0.00 C ATOM 1538 O SER A 107 5.703 -5.229 -11.399 1.00 0.00 O ATOM 1539 CB SER A 107 2.565 -5.101 -11.002 1.00 0.00 C ATOM 1540 OG SER A 107 1.485 -6.018 -10.990 1.00 0.00 O ATOM 0 H SER A 107 2.383 -5.205 -8.529 1.00 0.00 H new ATOM 0 HA SER A 107 3.864 -6.653 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.221 -4.125 -10.659 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.926 -4.972 -12.023 1.00 0.00 H new ATOM 0 HG SER A 107 0.912 -5.838 -10.216 1.00 0.00 H new ATOM 1546 N ALA A 108 5.293 -3.794 -9.716 1.00 0.00 N ATOM 1547 CA ALA A 108 6.496 -3.005 -9.951 1.00 0.00 C ATOM 1548 C ALA A 108 7.606 -3.391 -8.979 1.00 0.00 C ATOM 1549 O ALA A 108 8.790 -3.244 -9.282 1.00 0.00 O ATOM 1550 CB ALA A 108 6.183 -1.520 -9.834 1.00 0.00 C ATOM 0 H ALA A 108 4.717 -3.465 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 108 6.846 -3.214 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.090 -0.942 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.429 -1.248 -10.572 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.806 -1.305 -8.834 1.00 0.00 H new ATOM 1556 N PHE A 109 7.215 -3.886 -7.809 1.00 0.00 N ATOM 1557 CA PHE A 109 8.178 -4.293 -6.791 1.00 0.00 C ATOM 1558 C PHE A 109 8.052 -5.783 -6.490 1.00 0.00 C ATOM 1559 O PHE A 109 8.110 -6.201 -5.332 1.00 0.00 O ATOM 1560 CB PHE A 109 7.970 -3.483 -5.510 1.00 0.00 C ATOM 1561 CG PHE A 109 8.414 -2.052 -5.626 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.746 -1.711 -5.449 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.502 -1.050 -5.914 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.157 -0.396 -5.555 1.00 0.00 C ATOM 1565 CE2 PHE A 109 7.908 0.267 -6.022 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.238 0.594 -5.843 1.00 0.00 C ATOM 0 H PHE A 109 6.239 -4.015 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 109 9.180 -4.101 -7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.914 -3.507 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.516 -3.960 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.470 -2.481 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.461 -1.301 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.197 -0.142 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.187 1.039 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.559 1.622 -5.928 1.00 0.00 H new ATOM 1576 N LYS A 110 7.880 -6.581 -7.538 1.00 0.00 N ATOM 1577 CA LYS A 110 7.748 -8.025 -7.388 1.00 0.00 C ATOM 1578 C LYS A 110 8.935 -8.748 -8.014 1.00 0.00 C ATOM 1579 O LYS A 110 9.713 -8.153 -8.759 1.00 0.00 O ATOM 1580 CB LYS A 110 6.446 -8.508 -8.031 1.00 0.00 C ATOM 1581 CG LYS A 110 6.479 -8.506 -9.549 1.00 0.00 C ATOM 1582 CD LYS A 110 5.547 -9.556 -10.130 1.00 0.00 C ATOM 1583 CE LYS A 110 5.375 -9.379 -11.631 1.00 0.00 C ATOM 1584 NZ LYS A 110 6.542 -9.905 -12.390 1.00 0.00 N ATOM 0 H LYS A 110 7.829 -6.251 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 110 7.727 -8.254 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.231 -9.518 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.627 -7.873 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.194 -7.521 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.497 -8.692 -9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.943 -10.550 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.575 -9.492 -9.641 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.470 -9.892 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.241 -8.322 -11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.385 -9.765 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.402 -9.398 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.655 -10.920 -12.193 1.00 0.00 H new