USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 812 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 43 SER OG : rot 180:sc= 0.356 USER MOD Set 1.2: A 45 SER OG : rot -7:sc= 0.381 USER MOD Set 1.3: A 46 ASN : amide:sc= -9.82! C(o=-9.1!,f=-16!) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.909 K(o=-0.97,f=-1.6) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.055 K(o=-0.97,f=-11!) USER MOD Set 2.3: A 110 CYS SG : rot 48:sc= -0.0102 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= -0.0154 (180deg=-0.0697) USER MOD Single : A 18 THR OG1 : rot -53:sc= 0.962 USER MOD Single : A 20 SER OG : rot 140:sc= -0.145 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0492 (180deg=-0.324) USER MOD Single : A 32 MET CE :methyl 174:sc= -0.0749 (180deg=-0.186) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -66:sc= 1.09 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -130:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.522 (180deg=0.056) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00166 USER MOD Single : A 59 THR OG1 : rot -34:sc= 1.05 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= 0.251 (180deg=-2.11!) USER MOD Single : A 66 HIS : no HE2:sc= -0.372 K(o=-0.37,f=-2.4) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 153:sc= -0.0746 USER MOD Single : A 74 ASN : amide:sc= -0.214 K(o=-0.21,f=-3.3!) USER MOD Single : A 77 TYR OH : rot 25:sc= 1.01 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 89 GLN : amide:sc= -3.07 K(o=-3.1,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.9) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 152:sc= 0 USER MOD Single : A 96 SER OG : rot 64:sc= 1.28 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -135:sc= -0.498 (180deg=-0.78) USER MOD Single : A 103 CYS SG : rot -53:sc= -1.62 USER MOD Single : A 104 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.26) USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.881) USER MOD Single : A 107 THR OG1 : rot -111:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -9.630 -1.489 -8.116 1.00 0.00 N ATOM 172 CA LYS A 13 -8.638 -2.394 -7.568 1.00 0.00 C ATOM 173 C LYS A 13 -7.242 -1.792 -7.721 1.00 0.00 C ATOM 174 O LYS A 13 -6.381 -2.108 -6.905 1.00 0.00 O ATOM 175 CB LYS A 13 -8.758 -3.778 -8.221 1.00 0.00 C ATOM 176 CG LYS A 13 -10.028 -4.510 -7.764 1.00 0.00 C ATOM 177 CD LYS A 13 -9.956 -4.974 -6.295 1.00 0.00 C ATOM 178 CE LYS A 13 -11.296 -4.788 -5.583 1.00 0.00 C ATOM 179 NZ LYS A 13 -11.686 -3.387 -5.475 1.00 0.00 N ATOM 0 HA LYS A 13 -8.817 -2.531 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.770 -3.669 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.882 -4.376 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.887 -3.851 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.194 -5.375 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.666 -6.024 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.183 -4.411 -5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.069 -5.335 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.236 -5.222 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.557 -3.312 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.926 -2.850 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.854 -2.999 -6.425 1.00 0.00 H new ATOM 193 N TRP A 14 -7.011 -0.922 -8.753 1.00 0.00 N ATOM 194 CA TRP A 14 -5.648 -0.363 -8.812 1.00 0.00 C ATOM 195 C TRP A 14 -5.425 0.573 -7.610 1.00 0.00 C ATOM 196 O TRP A 14 -4.338 0.672 -7.063 1.00 0.00 O ATOM 197 CB TRP A 14 -5.145 0.210 -10.166 1.00 0.00 C ATOM 198 CG TRP A 14 -5.362 1.681 -10.515 1.00 0.00 C ATOM 199 CD1 TRP A 14 -6.210 2.167 -11.513 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.637 2.841 -10.031 1.00 0.00 C ATOM 201 NE1 TRP A 14 -6.038 3.502 -11.665 1.00 0.00 N ATOM 202 CE2 TRP A 14 -5.081 3.963 -10.777 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.680 3.012 -9.067 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.546 5.208 -10.532 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.156 4.279 -8.822 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.592 5.373 -9.550 1.00 0.00 C ATOM 0 H TRP A 14 -7.672 -0.627 -9.471 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.988 -1.228 -8.739 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -4.072 0.023 -10.216 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.609 -0.380 -10.957 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.903 1.565 -12.082 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.540 4.083 -12.336 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.331 2.164 -8.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.875 6.058 -11.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.404 4.409 -8.058 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.186 6.353 -9.349 1.00 0.00 H new ATOM 217 N PHE A 15 -6.554 1.202 -7.216 1.00 0.00 N ATOM 218 CA PHE A 15 -6.582 2.145 -6.111 1.00 0.00 C ATOM 219 C PHE A 15 -7.369 1.545 -4.925 1.00 0.00 C ATOM 220 O PHE A 15 -8.503 1.109 -5.066 1.00 0.00 O ATOM 221 CB PHE A 15 -7.258 3.411 -6.665 1.00 0.00 C ATOM 222 CG PHE A 15 -6.781 4.678 -6.018 1.00 0.00 C ATOM 223 CD1 PHE A 15 -5.468 5.089 -6.217 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.636 5.475 -5.263 1.00 0.00 C ATOM 225 CE1 PHE A 15 -5.022 6.301 -5.712 1.00 0.00 C ATOM 226 CE2 PHE A 15 -7.189 6.683 -4.744 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.884 7.101 -4.973 1.00 0.00 C ATOM 0 H PHE A 15 -7.460 1.061 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.586 2.375 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.076 3.470 -7.738 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.336 3.327 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.788 4.458 -6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.651 5.153 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.007 6.622 -5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.857 7.299 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.541 8.046 -4.577 1.00 0.00 H new ATOM 237 N PHE A 16 -6.689 1.556 -3.758 1.00 0.00 N ATOM 238 CA PHE A 16 -7.230 1.067 -2.483 1.00 0.00 C ATOM 239 C PHE A 16 -6.699 2.005 -1.385 1.00 0.00 C ATOM 240 O PHE A 16 -5.787 2.793 -1.608 1.00 0.00 O ATOM 241 CB PHE A 16 -6.715 -0.360 -2.161 1.00 0.00 C ATOM 242 CG PHE A 16 -7.606 -1.551 -2.421 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.962 -1.451 -2.724 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.039 -2.821 -2.297 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.732 -2.595 -2.879 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.804 -3.965 -2.468 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.156 -3.851 -2.754 1.00 0.00 C ATOM 0 H PHE A 16 -5.736 1.911 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.318 1.044 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.796 -0.511 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.445 -0.379 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.416 -0.478 -2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.988 -2.914 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.786 -2.507 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.349 -4.940 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.759 -4.738 -2.879 1.00 0.00 H new ATOM 257 N ARG A 17 -7.312 1.851 -0.185 1.00 0.00 N ATOM 258 CA ARG A 17 -6.885 2.673 0.942 1.00 0.00 C ATOM 259 C ARG A 17 -5.494 2.295 1.456 1.00 0.00 C ATOM 260 O ARG A 17 -4.516 2.895 1.055 1.00 0.00 O ATOM 261 CB ARG A 17 -7.882 2.655 2.116 1.00 0.00 C ATOM 262 CG ARG A 17 -9.072 3.590 1.914 1.00 0.00 C ATOM 263 CD ARG A 17 -9.770 4.040 3.212 1.00 0.00 C ATOM 264 NE ARG A 17 -9.746 3.002 4.246 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.826 2.966 5.238 1.00 0.00 C ATOM 266 NH1 ARG A 17 -7.901 3.911 5.372 1.00 0.00 N ATOM 267 NH2 ARG A 17 -8.836 1.955 6.094 1.00 0.00 N ATOM 0 H ARG A 17 -8.067 1.194 0.010 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.847 3.686 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.248 1.638 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.360 2.935 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.733 4.475 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.804 3.091 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.283 4.938 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.804 4.307 2.992 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.457 2.271 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.871 4.692 4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.221 3.855 6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.532 1.215 6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.148 1.917 6.846 1.00 0.00 H new ATOM 281 N THR A 18 -5.465 1.294 2.358 1.00 0.00 N ATOM 282 CA THR A 18 -4.247 0.882 3.026 1.00 0.00 C ATOM 283 C THR A 18 -4.460 -0.518 3.605 1.00 0.00 C ATOM 284 O THR A 18 -4.496 -0.738 4.808 1.00 0.00 O ATOM 285 CB THR A 18 -3.783 1.852 4.173 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.932 1.273 5.216 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.946 2.742 4.709 1.00 0.00 C ATOM 0 H THR A 18 -6.289 0.760 2.633 1.00 0.00 H new ATOM 0 HA THR A 18 -3.455 0.898 2.277 1.00 0.00 H new ATOM 0 HB THR A 18 -3.083 2.524 3.677 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.365 0.475 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.572 3.393 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.343 3.350 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.737 2.106 5.107 1.00 0.00 H new ATOM 295 N ILE A 19 -4.628 -1.453 2.651 1.00 0.00 N ATOM 296 CA ILE A 19 -4.743 -2.866 3.003 1.00 0.00 C ATOM 297 C ILE A 19 -3.310 -3.243 3.411 1.00 0.00 C ATOM 298 O ILE A 19 -2.385 -2.510 3.074 1.00 0.00 O ATOM 299 CB ILE A 19 -5.167 -3.630 1.736 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.792 -4.988 1.992 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.058 -3.698 0.696 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.147 -5.675 0.659 1.00 0.00 C ATOM 0 H ILE A 19 -4.685 -1.254 1.652 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.466 -3.088 3.788 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.972 -3.027 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.101 -5.613 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.689 -4.874 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.411 -4.248 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.775 -2.688 0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.192 -4.207 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.595 -6.648 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.855 -5.056 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.242 -5.807 0.065 1.00 0.00 H new ATOM 314 N SER A 20 -3.126 -4.367 4.124 1.00 0.00 N ATOM 315 CA SER A 20 -1.720 -4.636 4.461 1.00 0.00 C ATOM 316 C SER A 20 -0.978 -5.059 3.182 1.00 0.00 C ATOM 317 O SER A 20 -1.565 -5.510 2.207 1.00 0.00 O ATOM 318 CB SER A 20 -1.505 -5.726 5.552 1.00 0.00 C ATOM 319 OG SER A 20 -0.127 -6.158 5.928 1.00 0.00 O ATOM 0 H SER A 20 -3.832 -5.029 4.445 1.00 0.00 H new ATOM 0 HA SER A 20 -1.328 -3.710 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.991 -5.372 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.045 -6.616 5.229 1.00 0.00 H new ATOM 0 HG SER A 20 -0.077 -6.284 6.899 1.00 0.00 H new ATOM 325 N ARG A 21 0.351 -4.889 3.262 1.00 0.00 N ATOM 326 CA ARG A 21 1.235 -5.214 2.153 1.00 0.00 C ATOM 327 C ARG A 21 1.021 -6.646 1.611 1.00 0.00 C ATOM 328 O ARG A 21 1.051 -6.835 0.403 1.00 0.00 O ATOM 329 CB ARG A 21 2.702 -4.971 2.552 1.00 0.00 C ATOM 330 CG ARG A 21 3.636 -4.834 1.339 1.00 0.00 C ATOM 331 CD ARG A 21 5.073 -4.453 1.731 1.00 0.00 C ATOM 332 NE ARG A 21 5.643 -5.391 2.697 1.00 0.00 N ATOM 333 CZ ARG A 21 6.010 -6.652 2.386 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.899 -7.123 1.152 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.488 -7.439 3.338 1.00 0.00 N ATOM 0 H ARG A 21 0.829 -4.528 4.088 1.00 0.00 H new ATOM 0 HA ARG A 21 0.981 -4.546 1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.764 -4.066 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.045 -5.796 3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.652 -5.776 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.237 -4.078 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.698 -4.427 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.079 -3.448 2.154 1.00 0.00 H new ATOM 0 HE ARG A 21 5.770 -5.075 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.529 -6.528 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.184 -8.080 0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.575 -7.090 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.769 -8.394 3.117 1.00 0.00 H new ATOM 349 N LYS A 22 0.775 -7.628 2.521 1.00 0.00 N ATOM 350 CA LYS A 22 0.593 -9.003 2.068 1.00 0.00 C ATOM 351 C LYS A 22 -0.757 -9.281 1.421 1.00 0.00 C ATOM 352 O LYS A 22 -0.913 -10.197 0.622 1.00 0.00 O ATOM 353 CB LYS A 22 0.839 -10.007 3.200 1.00 0.00 C ATOM 354 CG LYS A 22 -0.358 -10.409 4.068 1.00 0.00 C ATOM 355 CD LYS A 22 -1.022 -9.269 4.822 1.00 0.00 C ATOM 356 CE LYS A 22 -0.614 -9.184 6.299 1.00 0.00 C ATOM 357 NZ LYS A 22 -1.072 -10.345 7.060 1.00 0.00 N ATOM 0 H LYS A 22 0.703 -7.487 3.529 1.00 0.00 H new ATOM 0 HA LYS A 22 1.344 -9.134 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.254 -10.914 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.605 -9.592 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.104 -10.886 3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.029 -11.157 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.774 -8.328 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.104 -9.386 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.471 -9.107 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.028 -8.276 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.120 -10.101 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.016 -10.628 6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.407 -11.133 6.925 1.00 0.00 H new ATOM 371 N ASP A 23 -1.730 -8.454 1.836 1.00 0.00 N ATOM 372 CA ASP A 23 -3.069 -8.654 1.338 1.00 0.00 C ATOM 373 C ASP A 23 -3.161 -8.260 -0.131 1.00 0.00 C ATOM 374 O ASP A 23 -3.823 -8.872 -0.953 1.00 0.00 O ATOM 375 CB ASP A 23 -4.034 -7.772 2.143 1.00 0.00 C ATOM 376 CG ASP A 23 -4.307 -8.300 3.559 1.00 0.00 C ATOM 377 OD1 ASP A 23 -4.536 -9.499 3.711 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.299 -7.501 4.494 1.00 0.00 O ATOM 0 H ASP A 23 -1.609 -7.678 2.487 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.328 -9.708 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.622 -6.765 2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.978 -7.694 1.604 1.00 0.00 H new ATOM 383 N ALA A 24 -2.437 -7.184 -0.402 1.00 0.00 N ATOM 384 CA ALA A 24 -2.406 -6.676 -1.756 1.00 0.00 C ATOM 385 C ALA A 24 -1.685 -7.652 -2.710 1.00 0.00 C ATOM 386 O ALA A 24 -1.921 -7.675 -3.912 1.00 0.00 O ATOM 387 CB ALA A 24 -1.742 -5.325 -1.663 1.00 0.00 C ATOM 0 H ALA A 24 -1.881 -6.663 0.276 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.404 -6.577 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.684 -4.879 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.325 -4.677 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.737 -5.441 -1.258 1.00 0.00 H new ATOM 393 N GLU A 25 -0.818 -8.476 -2.094 1.00 0.00 N ATOM 394 CA GLU A 25 -0.094 -9.473 -2.859 1.00 0.00 C ATOM 395 C GLU A 25 -1.022 -10.659 -3.174 1.00 0.00 C ATOM 396 O GLU A 25 -0.944 -11.259 -4.238 1.00 0.00 O ATOM 397 CB GLU A 25 1.101 -10.000 -2.041 1.00 0.00 C ATOM 398 CG GLU A 25 2.191 -8.951 -1.773 1.00 0.00 C ATOM 399 CD GLU A 25 3.151 -9.383 -0.642 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.516 -10.557 -0.587 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.530 -8.540 0.169 1.00 0.00 O ATOM 0 H GLU A 25 -0.614 -8.464 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 25 0.259 -9.013 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.735 -10.379 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.546 -10.843 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.761 -8.781 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.723 -8.003 -1.508 1.00 0.00 H new ATOM 408 N ARG A 26 -1.934 -10.930 -2.206 1.00 0.00 N ATOM 409 CA ARG A 26 -2.845 -12.068 -2.318 1.00 0.00 C ATOM 410 C ARG A 26 -3.757 -11.921 -3.549 1.00 0.00 C ATOM 411 O ARG A 26 -4.138 -12.881 -4.206 1.00 0.00 O ATOM 412 CB ARG A 26 -3.666 -12.210 -0.999 1.00 0.00 C ATOM 413 CG ARG A 26 -5.027 -11.468 -0.896 1.00 0.00 C ATOM 414 CD ARG A 26 -5.425 -10.936 0.499 1.00 0.00 C ATOM 415 NE ARG A 26 -6.862 -11.085 0.715 1.00 0.00 N ATOM 416 CZ ARG A 26 -7.766 -10.241 0.176 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.369 -9.235 -0.593 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.059 -10.421 0.419 1.00 0.00 N ATOM 0 H ARG A 26 -2.048 -10.378 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.267 -12.981 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.853 -13.271 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.037 -11.867 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.009 -10.626 -1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.810 -12.145 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.878 -11.478 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.145 -9.886 0.587 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.194 -11.856 1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.376 -9.097 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.057 -8.600 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.364 -11.194 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.747 -9.786 0.014 1.00 0.00 H new ATOM 432 N GLN A 27 -4.039 -10.631 -3.801 1.00 0.00 N ATOM 433 CA GLN A 27 -4.900 -10.196 -4.886 1.00 0.00 C ATOM 434 C GLN A 27 -4.312 -10.451 -6.268 1.00 0.00 C ATOM 435 O GLN A 27 -4.925 -11.079 -7.122 1.00 0.00 O ATOM 436 CB GLN A 27 -5.121 -8.683 -4.735 1.00 0.00 C ATOM 437 CG GLN A 27 -5.946 -8.301 -3.501 1.00 0.00 C ATOM 438 CD GLN A 27 -7.464 -8.180 -3.744 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.188 -7.640 -2.916 1.00 0.00 O ATOM 440 NE2 GLN A 27 -7.916 -8.708 -4.895 1.00 0.00 N ATOM 0 H GLN A 27 -3.666 -9.862 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.825 -10.769 -4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.152 -8.187 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.622 -8.307 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.776 -9.046 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.578 -7.350 -3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.264 -9.145 -5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.911 -8.671 -5.117 1.00 0.00 H new ATOM 449 N LEU A 28 -3.092 -9.909 -6.431 1.00 0.00 N ATOM 450 CA LEU A 28 -2.435 -9.986 -7.721 1.00 0.00 C ATOM 451 C LEU A 28 -2.058 -11.410 -8.078 1.00 0.00 C ATOM 452 O LEU A 28 -2.285 -11.837 -9.202 1.00 0.00 O ATOM 453 CB LEU A 28 -1.261 -9.005 -7.721 1.00 0.00 C ATOM 454 CG LEU A 28 -1.754 -7.617 -7.344 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.598 -6.825 -6.769 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.325 -6.972 -8.604 1.00 0.00 C ATOM 0 H LEU A 28 -2.565 -9.429 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.119 -9.688 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.499 -9.335 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.795 -8.981 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.535 -7.653 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.941 -5.827 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.214 -7.332 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.194 -6.745 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.689 -5.972 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.546 -6.905 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.149 -7.578 -8.982 1.00 0.00 H new ATOM 468 N LEU A 29 -1.547 -12.131 -7.049 1.00 0.00 N ATOM 469 CA LEU A 29 -1.111 -13.507 -7.225 1.00 0.00 C ATOM 470 C LEU A 29 -2.260 -14.430 -7.681 1.00 0.00 C ATOM 471 O LEU A 29 -2.005 -15.536 -8.141 1.00 0.00 O ATOM 472 CB LEU A 29 -0.460 -13.982 -5.925 1.00 0.00 C ATOM 473 CG LEU A 29 0.871 -13.264 -5.629 1.00 0.00 C ATOM 474 CD1 LEU A 29 1.222 -13.446 -4.154 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.996 -13.816 -6.522 1.00 0.00 C ATOM 0 H LEU A 29 -1.434 -11.771 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.375 -13.552 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.149 -13.817 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.284 -15.056 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 29 0.762 -12.202 -5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.163 -12.940 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.431 -13.020 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.322 -14.508 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.927 -13.296 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.121 -14.882 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.738 -13.662 -7.570 1.00 0.00 H new ATOM 487 N ALA A 30 -3.523 -13.940 -7.553 1.00 0.00 N ATOM 488 CA ALA A 30 -4.661 -14.731 -8.024 1.00 0.00 C ATOM 489 C ALA A 30 -4.465 -15.095 -9.522 1.00 0.00 C ATOM 490 O ALA A 30 -3.922 -14.314 -10.298 1.00 0.00 O ATOM 491 CB ALA A 30 -5.950 -13.908 -7.892 1.00 0.00 C ATOM 0 H ALA A 30 -3.760 -13.037 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.730 -15.639 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.796 -14.498 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.104 -13.638 -6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.866 -13.002 -8.492 1.00 0.00 H new ATOM 497 N PRO A 31 -4.945 -16.315 -9.903 1.00 0.00 N ATOM 498 CA PRO A 31 -4.839 -16.811 -11.279 1.00 0.00 C ATOM 499 C PRO A 31 -5.723 -16.054 -12.292 1.00 0.00 C ATOM 500 O PRO A 31 -5.685 -16.294 -13.492 1.00 0.00 O ATOM 501 CB PRO A 31 -5.300 -18.272 -11.176 1.00 0.00 C ATOM 502 CG PRO A 31 -6.201 -18.294 -9.943 1.00 0.00 C ATOM 503 CD PRO A 31 -5.599 -17.262 -9.007 1.00 0.00 C ATOM 0 HA PRO A 31 -3.824 -16.679 -11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.841 -18.583 -12.070 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.454 -18.950 -11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.230 -18.043 -10.200 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.219 -19.282 -9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.365 -16.776 -8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.888 -17.715 -8.317 1.00 0.00 H new ATOM 511 N MET A 32 -6.508 -15.128 -11.713 1.00 0.00 N ATOM 512 CA MET A 32 -7.431 -14.276 -12.413 1.00 0.00 C ATOM 513 C MET A 32 -6.740 -13.077 -13.086 1.00 0.00 C ATOM 514 O MET A 32 -7.189 -12.572 -14.108 1.00 0.00 O ATOM 515 CB MET A 32 -8.357 -13.748 -11.321 1.00 0.00 C ATOM 516 CG MET A 32 -9.114 -14.834 -10.546 1.00 0.00 C ATOM 517 SD MET A 32 -10.423 -14.107 -9.545 1.00 0.00 S ATOM 518 CE MET A 32 -9.446 -13.466 -8.174 1.00 0.00 C ATOM 0 H MET A 32 -6.502 -14.962 -10.707 1.00 0.00 H new ATOM 0 HA MET A 32 -7.933 -14.829 -13.207 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.768 -13.161 -10.616 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.082 -13.071 -11.773 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.541 -15.555 -11.243 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.421 -15.381 -9.906 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.088 -12.888 -7.509 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.005 -14.296 -7.622 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.653 -12.825 -8.560 1.00 0.00 H new ATOM 528 N ASN A 33 -5.630 -12.656 -12.430 1.00 0.00 N ATOM 529 CA ASN A 33 -4.854 -11.497 -12.876 1.00 0.00 C ATOM 530 C ASN A 33 -3.415 -11.881 -13.254 1.00 0.00 C ATOM 531 O ASN A 33 -2.972 -13.012 -13.089 1.00 0.00 O ATOM 532 CB ASN A 33 -4.917 -10.402 -11.796 1.00 0.00 C ATOM 533 CG ASN A 33 -6.373 -10.177 -11.367 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.792 -10.514 -10.268 1.00 0.00 O ATOM 535 ND2 ASN A 33 -7.114 -9.597 -12.321 1.00 0.00 N ATOM 0 H ASN A 33 -5.262 -13.108 -11.593 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.294 -11.100 -13.791 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.316 -10.693 -10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.494 -9.474 -12.181 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.102 -9.407 -12.154 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.690 -9.345 -13.214 1.00 0.00 H new ATOM 542 N LYS A 34 -2.727 -10.848 -13.784 1.00 0.00 N ATOM 543 CA LYS A 34 -1.361 -11.014 -14.259 1.00 0.00 C ATOM 544 C LYS A 34 -0.579 -9.702 -14.194 1.00 0.00 C ATOM 545 O LYS A 34 -1.130 -8.622 -14.050 1.00 0.00 O ATOM 546 CB LYS A 34 -1.384 -11.528 -15.708 1.00 0.00 C ATOM 547 CG LYS A 34 -2.478 -10.914 -16.600 1.00 0.00 C ATOM 548 CD LYS A 34 -2.517 -9.376 -16.668 1.00 0.00 C ATOM 549 CE LYS A 34 -3.525 -8.869 -17.706 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.050 -9.014 -19.079 1.00 0.00 N ATOM 0 H LYS A 34 -3.101 -9.905 -13.888 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.862 -11.735 -13.611 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.413 -11.331 -16.163 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.515 -12.610 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.350 -11.298 -17.612 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.447 -11.266 -16.245 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.776 -8.977 -15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.524 -8.999 -16.914 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.462 -9.415 -17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.742 -7.819 -17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.772 -8.655 -19.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.171 -8.472 -19.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.868 -10.018 -19.279 1.00 0.00 H new ATOM 564 N ALA A 35 0.747 -9.895 -14.338 1.00 0.00 N ATOM 565 CA ALA A 35 1.771 -8.861 -14.340 1.00 0.00 C ATOM 566 C ALA A 35 1.279 -7.530 -14.918 1.00 0.00 C ATOM 567 O ALA A 35 0.677 -7.436 -15.980 1.00 0.00 O ATOM 568 CB ALA A 35 3.004 -9.352 -15.109 1.00 0.00 C ATOM 0 H ALA A 35 1.141 -10.828 -14.462 1.00 0.00 H new ATOM 0 HA ALA A 35 2.033 -8.669 -13.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.767 -8.574 -15.107 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.398 -10.248 -14.630 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.724 -9.583 -16.137 1.00 0.00 H new ATOM 574 N GLY A 36 1.590 -6.522 -14.090 1.00 0.00 N ATOM 575 CA GLY A 36 1.237 -5.145 -14.351 1.00 0.00 C ATOM 576 C GLY A 36 -0.053 -4.756 -13.637 1.00 0.00 C ATOM 577 O GLY A 36 -0.224 -3.603 -13.266 1.00 0.00 O ATOM 0 H GLY A 36 2.098 -6.655 -13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.046 -4.492 -14.024 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.120 -4.995 -15.424 1.00 0.00 H new ATOM 581 N SER A 37 -0.938 -5.775 -13.430 1.00 0.00 N ATOM 582 CA SER A 37 -2.156 -5.574 -12.649 1.00 0.00 C ATOM 583 C SER A 37 -1.662 -5.069 -11.291 1.00 0.00 C ATOM 584 O SER A 37 -0.523 -5.350 -10.906 1.00 0.00 O ATOM 585 CB SER A 37 -3.029 -6.859 -12.553 1.00 0.00 C ATOM 586 OG SER A 37 -2.431 -8.077 -11.955 1.00 0.00 O ATOM 0 H SER A 37 -0.818 -6.720 -13.793 1.00 0.00 H new ATOM 0 HA SER A 37 -2.830 -4.857 -13.118 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.921 -6.611 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.359 -7.112 -13.561 1.00 0.00 H new ATOM 0 HG SER A 37 -1.704 -8.400 -12.528 1.00 0.00 H new ATOM 592 N PHE A 38 -2.576 -4.343 -10.597 1.00 0.00 N ATOM 593 CA PHE A 38 -2.060 -3.674 -9.420 1.00 0.00 C ATOM 594 C PHE A 38 -3.091 -3.642 -8.270 1.00 0.00 C ATOM 595 O PHE A 38 -4.236 -4.076 -8.328 1.00 0.00 O ATOM 596 CB PHE A 38 -2.006 -2.127 -9.710 1.00 0.00 C ATOM 597 CG PHE A 38 -1.823 -1.591 -11.100 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.668 -1.953 -12.154 1.00 0.00 C ATOM 599 CD2 PHE A 38 -0.885 -0.600 -11.316 1.00 0.00 C ATOM 600 CE1 PHE A 38 -2.573 -1.354 -13.394 1.00 0.00 C ATOM 601 CE2 PHE A 38 -0.800 0.009 -12.546 1.00 0.00 C ATOM 602 CZ PHE A 38 -1.633 -0.368 -13.576 1.00 0.00 C ATOM 0 H PHE A 38 -3.565 -4.223 -10.813 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.127 -4.185 -9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.933 -1.701 -9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.195 -1.720 -9.105 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.412 -2.719 -11.994 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.219 -0.304 -10.519 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.223 -1.653 -14.203 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.073 0.791 -12.706 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.547 0.117 -14.537 1.00 0.00 H new ATOM 612 N LEU A 39 -2.491 -2.955 -7.273 1.00 0.00 N ATOM 613 CA LEU A 39 -2.861 -2.524 -5.939 1.00 0.00 C ATOM 614 C LEU A 39 -2.016 -1.284 -5.603 1.00 0.00 C ATOM 615 O LEU A 39 -0.815 -1.350 -5.825 1.00 0.00 O ATOM 616 CB LEU A 39 -2.351 -3.601 -4.958 1.00 0.00 C ATOM 617 CG LEU A 39 -3.286 -4.748 -4.591 1.00 0.00 C ATOM 618 CD1 LEU A 39 -4.148 -4.285 -3.444 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.203 -5.294 -5.648 1.00 0.00 C ATOM 0 H LEU A 39 -1.538 -2.635 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.934 -2.346 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.445 -4.034 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.063 -3.099 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.610 -5.575 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.831 -5.085 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.515 -4.025 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.722 -3.411 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.801 -6.103 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.862 -4.502 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.612 -5.674 -6.481 1.00 0.00 H new ATOM 631 N ILE A 40 -2.618 -0.185 -5.050 1.00 0.00 N ATOM 632 CA ILE A 40 -1.660 0.858 -4.677 1.00 0.00 C ATOM 633 C ILE A 40 -2.225 1.340 -3.282 1.00 0.00 C ATOM 634 O ILE A 40 -3.284 1.952 -3.210 1.00 0.00 O ATOM 635 CB ILE A 40 -1.614 1.929 -5.811 1.00 0.00 C ATOM 636 CG1 ILE A 40 -0.227 2.533 -5.964 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.398 3.210 -5.444 1.00 0.00 C ATOM 638 CD1 ILE A 40 -0.040 3.000 -7.418 1.00 0.00 C ATOM 0 H ILE A 40 -3.610 -0.022 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.616 0.561 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.991 1.387 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.105 3.373 -5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.534 1.798 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.335 3.923 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.443 2.958 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.970 3.654 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.953 3.435 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.145 2.148 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.795 3.748 -7.660 1.00 0.00 H new ATOM 650 N ARG A 41 -1.532 0.959 -2.177 1.00 0.00 N ATOM 651 CA ARG A 41 -1.911 1.341 -0.806 1.00 0.00 C ATOM 652 C ARG A 41 -1.323 2.676 -0.413 1.00 0.00 C ATOM 653 O ARG A 41 -0.459 3.223 -1.075 1.00 0.00 O ATOM 654 CB ARG A 41 -1.611 0.276 0.277 1.00 0.00 C ATOM 655 CG ARG A 41 -0.451 -0.679 0.049 1.00 0.00 C ATOM 656 CD ARG A 41 -1.115 -2.039 -0.126 1.00 0.00 C ATOM 657 NE ARG A 41 -1.860 -2.085 -1.393 1.00 0.00 N ATOM 658 CZ ARG A 41 -3.091 -1.566 -1.684 1.00 0.00 C ATOM 659 NH1 ARG A 41 -3.953 -1.062 -0.826 1.00 0.00 N ATOM 660 NH2 ARG A 41 -3.491 -1.548 -2.925 1.00 0.00 N ATOM 0 H ARG A 41 -0.695 0.378 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.997 1.423 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.431 0.799 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.512 -0.322 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.126 -0.401 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.238 -0.678 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.359 -2.824 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.790 -2.231 0.708 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.395 -2.571 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.726 -1.033 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.848 -0.700 -1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.888 -1.917 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.406 -1.165 -3.160 1.00 0.00 H new ATOM 674 N GLU A 42 -1.884 3.142 0.713 1.00 0.00 N ATOM 675 CA GLU A 42 -1.436 4.346 1.372 1.00 0.00 C ATOM 676 C GLU A 42 -0.661 3.866 2.594 1.00 0.00 C ATOM 677 O GLU A 42 -0.951 2.814 3.150 1.00 0.00 O ATOM 678 CB GLU A 42 -2.581 5.322 1.744 1.00 0.00 C ATOM 679 CG GLU A 42 -3.328 5.061 3.059 1.00 0.00 C ATOM 680 CD GLU A 42 -4.232 6.225 3.484 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.711 7.193 4.037 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.444 6.144 3.274 1.00 0.00 O ATOM 0 H GLU A 42 -2.664 2.681 1.182 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.816 4.941 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.166 6.329 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.310 5.311 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.933 4.160 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.602 4.866 3.849 1.00 0.00 H new ATOM 689 N SER A 43 0.372 4.632 2.941 1.00 0.00 N ATOM 690 CA SER A 43 1.093 4.287 4.150 1.00 0.00 C ATOM 691 C SER A 43 0.241 4.957 5.233 1.00 0.00 C ATOM 692 O SER A 43 0.266 6.172 5.374 1.00 0.00 O ATOM 693 CB SER A 43 2.512 4.929 4.187 1.00 0.00 C ATOM 694 OG SER A 43 3.107 5.273 5.503 1.00 0.00 O ATOM 0 H SER A 43 0.710 5.449 2.432 1.00 0.00 H new ATOM 0 HA SER A 43 1.234 3.211 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.196 4.246 3.684 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.477 5.842 3.592 1.00 0.00 H new ATOM 0 HG SER A 43 3.995 5.664 5.368 1.00 0.00 H new ATOM 700 N GLU A 44 -0.529 4.138 5.971 1.00 0.00 N ATOM 701 CA GLU A 44 -1.416 4.748 6.955 1.00 0.00 C ATOM 702 C GLU A 44 -0.685 5.593 8.031 1.00 0.00 C ATOM 703 O GLU A 44 -1.300 6.398 8.718 1.00 0.00 O ATOM 704 CB GLU A 44 -2.326 3.698 7.610 1.00 0.00 C ATOM 705 CG GLU A 44 -1.586 2.479 8.191 1.00 0.00 C ATOM 706 CD GLU A 44 -2.579 1.413 8.703 1.00 0.00 C ATOM 707 OE1 GLU A 44 -3.311 0.840 7.894 1.00 0.00 O ATOM 708 OE2 GLU A 44 -2.612 1.164 9.907 1.00 0.00 O ATOM 0 H GLU A 44 -0.554 3.120 5.909 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.031 5.451 6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.894 4.176 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.047 3.350 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.943 2.043 7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.939 2.799 9.008 1.00 0.00 H new ATOM 715 N SER A 45 0.644 5.381 8.123 1.00 0.00 N ATOM 716 CA SER A 45 1.472 6.067 9.101 1.00 0.00 C ATOM 717 C SER A 45 2.079 7.406 8.620 1.00 0.00 C ATOM 718 O SER A 45 2.682 8.080 9.445 1.00 0.00 O ATOM 719 CB SER A 45 2.626 5.098 9.471 1.00 0.00 C ATOM 720 OG SER A 45 3.558 4.645 8.406 1.00 0.00 O ATOM 0 H SER A 45 1.156 4.735 7.523 1.00 0.00 H new ATOM 0 HA SER A 45 0.832 6.328 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.222 5.578 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.179 4.209 9.916 1.00 0.00 H new ATOM 0 HG SER A 45 3.232 4.951 7.534 1.00 0.00 H new ATOM 726 N ASN A 46 1.936 7.798 7.321 1.00 0.00 N ATOM 727 CA ASN A 46 2.551 9.068 6.905 1.00 0.00 C ATOM 728 C ASN A 46 1.464 10.072 6.380 1.00 0.00 C ATOM 729 O ASN A 46 0.267 9.876 6.549 1.00 0.00 O ATOM 730 CB ASN A 46 3.575 8.779 5.774 1.00 0.00 C ATOM 731 CG ASN A 46 2.976 8.864 4.408 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.334 9.781 3.685 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.993 7.997 4.159 1.00 0.00 N ATOM 0 H ASN A 46 1.434 7.285 6.596 1.00 0.00 H new ATOM 0 HA ASN A 46 3.048 9.519 7.764 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.399 9.488 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.996 7.784 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.459 8.066 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.775 7.265 4.835 1.00 0.00 H new ATOM 740 N LYS A 47 2.001 11.127 5.699 1.00 0.00 N ATOM 741 CA LYS A 47 1.244 12.181 5.031 1.00 0.00 C ATOM 742 C LYS A 47 1.106 12.026 3.484 1.00 0.00 C ATOM 743 O LYS A 47 1.649 12.826 2.731 1.00 0.00 O ATOM 744 CB LYS A 47 1.741 13.571 5.439 1.00 0.00 C ATOM 745 CG LYS A 47 3.203 13.760 5.082 1.00 0.00 C ATOM 746 CD LYS A 47 4.099 13.431 6.271 1.00 0.00 C ATOM 747 CE LYS A 47 5.372 12.721 5.834 1.00 0.00 C ATOM 748 NZ LYS A 47 6.240 13.538 4.989 1.00 0.00 N ATOM 0 H LYS A 47 3.009 11.253 5.609 1.00 0.00 H new ATOM 0 HA LYS A 47 0.222 12.064 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.142 14.334 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.606 13.708 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.461 13.120 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.374 14.789 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.357 14.350 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.554 12.802 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.928 12.413 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.104 11.813 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.086 12.992 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.727 13.812 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.525 14.393 5.508 1.00 0.00 H new ATOM 762 N GLY A 48 0.349 10.994 3.043 1.00 0.00 N ATOM 763 CA GLY A 48 0.125 10.835 1.596 1.00 0.00 C ATOM 764 C GLY A 48 1.102 9.949 0.802 1.00 0.00 C ATOM 765 O GLY A 48 0.992 9.864 -0.412 1.00 0.00 O ATOM 0 H GLY A 48 -0.095 10.294 3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.878 10.432 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.135 11.828 1.146 1.00 0.00 H new ATOM 769 N ALA A 49 2.007 9.268 1.527 1.00 0.00 N ATOM 770 CA ALA A 49 3.010 8.367 0.899 1.00 0.00 C ATOM 771 C ALA A 49 2.297 7.060 0.582 1.00 0.00 C ATOM 772 O ALA A 49 1.719 6.470 1.476 1.00 0.00 O ATOM 773 CB ALA A 49 4.203 7.951 1.824 1.00 0.00 C ATOM 0 H ALA A 49 2.071 9.319 2.544 1.00 0.00 H new ATOM 0 HA ALA A 49 3.413 8.916 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.878 7.295 1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.743 8.842 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.819 7.426 2.699 1.00 0.00 H new ATOM 779 N PHE A 50 2.315 6.650 -0.703 1.00 0.00 N ATOM 780 CA PHE A 50 1.612 5.421 -1.089 1.00 0.00 C ATOM 781 C PHE A 50 2.617 4.233 -1.167 1.00 0.00 C ATOM 782 O PHE A 50 3.755 4.335 -0.728 1.00 0.00 O ATOM 783 CB PHE A 50 0.720 5.688 -2.338 1.00 0.00 C ATOM 784 CG PHE A 50 -0.580 6.424 -2.066 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.835 7.151 -0.900 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.577 6.390 -3.035 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.033 7.826 -0.716 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.773 7.067 -2.857 1.00 0.00 C ATOM 789 CZ PHE A 50 -3.008 7.787 -1.697 1.00 0.00 C ATOM 0 H PHE A 50 2.792 7.135 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 50 0.899 5.103 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.299 6.263 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.485 4.732 -2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.083 7.188 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.416 5.826 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.205 8.382 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.528 7.033 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.942 8.312 -1.560 1.00 0.00 H new ATOM 799 N SER A 51 2.125 3.103 -1.730 1.00 0.00 N ATOM 800 CA SER A 51 2.876 1.853 -1.925 1.00 0.00 C ATOM 801 C SER A 51 2.242 1.152 -3.151 1.00 0.00 C ATOM 802 O SER A 51 1.153 1.544 -3.545 1.00 0.00 O ATOM 803 CB SER A 51 2.750 0.937 -0.678 1.00 0.00 C ATOM 804 OG SER A 51 2.560 1.592 0.639 1.00 0.00 O ATOM 0 H SER A 51 1.165 3.041 -2.069 1.00 0.00 H new ATOM 0 HA SER A 51 3.936 2.058 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.911 0.261 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.648 0.322 -0.621 1.00 0.00 H new ATOM 0 HG SER A 51 2.494 0.908 1.338 1.00 0.00 H new ATOM 810 N LEU A 52 2.907 0.121 -3.723 1.00 0.00 N ATOM 811 CA LEU A 52 2.338 -0.539 -4.915 1.00 0.00 C ATOM 812 C LEU A 52 2.829 -1.987 -4.998 1.00 0.00 C ATOM 813 O LEU A 52 3.999 -2.290 -4.824 1.00 0.00 O ATOM 814 CB LEU A 52 2.884 0.303 -6.116 1.00 0.00 C ATOM 815 CG LEU A 52 2.763 -0.164 -7.592 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.324 -0.228 -8.093 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.558 0.785 -8.530 1.00 0.00 C ATOM 0 H LEU A 52 3.796 -0.256 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 52 1.249 -0.580 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.400 1.278 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.945 0.463 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 52 3.174 -1.173 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.315 -0.561 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.757 -0.929 -7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.871 0.761 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.462 0.443 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.161 1.797 -8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.610 0.783 -8.243 1.00 0.00 H new ATOM 829 N SER A 53 1.825 -2.839 -5.267 1.00 0.00 N ATOM 830 CA SER A 53 1.972 -4.277 -5.427 1.00 0.00 C ATOM 831 C SER A 53 1.552 -4.560 -6.877 1.00 0.00 C ATOM 832 O SER A 53 0.506 -4.110 -7.324 1.00 0.00 O ATOM 833 CB SER A 53 1.108 -4.968 -4.321 1.00 0.00 C ATOM 834 OG SER A 53 0.917 -4.268 -3.022 1.00 0.00 O ATOM 0 H SER A 53 0.861 -2.525 -5.381 1.00 0.00 H new ATOM 0 HA SER A 53 2.979 -4.671 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.121 -5.157 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.556 -5.939 -4.110 1.00 0.00 H new ATOM 0 HG SER A 53 1.121 -4.882 -2.286 1.00 0.00 H new ATOM 840 N VAL A 54 2.446 -5.275 -7.588 1.00 0.00 N ATOM 841 CA VAL A 54 2.241 -5.644 -8.994 1.00 0.00 C ATOM 842 C VAL A 54 2.764 -7.072 -9.122 1.00 0.00 C ATOM 843 O VAL A 54 3.765 -7.386 -8.498 1.00 0.00 O ATOM 844 CB VAL A 54 3.064 -4.711 -9.890 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.059 -5.152 -11.358 1.00 0.00 C ATOM 846 CG2 VAL A 54 2.598 -3.256 -9.787 1.00 0.00 C ATOM 0 H VAL A 54 3.328 -5.610 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 54 1.195 -5.566 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 54 4.087 -4.776 -9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.656 -4.457 -11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.482 -6.153 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.035 -5.159 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.209 -2.631 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.554 -3.186 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.699 -2.914 -8.757 1.00 0.00 H new ATOM 856 N LYS A 55 2.105 -7.906 -9.957 1.00 0.00 N ATOM 857 CA LYS A 55 2.562 -9.304 -10.008 1.00 0.00 C ATOM 858 C LYS A 55 3.815 -9.554 -10.876 1.00 0.00 C ATOM 859 O LYS A 55 3.701 -9.601 -12.094 1.00 0.00 O ATOM 860 CB LYS A 55 1.418 -10.140 -10.571 1.00 0.00 C ATOM 861 CG LYS A 55 1.642 -11.651 -10.547 1.00 0.00 C ATOM 862 CD LYS A 55 0.325 -12.349 -10.861 1.00 0.00 C ATOM 863 CE LYS A 55 0.420 -13.853 -11.067 1.00 0.00 C ATOM 864 NZ LYS A 55 -0.664 -14.397 -11.882 1.00 0.00 N ATOM 0 H LYS A 55 1.318 -7.661 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 55 2.845 -9.576 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.513 -9.914 -10.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.237 -9.832 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.401 -11.931 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.010 -11.962 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.374 -12.154 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.099 -11.902 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.373 -14.088 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.417 -14.346 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.184 -15.113 -11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.312 -13.631 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.268 -14.835 -12.738 1.00 0.00 H new ATOM 878 N ASP A 56 5.002 -9.766 -10.242 1.00 0.00 N ATOM 879 CA ASP A 56 6.153 -10.050 -11.111 1.00 0.00 C ATOM 880 C ASP A 56 6.236 -11.559 -11.396 1.00 0.00 C ATOM 881 O ASP A 56 6.493 -12.378 -10.527 1.00 0.00 O ATOM 882 CB ASP A 56 7.453 -9.446 -10.572 1.00 0.00 C ATOM 883 CG ASP A 56 7.590 -7.985 -11.022 1.00 0.00 C ATOM 884 OD1 ASP A 56 6.592 -7.262 -11.025 1.00 0.00 O ATOM 885 OD2 ASP A 56 8.706 -7.588 -11.347 1.00 0.00 O ATOM 0 H ASP A 56 5.171 -9.748 -9.236 1.00 0.00 H new ATOM 0 HA ASP A 56 6.002 -9.552 -12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.463 -9.501 -9.483 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.305 -10.024 -10.928 1.00 0.00 H new ATOM 890 N ILE A 57 5.979 -11.858 -12.689 1.00 0.00 N ATOM 891 CA ILE A 57 5.998 -13.232 -13.186 1.00 0.00 C ATOM 892 C ILE A 57 7.338 -13.503 -13.889 1.00 0.00 C ATOM 893 O ILE A 57 7.848 -12.690 -14.651 1.00 0.00 O ATOM 894 CB ILE A 57 4.776 -13.481 -14.083 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.502 -13.035 -13.340 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.694 -14.962 -14.497 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.196 -13.446 -14.002 1.00 0.00 C ATOM 0 H ILE A 57 5.757 -11.160 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 57 5.924 -13.940 -12.361 1.00 0.00 H new ATOM 0 HB ILE A 57 4.873 -12.896 -14.997 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.525 -13.446 -12.331 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.517 -11.949 -13.243 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.821 -15.115 -15.132 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.594 -15.237 -15.046 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.608 -15.585 -13.606 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.357 -13.087 -13.406 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.143 -13.013 -15.001 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.151 -14.533 -14.074 1.00 0.00 H new ATOM 909 N THR A 58 7.863 -14.700 -13.560 1.00 0.00 N ATOM 910 CA THR A 58 9.149 -15.150 -14.085 1.00 0.00 C ATOM 911 C THR A 58 9.208 -16.682 -14.070 1.00 0.00 C ATOM 912 O THR A 58 8.365 -17.341 -13.472 1.00 0.00 O ATOM 913 CB THR A 58 10.294 -14.588 -13.183 1.00 0.00 C ATOM 914 OG1 THR A 58 11.665 -14.915 -13.565 1.00 0.00 O ATOM 915 CG2 THR A 58 9.990 -14.802 -11.666 1.00 0.00 C ATOM 0 H THR A 58 7.410 -15.365 -12.933 1.00 0.00 H new ATOM 0 HA THR A 58 9.267 -14.792 -15.108 1.00 0.00 H new ATOM 0 HB THR A 58 10.277 -13.516 -13.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.288 -14.507 -12.928 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.809 -14.398 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.064 -14.290 -11.405 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.885 -15.868 -11.463 1.00 0.00 H new ATOM 923 N THR A 59 10.265 -17.209 -14.737 1.00 0.00 N ATOM 924 CA THR A 59 10.448 -18.661 -14.789 1.00 0.00 C ATOM 925 C THR A 59 11.088 -19.219 -13.505 1.00 0.00 C ATOM 926 O THR A 59 11.480 -20.379 -13.461 1.00 0.00 O ATOM 927 CB THR A 59 11.268 -19.144 -16.028 1.00 0.00 C ATOM 928 OG1 THR A 59 11.590 -20.575 -16.091 1.00 0.00 O ATOM 929 CG2 THR A 59 12.490 -18.230 -16.344 1.00 0.00 C ATOM 0 H THR A 59 10.975 -16.664 -15.227 1.00 0.00 H new ATOM 0 HA THR A 59 9.437 -19.057 -14.884 1.00 0.00 H new ATOM 0 HB THR A 59 10.555 -19.026 -16.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.744 -20.916 -15.185 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.019 -18.618 -17.215 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.143 -17.218 -16.551 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.164 -18.214 -15.487 1.00 0.00 H new ATOM 937 N GLN A 60 11.176 -18.355 -12.468 1.00 0.00 N ATOM 938 CA GLN A 60 11.760 -18.801 -11.203 1.00 0.00 C ATOM 939 C GLN A 60 10.797 -18.602 -10.006 1.00 0.00 C ATOM 940 O GLN A 60 11.228 -18.649 -8.861 1.00 0.00 O ATOM 941 CB GLN A 60 13.136 -18.159 -10.993 1.00 0.00 C ATOM 942 CG GLN A 60 14.151 -18.588 -12.074 1.00 0.00 C ATOM 943 CD GLN A 60 15.448 -17.776 -11.961 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.571 -16.682 -12.494 1.00 0.00 O ATOM 945 NE2 GLN A 60 16.404 -18.382 -11.242 1.00 0.00 N ATOM 0 H GLN A 60 10.861 -17.385 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 60 11.916 -19.878 -11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.034 -17.074 -11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.517 -18.434 -10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.372 -19.650 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.715 -18.449 -13.063 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.227 -19.297 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.308 -17.928 -11.110 1.00 0.00 H new ATOM 954 N GLY A 61 9.493 -18.390 -10.323 1.00 0.00 N ATOM 955 CA GLY A 61 8.477 -18.230 -9.277 1.00 0.00 C ATOM 956 C GLY A 61 7.632 -16.948 -9.386 1.00 0.00 C ATOM 957 O GLY A 61 8.135 -15.849 -9.580 1.00 0.00 O ATOM 0 H GLY A 61 9.136 -18.329 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.809 -19.091 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.971 -18.241 -8.306 1.00 0.00 H new ATOM 961 N GLU A 62 6.310 -17.176 -9.225 1.00 0.00 N ATOM 962 CA GLU A 62 5.310 -16.127 -9.257 1.00 0.00 C ATOM 963 C GLU A 62 5.394 -15.302 -7.955 1.00 0.00 C ATOM 964 O GLU A 62 5.340 -15.848 -6.858 1.00 0.00 O ATOM 965 CB GLU A 62 3.956 -16.843 -9.340 1.00 0.00 C ATOM 966 CG GLU A 62 2.839 -15.915 -9.801 1.00 0.00 C ATOM 967 CD GLU A 62 1.479 -16.634 -9.776 1.00 0.00 C ATOM 968 OE1 GLU A 62 1.038 -17.021 -8.695 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.867 -16.783 -10.835 1.00 0.00 O ATOM 0 H GLU A 62 5.921 -18.106 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 62 5.453 -15.448 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.034 -17.684 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.704 -17.254 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.802 -15.037 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.049 -15.561 -10.810 1.00 0.00 H new ATOM 976 N VAL A 63 5.535 -13.971 -8.143 1.00 0.00 N ATOM 977 CA VAL A 63 5.638 -13.059 -7.011 1.00 0.00 C ATOM 978 C VAL A 63 4.800 -11.815 -7.339 1.00 0.00 C ATOM 979 O VAL A 63 3.963 -11.803 -8.234 1.00 0.00 O ATOM 980 CB VAL A 63 7.130 -12.676 -6.790 1.00 0.00 C ATOM 981 CG1 VAL A 63 8.012 -13.896 -6.498 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.721 -11.844 -7.950 1.00 0.00 C ATOM 0 H VAL A 63 5.578 -13.522 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 63 5.269 -13.523 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 63 7.131 -12.041 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.043 -13.573 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.657 -14.394 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.964 -14.589 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.764 -11.609 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.661 -12.416 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.156 -10.918 -8.059 1.00 0.00 H new ATOM 992 N VAL A 64 5.118 -10.781 -6.538 1.00 0.00 N ATOM 993 CA VAL A 64 4.578 -9.439 -6.638 1.00 0.00 C ATOM 994 C VAL A 64 5.846 -8.564 -6.691 1.00 0.00 C ATOM 995 O VAL A 64 6.915 -9.044 -7.035 1.00 0.00 O ATOM 996 CB VAL A 64 3.559 -9.169 -5.491 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.740 -7.867 -5.565 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.477 -10.228 -5.511 1.00 0.00 C ATOM 0 H VAL A 64 5.788 -10.877 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 64 3.964 -9.229 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 64 4.209 -9.139 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.072 -7.808 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.415 -7.011 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.152 -7.859 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.766 -10.037 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.958 -10.200 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.927 -11.211 -5.371 1.00 0.00 H new ATOM 1008 N LYS A 65 5.657 -7.284 -6.386 1.00 0.00 N ATOM 1009 CA LYS A 65 6.711 -6.268 -6.293 1.00 0.00 C ATOM 1010 C LYS A 65 6.162 -5.116 -5.459 1.00 0.00 C ATOM 1011 O LYS A 65 5.198 -4.471 -5.845 1.00 0.00 O ATOM 1012 CB LYS A 65 7.185 -5.698 -7.629 1.00 0.00 C ATOM 1013 CG LYS A 65 8.217 -6.541 -8.367 1.00 0.00 C ATOM 1014 CD LYS A 65 9.545 -6.728 -7.621 1.00 0.00 C ATOM 1015 CE LYS A 65 10.609 -7.420 -8.483 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.173 -8.721 -8.983 1.00 0.00 N ATOM 0 H LYS A 65 4.730 -6.907 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 65 7.578 -6.760 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.318 -5.565 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.607 -4.708 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.788 -7.523 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.421 -6.078 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.918 -5.755 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.372 -7.317 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.861 -6.777 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.519 -7.547 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.944 -9.411 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.344 -9.040 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.921 -8.640 -9.989 1.00 0.00 H new ATOM 1030 N HIS A 66 6.848 -4.892 -4.327 1.00 0.00 N ATOM 1031 CA HIS A 66 6.444 -3.868 -3.368 1.00 0.00 C ATOM 1032 C HIS A 66 7.305 -2.604 -3.518 1.00 0.00 C ATOM 1033 O HIS A 66 8.332 -2.443 -2.871 1.00 0.00 O ATOM 1034 CB HIS A 66 6.521 -4.452 -1.944 1.00 0.00 C ATOM 1035 CG HIS A 66 6.256 -5.938 -2.011 1.00 0.00 C ATOM 1036 ND1 HIS A 66 7.238 -6.861 -1.932 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.037 -6.594 -2.242 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.637 -8.048 -2.117 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.314 -7.914 -2.307 1.00 0.00 N ATOM 0 H HIS A 66 7.685 -5.410 -4.059 1.00 0.00 H new ATOM 0 HA HIS A 66 5.415 -3.569 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.504 -4.263 -1.512 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.790 -3.967 -1.297 1.00 0.00 H new ATOM 0 HD1 HIS A 66 8.230 -6.692 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.066 -6.133 -2.347 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.155 -8.996 -2.113 1.00 0.00 H new ATOM 1047 N TYR A 67 6.816 -1.723 -4.413 1.00 0.00 N ATOM 1048 CA TYR A 67 7.499 -0.463 -4.676 1.00 0.00 C ATOM 1049 C TYR A 67 7.104 0.534 -3.573 1.00 0.00 C ATOM 1050 O TYR A 67 6.115 0.368 -2.870 1.00 0.00 O ATOM 1051 CB TYR A 67 7.164 0.100 -6.066 1.00 0.00 C ATOM 1052 CG TYR A 67 7.143 -0.945 -7.142 1.00 0.00 C ATOM 1053 CD1 TYR A 67 5.970 -1.633 -7.392 1.00 0.00 C ATOM 1054 CD2 TYR A 67 8.269 -1.236 -7.902 1.00 0.00 C ATOM 1055 CE1 TYR A 67 5.892 -2.595 -8.382 1.00 0.00 C ATOM 1056 CE2 TYR A 67 8.211 -2.204 -8.900 1.00 0.00 C ATOM 1057 CZ TYR A 67 7.017 -2.885 -9.164 1.00 0.00 C ATOM 1058 OH TYR A 67 6.979 -3.860 -10.154 1.00 0.00 O ATOM 0 H TYR A 67 5.963 -1.867 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 67 8.575 -0.634 -4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.191 0.590 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.896 0.865 -6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.094 -1.414 -6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.193 -0.709 -7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.965 -3.122 -8.552 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.096 -2.432 -9.476 1.00 0.00 H new ATOM 0 HH TYR A 67 7.855 -3.917 -10.590 1.00 0.00 H new ATOM 1068 N LYS A 68 7.952 1.570 -3.489 1.00 0.00 N ATOM 1069 CA LYS A 68 7.809 2.619 -2.490 1.00 0.00 C ATOM 1070 C LYS A 68 7.640 4.016 -3.128 1.00 0.00 C ATOM 1071 O LYS A 68 8.582 4.652 -3.586 1.00 0.00 O ATOM 1072 CB LYS A 68 8.914 2.465 -1.436 1.00 0.00 C ATOM 1073 CG LYS A 68 10.289 2.959 -1.861 1.00 0.00 C ATOM 1074 CD LYS A 68 10.807 2.417 -3.199 1.00 0.00 C ATOM 1075 CE LYS A 68 11.017 0.894 -3.245 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.167 0.446 -2.468 1.00 0.00 N ATOM 0 H LYS A 68 8.750 1.697 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 68 6.872 2.509 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.614 3.004 -0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.992 1.412 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.262 4.047 -1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.005 2.697 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.104 2.696 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.753 2.906 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.120 0.399 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.145 0.583 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.253 -0.588 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.031 0.892 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.038 0.714 -1.471 1.00 0.00 H new ATOM 1090 N ILE A 69 6.353 4.427 -3.131 1.00 0.00 N ATOM 1091 CA ILE A 69 5.915 5.723 -3.647 1.00 0.00 C ATOM 1092 C ILE A 69 5.894 6.784 -2.531 1.00 0.00 C ATOM 1093 O ILE A 69 4.921 6.944 -1.808 1.00 0.00 O ATOM 1094 CB ILE A 69 4.622 5.678 -4.510 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.615 4.559 -4.174 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.805 5.924 -6.004 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.176 3.687 -5.357 1.00 0.00 C ATOM 0 H ILE A 69 5.589 3.856 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 69 6.669 6.036 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 69 4.119 6.580 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.056 3.914 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.728 5.013 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.838 5.869 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.238 6.912 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.471 5.167 -6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.469 2.933 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.699 4.312 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.047 3.196 -5.790 1.00 0.00 H new ATOM 1109 N ARG A 70 7.034 7.509 -2.452 1.00 0.00 N ATOM 1110 CA ARG A 70 7.140 8.581 -1.463 1.00 0.00 C ATOM 1111 C ARG A 70 6.477 9.806 -2.064 1.00 0.00 C ATOM 1112 O ARG A 70 6.757 10.193 -3.187 1.00 0.00 O ATOM 1113 CB ARG A 70 8.590 8.950 -1.124 1.00 0.00 C ATOM 1114 CG ARG A 70 9.236 7.958 -0.167 1.00 0.00 C ATOM 1115 CD ARG A 70 9.586 6.683 -0.913 1.00 0.00 C ATOM 1116 NE ARG A 70 10.449 5.823 -0.108 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.765 6.067 0.054 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.339 7.115 -0.523 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.495 5.251 0.803 1.00 0.00 N ATOM 0 H ARG A 70 7.857 7.373 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 70 6.668 8.240 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.174 8.996 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.614 9.946 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.134 8.393 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.556 7.735 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.673 6.147 -1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.086 6.931 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 70 10.041 5.007 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.783 7.748 -1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.336 7.287 -0.392 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.060 4.445 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.491 5.430 0.930 1.00 0.00 H new ATOM 1133 N SER A 71 5.588 10.360 -1.234 1.00 0.00 N ATOM 1134 CA SER A 71 4.832 11.534 -1.620 1.00 0.00 C ATOM 1135 C SER A 71 5.635 12.792 -1.312 1.00 0.00 C ATOM 1136 O SER A 71 5.958 13.081 -0.166 1.00 0.00 O ATOM 1137 CB SER A 71 3.499 11.604 -0.843 1.00 0.00 C ATOM 1138 OG SER A 71 3.505 11.663 0.640 1.00 0.00 O ATOM 0 H SER A 71 5.382 10.010 -0.298 1.00 0.00 H new ATOM 0 HA SER A 71 4.628 11.467 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.962 12.483 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.911 10.732 -1.130 1.00 0.00 H new ATOM 0 HG SER A 71 2.700 12.126 0.952 1.00 0.00 H new ATOM 1144 N LEU A 72 5.922 13.497 -2.421 1.00 0.00 N ATOM 1145 CA LEU A 72 6.671 14.736 -2.416 1.00 0.00 C ATOM 1146 C LEU A 72 5.703 15.903 -2.498 1.00 0.00 C ATOM 1147 O LEU A 72 4.729 15.915 -3.243 1.00 0.00 O ATOM 1148 CB LEU A 72 7.679 14.790 -3.578 1.00 0.00 C ATOM 1149 CG LEU A 72 8.342 13.459 -3.895 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.791 12.714 -2.625 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.524 12.664 -4.926 1.00 0.00 C ATOM 0 H LEU A 72 5.629 13.205 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 72 7.241 14.795 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.167 15.149 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.452 15.520 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 72 9.290 13.635 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.259 11.770 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.508 13.327 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.925 12.518 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.022 11.717 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.527 12.471 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.442 13.240 -5.848 1.00 0.00 H new ATOM 1163 N ASP A 73 6.092 16.876 -1.667 1.00 0.00 N ATOM 1164 CA ASP A 73 5.360 18.127 -1.531 1.00 0.00 C ATOM 1165 C ASP A 73 5.359 18.967 -2.823 1.00 0.00 C ATOM 1166 O ASP A 73 4.470 19.783 -3.036 1.00 0.00 O ATOM 1167 CB ASP A 73 5.991 18.960 -0.403 1.00 0.00 C ATOM 1168 CG ASP A 73 7.517 19.117 -0.564 1.00 0.00 C ATOM 1169 OD1 ASP A 73 8.249 18.252 -0.082 1.00 0.00 O ATOM 1170 OD2 ASP A 73 7.951 20.099 -1.170 1.00 0.00 O ATOM 0 H ASP A 73 6.920 16.813 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 73 4.325 17.869 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.528 19.947 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.777 18.488 0.556 1.00 0.00 H new ATOM 1175 N ASN A 74 6.391 18.712 -3.659 1.00 0.00 N ATOM 1176 CA ASN A 74 6.550 19.471 -4.893 1.00 0.00 C ATOM 1177 C ASN A 74 6.661 18.606 -6.163 1.00 0.00 C ATOM 1178 O ASN A 74 6.871 19.147 -7.241 1.00 0.00 O ATOM 1179 CB ASN A 74 7.808 20.350 -4.735 1.00 0.00 C ATOM 1180 CG ASN A 74 9.087 19.529 -4.441 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.160 18.327 -4.652 1.00 0.00 O ATOM 1182 ND2 ASN A 74 10.091 20.266 -3.943 1.00 0.00 N ATOM 0 H ASN A 74 7.104 18.001 -3.497 1.00 0.00 H new ATOM 0 HA ASN A 74 5.648 20.065 -5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.956 20.929 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.647 21.063 -3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.983 19.826 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.963 21.266 -3.791 1.00 0.00 H new ATOM 1189 N GLY A 75 6.518 17.271 -6.008 1.00 0.00 N ATOM 1190 CA GLY A 75 6.661 16.427 -7.206 1.00 0.00 C ATOM 1191 C GLY A 75 5.707 15.245 -7.349 1.00 0.00 C ATOM 1192 O GLY A 75 5.776 14.504 -8.317 1.00 0.00 O ATOM 0 H GLY A 75 6.319 16.786 -5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.543 17.064 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.680 16.042 -7.227 1.00 0.00 H new ATOM 1196 N GLY A 76 4.815 15.120 -6.363 1.00 0.00 N ATOM 1197 CA GLY A 76 3.824 14.056 -6.385 1.00 0.00 C ATOM 1198 C GLY A 76 4.252 12.760 -5.711 1.00 0.00 C ATOM 1199 O GLY A 76 4.052 12.586 -4.519 1.00 0.00 O ATOM 0 H GLY A 76 4.763 15.736 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.916 14.416 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.568 13.840 -7.422 1.00 0.00 H new ATOM 1203 N TYR A 77 4.828 11.863 -6.550 1.00 0.00 N ATOM 1204 CA TYR A 77 5.268 10.549 -6.093 1.00 0.00 C ATOM 1205 C TYR A 77 6.489 10.112 -6.875 1.00 0.00 C ATOM 1206 O TYR A 77 6.654 10.416 -8.048 1.00 0.00 O ATOM 1207 CB TYR A 77 4.211 9.453 -6.315 1.00 0.00 C ATOM 1208 CG TYR A 77 3.049 9.631 -5.398 1.00 0.00 C ATOM 1209 CD1 TYR A 77 3.099 9.147 -4.107 1.00 0.00 C ATOM 1210 CD2 TYR A 77 1.911 10.264 -5.844 1.00 0.00 C ATOM 1211 CE1 TYR A 77 2.006 9.272 -3.270 1.00 0.00 C ATOM 1212 CE2 TYR A 77 0.793 10.405 -5.034 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.830 9.888 -3.726 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.285 9.985 -2.899 1.00 0.00 O ATOM 0 H TYR A 77 4.992 12.038 -7.541 1.00 0.00 H new ATOM 0 HA TYR A 77 5.467 10.659 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.869 9.479 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.660 8.473 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.998 8.667 -3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.888 10.660 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.057 8.894 -2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.092 10.904 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.001 9.956 -1.962 1.00 0.00 H new ATOM 1224 N TYR A 78 7.325 9.353 -6.130 1.00 0.00 N ATOM 1225 CA TYR A 78 8.521 8.794 -6.746 1.00 0.00 C ATOM 1226 C TYR A 78 8.750 7.363 -6.247 1.00 0.00 C ATOM 1227 O TYR A 78 8.685 7.064 -5.063 1.00 0.00 O ATOM 1228 CB TYR A 78 9.777 9.676 -6.613 1.00 0.00 C ATOM 1229 CG TYR A 78 10.620 9.531 -5.373 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.537 8.496 -5.262 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.550 10.470 -4.354 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.397 8.396 -4.185 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.411 10.393 -3.267 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.362 9.367 -3.180 1.00 0.00 C ATOM 1235 OH TYR A 78 13.257 9.324 -2.118 1.00 0.00 O ATOM 0 H TYR A 78 7.192 9.128 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 78 8.336 8.765 -7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.415 9.479 -7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.462 10.717 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.580 7.747 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.822 11.266 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.092 7.572 -4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.347 11.131 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 78 13.087 10.079 -1.516 1.00 0.00 H new ATOM 1245 N ILE A 79 9.016 6.530 -7.268 1.00 0.00 N ATOM 1246 CA ILE A 79 9.331 5.101 -7.161 1.00 0.00 C ATOM 1247 C ILE A 79 10.762 4.788 -7.605 1.00 0.00 C ATOM 1248 O ILE A 79 11.247 3.666 -7.527 1.00 0.00 O ATOM 1249 CB ILE A 79 8.177 4.154 -7.522 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.208 4.756 -8.537 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.487 3.480 -6.346 1.00 0.00 C ATOM 1252 CD1 ILE A 79 6.248 3.708 -9.102 1.00 0.00 C ATOM 0 H ILE A 79 9.016 6.854 -8.235 1.00 0.00 H new ATOM 0 HA ILE A 79 9.386 4.831 -6.106 1.00 0.00 H new ATOM 0 HB ILE A 79 8.670 3.322 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.636 5.554 -8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.772 5.209 -9.353 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.689 2.835 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.212 2.882 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.065 4.239 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.576 4.179 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.818 2.923 -9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.664 3.274 -8.290 1.00 0.00 H new ATOM 1264 N SER A 80 11.387 5.888 -8.040 1.00 0.00 N ATOM 1265 CA SER A 80 12.763 5.978 -8.452 1.00 0.00 C ATOM 1266 C SER A 80 13.016 7.487 -8.334 1.00 0.00 C ATOM 1267 O SER A 80 12.232 8.258 -8.867 1.00 0.00 O ATOM 1268 CB SER A 80 12.935 5.435 -9.904 1.00 0.00 C ATOM 1269 OG SER A 80 11.965 4.454 -10.456 1.00 0.00 O ATOM 0 H SER A 80 10.904 6.783 -8.112 1.00 0.00 H new ATOM 0 HA SER A 80 13.466 5.387 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.939 6.296 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.924 4.980 -9.964 1.00 0.00 H new ATOM 0 HG SER A 80 12.220 4.223 -11.373 1.00 0.00 H new ATOM 1275 N PRO A 81 14.088 7.943 -7.634 1.00 0.00 N ATOM 1276 CA PRO A 81 14.296 9.386 -7.506 1.00 0.00 C ATOM 1277 C PRO A 81 14.663 10.083 -8.838 1.00 0.00 C ATOM 1278 O PRO A 81 14.709 11.303 -8.932 1.00 0.00 O ATOM 1279 CB PRO A 81 15.382 9.513 -6.430 1.00 0.00 C ATOM 1280 CG PRO A 81 15.649 8.102 -5.899 1.00 0.00 C ATOM 1281 CD PRO A 81 15.113 7.156 -6.959 1.00 0.00 C ATOM 0 HA PRO A 81 13.379 9.903 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.291 9.947 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.054 10.172 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.714 7.941 -5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.150 7.942 -4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.896 6.842 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.697 6.251 -6.516 1.00 0.00 H new ATOM 1289 N ARG A 82 14.883 9.215 -9.852 1.00 0.00 N ATOM 1290 CA ARG A 82 15.197 9.618 -11.215 1.00 0.00 C ATOM 1291 C ARG A 82 13.897 9.869 -12.024 1.00 0.00 C ATOM 1292 O ARG A 82 13.901 10.636 -12.979 1.00 0.00 O ATOM 1293 CB ARG A 82 16.233 8.652 -11.821 1.00 0.00 C ATOM 1294 CG ARG A 82 15.806 7.179 -11.893 1.00 0.00 C ATOM 1295 CD ARG A 82 15.003 6.877 -13.141 1.00 0.00 C ATOM 1296 NE ARG A 82 15.794 7.081 -14.349 1.00 0.00 N ATOM 1297 CZ ARG A 82 15.275 6.862 -15.573 1.00 0.00 C ATOM 1298 NH1 ARG A 82 14.053 6.373 -15.709 1.00 0.00 N ATOM 1299 NH2 ARG A 82 15.989 7.145 -16.652 1.00 0.00 N ATOM 0 H ARG A 82 14.844 8.203 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 82 15.695 10.587 -11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.473 8.991 -12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.150 8.717 -11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.692 6.544 -11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.213 6.931 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.649 5.847 -13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.121 7.516 -13.171 1.00 0.00 H new ATOM 0 HE ARG A 82 16.761 7.396 -14.266 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.495 6.158 -14.883 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.669 6.211 -16.640 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.929 7.528 -16.555 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.598 6.980 -17.580 1.00 0.00 H new ATOM 1313 N ILE A 83 12.793 9.207 -11.579 1.00 0.00 N ATOM 1314 CA ILE A 83 11.476 9.368 -12.191 1.00 0.00 C ATOM 1315 C ILE A 83 10.361 9.508 -11.125 1.00 0.00 C ATOM 1316 O ILE A 83 10.042 8.639 -10.313 1.00 0.00 O ATOM 1317 CB ILE A 83 11.163 8.385 -13.298 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.349 6.947 -12.838 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.954 8.744 -14.567 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.993 6.005 -13.967 1.00 0.00 C ATOM 0 H ILE A 83 12.807 8.557 -10.793 1.00 0.00 H new ATOM 0 HA ILE A 83 11.512 10.318 -12.724 1.00 0.00 H new ATOM 0 HB ILE A 83 10.108 8.463 -13.559 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.381 6.784 -12.526 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.719 6.747 -11.971 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.720 8.029 -15.356 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.681 9.747 -14.894 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.022 8.710 -14.352 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.126 4.975 -13.637 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.954 6.161 -14.257 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.642 6.199 -14.821 1.00 0.00 H new ATOM 1332 N THR A 84 9.808 10.726 -11.265 1.00 0.00 N ATOM 1333 CA THR A 84 8.750 11.270 -10.438 1.00 0.00 C ATOM 1334 C THR A 84 7.568 11.628 -11.354 1.00 0.00 C ATOM 1335 O THR A 84 7.718 11.841 -12.552 1.00 0.00 O ATOM 1336 CB THR A 84 9.336 12.557 -9.778 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.778 12.651 -9.503 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.548 12.866 -8.492 1.00 0.00 C ATOM 0 H THR A 84 10.109 11.375 -11.992 1.00 0.00 H new ATOM 0 HA THR A 84 8.405 10.571 -9.676 1.00 0.00 H new ATOM 0 HB THR A 84 9.213 13.297 -10.569 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.977 13.518 -9.092 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.952 13.764 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.498 13.025 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.635 12.027 -7.801 1.00 0.00 H new ATOM 1346 N PHE A 85 6.397 11.683 -10.692 1.00 0.00 N ATOM 1347 CA PHE A 85 5.121 11.956 -11.362 1.00 0.00 C ATOM 1348 C PHE A 85 4.245 12.746 -10.362 1.00 0.00 C ATOM 1349 O PHE A 85 4.254 12.415 -9.188 1.00 0.00 O ATOM 1350 CB PHE A 85 4.487 10.599 -11.732 1.00 0.00 C ATOM 1351 CG PHE A 85 5.435 9.710 -12.516 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.520 9.808 -13.902 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.262 8.792 -11.862 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.423 9.025 -14.615 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.169 8.011 -12.570 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.254 8.133 -13.949 1.00 0.00 C ATOM 0 H PHE A 85 6.313 11.540 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 85 5.235 12.542 -12.274 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.181 10.084 -10.821 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.585 10.771 -12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.879 10.499 -14.429 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.195 8.688 -10.789 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.478 9.111 -15.690 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.805 7.312 -12.048 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.964 7.537 -14.503 1.00 0.00 H new ATOM 1366 N PRO A 86 3.469 13.771 -10.833 1.00 0.00 N ATOM 1367 CA PRO A 86 2.655 14.635 -9.951 1.00 0.00 C ATOM 1368 C PRO A 86 1.598 13.937 -9.064 1.00 0.00 C ATOM 1369 O PRO A 86 1.071 14.535 -8.135 1.00 0.00 O ATOM 1370 CB PRO A 86 1.981 15.625 -10.922 1.00 0.00 C ATOM 1371 CG PRO A 86 2.078 14.974 -12.305 1.00 0.00 C ATOM 1372 CD PRO A 86 3.328 14.102 -12.249 1.00 0.00 C ATOM 0 HA PRO A 86 3.308 15.086 -9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.942 15.802 -10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.484 16.592 -10.908 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.192 14.378 -12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.157 15.726 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.216 13.205 -12.859 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.203 14.635 -12.623 1.00 0.00 H new ATOM 1380 N THR A 87 1.343 12.657 -9.377 1.00 0.00 N ATOM 1381 CA THR A 87 0.403 11.825 -8.627 1.00 0.00 C ATOM 1382 C THR A 87 0.583 10.415 -9.175 1.00 0.00 C ATOM 1383 O THR A 87 1.326 10.203 -10.126 1.00 0.00 O ATOM 1384 CB THR A 87 -1.093 12.180 -8.819 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.106 11.390 -8.113 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.402 12.418 -10.301 1.00 0.00 C ATOM 0 H THR A 87 1.786 12.174 -10.159 1.00 0.00 H new ATOM 0 HA THR A 87 0.620 11.961 -7.568 1.00 0.00 H new ATOM 0 HB THR A 87 -1.204 13.114 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.998 11.732 -8.331 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.457 12.666 -10.417 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.792 13.242 -10.672 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.177 11.515 -10.869 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.160 9.465 -8.564 1.00 0.00 N ATOM 1395 CA LEU A 88 -0.051 8.126 -9.104 1.00 0.00 C ATOM 1396 C LEU A 88 -0.645 8.078 -10.526 1.00 0.00 C ATOM 1397 O LEU A 88 -0.096 7.351 -11.327 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.813 7.019 -8.343 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.217 6.447 -7.071 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.092 5.731 -7.252 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.003 7.387 -5.948 1.00 0.00 C ATOM 0 H LEU A 88 -0.784 9.595 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 88 1.019 7.928 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.799 7.411 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.964 6.191 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.022 5.759 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.439 5.358 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.957 4.895 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.830 6.421 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.432 6.850 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.687 8.175 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.948 7.829 -5.652 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.715 8.851 -10.872 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.253 8.572 -12.236 1.00 0.00 C ATOM 1415 C GLN A 89 -1.283 8.808 -13.418 1.00 0.00 C ATOM 1416 O GLN A 89 -1.327 8.067 -14.389 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.722 8.980 -12.516 1.00 0.00 C ATOM 1418 CG GLN A 89 -4.311 10.177 -11.762 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.910 11.575 -12.265 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.425 12.578 -11.794 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.992 11.607 -13.242 1.00 0.00 N ATOM 0 H GLN A 89 -2.170 9.575 -10.316 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.325 7.486 -12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.810 9.186 -13.583 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.351 8.115 -12.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.398 10.101 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.021 10.096 -10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.595 10.737 -13.598 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.691 12.501 -13.629 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.406 9.823 -13.308 1.00 0.00 N ATOM 1431 CA ALA A 90 0.547 10.075 -14.398 1.00 0.00 C ATOM 1432 C ALA A 90 1.744 9.089 -14.352 1.00 0.00 C ATOM 1433 O ALA A 90 2.570 9.025 -15.254 1.00 0.00 O ATOM 1434 CB ALA A 90 1.047 11.520 -14.286 1.00 0.00 C ATOM 0 H ALA A 90 -0.338 10.456 -12.511 1.00 0.00 H new ATOM 0 HA ALA A 90 0.040 9.922 -15.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.756 11.723 -15.089 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.202 12.204 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.539 11.661 -13.323 1.00 0.00 H new ATOM 1440 N LEU A 91 1.778 8.340 -13.237 1.00 0.00 N ATOM 1441 CA LEU A 91 2.775 7.315 -12.963 1.00 0.00 C ATOM 1442 C LEU A 91 2.273 5.990 -13.574 1.00 0.00 C ATOM 1443 O LEU A 91 2.999 5.275 -14.249 1.00 0.00 O ATOM 1444 CB LEU A 91 2.992 7.360 -11.436 1.00 0.00 C ATOM 1445 CG LEU A 91 3.423 6.100 -10.680 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.118 6.502 -9.370 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.230 5.200 -10.365 1.00 0.00 C ATOM 0 H LEU A 91 1.092 8.440 -12.489 1.00 0.00 H new ATOM 0 HA LEU A 91 3.755 7.456 -13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.741 8.127 -11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.060 7.703 -10.987 1.00 0.00 H new ATOM 0 HG LEU A 91 4.110 5.542 -11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.425 5.606 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.995 7.109 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.427 7.077 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.573 4.316 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.516 5.745 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.748 4.896 -11.294 1.00 0.00 H new ATOM 1459 N VAL A 92 0.963 5.757 -13.345 1.00 0.00 N ATOM 1460 CA VAL A 92 0.236 4.591 -13.809 1.00 0.00 C ATOM 1461 C VAL A 92 -0.015 4.680 -15.337 1.00 0.00 C ATOM 1462 O VAL A 92 -0.432 3.705 -15.936 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.119 4.465 -13.034 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.644 3.050 -12.934 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -1.134 4.897 -11.560 1.00 0.00 C ATOM 0 H VAL A 92 0.379 6.404 -12.815 1.00 0.00 H new ATOM 0 HA VAL A 92 0.835 3.701 -13.615 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.713 5.136 -13.655 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.585 3.049 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.809 2.652 -13.935 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.917 2.428 -12.411 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.134 4.756 -11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.422 4.293 -10.997 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.856 5.948 -11.486 1.00 0.00 H new ATOM 1475 N GLN A 93 0.273 5.867 -15.939 1.00 0.00 N ATOM 1476 CA GLN A 93 0.034 6.088 -17.370 1.00 0.00 C ATOM 1477 C GLN A 93 1.311 5.729 -18.153 1.00 0.00 C ATOM 1478 O GLN A 93 1.311 4.918 -19.076 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.466 7.534 -17.666 1.00 0.00 C ATOM 1480 CG GLN A 93 0.587 8.621 -17.967 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.067 9.979 -18.269 1.00 0.00 C ATOM 1482 OE1 GLN A 93 0.101 10.953 -17.549 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -0.805 9.982 -19.388 1.00 0.00 N ATOM 0 H GLN A 93 0.667 6.671 -15.450 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.772 5.434 -17.703 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.146 7.484 -18.517 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.052 7.866 -16.809 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.259 8.722 -17.115 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.195 8.313 -18.818 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.900 9.129 -19.939 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.272 10.838 -19.689 1.00 0.00 H new ATOM 1492 N HIS A 94 2.405 6.379 -17.696 1.00 0.00 N ATOM 1493 CA HIS A 94 3.720 6.209 -18.291 1.00 0.00 C ATOM 1494 C HIS A 94 4.188 4.758 -18.139 1.00 0.00 C ATOM 1495 O HIS A 94 4.740 4.174 -19.063 1.00 0.00 O ATOM 1496 CB HIS A 94 4.702 7.183 -17.621 1.00 0.00 C ATOM 1497 CG HIS A 94 6.106 6.963 -18.144 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.150 6.640 -17.355 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.556 7.029 -19.473 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.204 6.515 -18.176 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.878 6.742 -19.462 1.00 0.00 N ATOM 0 H HIS A 94 2.386 7.028 -16.910 1.00 0.00 H new ATOM 0 HA HIS A 94 3.675 6.431 -19.357 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.393 8.210 -17.813 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.684 7.041 -16.540 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.958 7.265 -20.341 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.200 6.261 -17.843 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.503 6.705 -20.267 1.00 0.00 H new ATOM 1509 N TYR A 95 3.908 4.220 -16.933 1.00 0.00 N ATOM 1510 CA TYR A 95 4.312 2.850 -16.671 1.00 0.00 C ATOM 1511 C TYR A 95 3.442 1.833 -17.417 1.00 0.00 C ATOM 1512 O TYR A 95 3.882 0.711 -17.625 1.00 0.00 O ATOM 1513 CB TYR A 95 4.352 2.574 -15.169 1.00 0.00 C ATOM 1514 CG TYR A 95 5.500 3.243 -14.446 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.790 3.268 -14.968 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.288 3.816 -13.201 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.846 3.823 -14.258 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.331 4.379 -12.484 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.632 4.338 -12.979 1.00 0.00 C ATOM 1520 OH TYR A 95 8.692 4.761 -12.186 1.00 0.00 O ATOM 0 H TYR A 95 3.428 4.696 -16.169 1.00 0.00 H new ATOM 0 HA TYR A 95 5.323 2.728 -17.060 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.414 2.907 -14.725 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.415 1.497 -15.010 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.973 2.847 -15.946 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.292 3.823 -12.783 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.833 3.856 -14.696 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.134 4.853 -11.534 1.00 0.00 H new ATOM 0 HH TYR A 95 8.383 5.459 -11.571 1.00 0.00 H new ATOM 1530 N SER A 96 2.216 2.239 -17.833 1.00 0.00 N ATOM 1531 CA SER A 96 1.422 1.250 -18.574 1.00 0.00 C ATOM 1532 C SER A 96 2.089 0.817 -19.892 1.00 0.00 C ATOM 1533 O SER A 96 1.985 -0.337 -20.280 1.00 0.00 O ATOM 1534 CB SER A 96 -0.005 1.781 -18.926 1.00 0.00 C ATOM 1535 OG SER A 96 -0.997 2.080 -17.870 1.00 0.00 O ATOM 0 H SER A 96 1.793 3.155 -17.684 1.00 0.00 H new ATOM 0 HA SER A 96 1.351 0.396 -17.901 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.130 2.696 -19.503 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.461 1.048 -19.592 1.00 0.00 H new ATOM 0 HG SER A 96 -0.667 2.813 -17.309 1.00 0.00 H new ATOM 1541 N LYS A 97 2.761 1.783 -20.553 1.00 0.00 N ATOM 1542 CA LYS A 97 3.403 1.456 -21.833 1.00 0.00 C ATOM 1543 C LYS A 97 4.940 1.293 -21.751 1.00 0.00 C ATOM 1544 O LYS A 97 5.531 0.622 -22.589 1.00 0.00 O ATOM 1545 CB LYS A 97 3.056 2.557 -22.858 1.00 0.00 C ATOM 1546 CG LYS A 97 1.678 2.387 -23.521 1.00 0.00 C ATOM 1547 CD LYS A 97 0.484 2.607 -22.584 1.00 0.00 C ATOM 1548 CE LYS A 97 -0.848 2.603 -23.348 1.00 0.00 C ATOM 1549 NZ LYS A 97 -2.005 2.922 -22.513 1.00 0.00 N ATOM 0 H LYS A 97 2.868 2.747 -20.238 1.00 0.00 H new ATOM 0 HA LYS A 97 3.015 0.484 -22.138 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.090 3.526 -22.360 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.821 2.570 -23.634 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.602 3.086 -24.354 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.613 1.383 -23.940 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.470 1.826 -21.824 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.601 3.557 -22.063 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.791 3.323 -24.164 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.996 1.621 -23.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.868 2.901 -23.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.085 2.222 -21.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.886 3.870 -22.103 1.00 0.00 H new ATOM 1563 N LYS A 98 5.551 1.901 -20.713 1.00 0.00 N ATOM 1564 CA LYS A 98 6.999 1.871 -20.580 1.00 0.00 C ATOM 1565 C LYS A 98 7.391 1.838 -19.089 1.00 0.00 C ATOM 1566 O LYS A 98 7.259 2.816 -18.367 1.00 0.00 O ATOM 1567 CB LYS A 98 7.478 3.142 -21.303 1.00 0.00 C ATOM 1568 CG LYS A 98 8.893 3.011 -21.830 1.00 0.00 C ATOM 1569 CD LYS A 98 9.946 3.438 -20.817 1.00 0.00 C ATOM 1570 CE LYS A 98 11.329 2.971 -21.249 1.00 0.00 C ATOM 1571 NZ LYS A 98 12.409 3.713 -20.605 1.00 0.00 N ATOM 0 H LYS A 98 5.064 2.407 -19.973 1.00 0.00 H new ATOM 0 HA LYS A 98 7.461 0.985 -21.015 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.804 3.361 -22.131 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.426 3.988 -20.617 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.073 1.975 -22.119 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.997 3.616 -22.731 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.939 4.523 -20.713 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.706 3.023 -19.838 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.437 1.911 -21.019 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.420 3.074 -22.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.125 3.969 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.026 4.578 -20.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.846 3.122 -19.869 1.00 0.00 H new ATOM 1585 N GLY A 99 7.915 0.649 -18.699 1.00 0.00 N ATOM 1586 CA GLY A 99 8.348 0.361 -17.329 1.00 0.00 C ATOM 1587 C GLY A 99 9.412 1.314 -16.757 1.00 0.00 C ATOM 1588 O GLY A 99 9.377 1.653 -15.583 1.00 0.00 O ATOM 0 H GLY A 99 8.045 -0.135 -19.338 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.475 0.386 -16.677 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.740 -0.655 -17.297 1.00 0.00 H new ATOM 1592 N ASP A 100 10.364 1.695 -17.637 1.00 0.00 N ATOM 1593 CA ASP A 100 11.461 2.627 -17.339 1.00 0.00 C ATOM 1594 C ASP A 100 12.184 2.375 -15.992 1.00 0.00 C ATOM 1595 O ASP A 100 12.661 3.303 -15.350 1.00 0.00 O ATOM 1596 CB ASP A 100 10.925 4.075 -17.410 1.00 0.00 C ATOM 1597 CG ASP A 100 12.006 5.144 -17.672 1.00 0.00 C ATOM 1598 OD1 ASP A 100 13.124 4.797 -18.051 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.720 6.326 -17.494 1.00 0.00 O ATOM 0 H ASP A 100 10.387 1.351 -18.597 1.00 0.00 H new ATOM 0 HA ASP A 100 12.226 2.456 -18.097 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.175 4.133 -18.199 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.420 4.309 -16.473 1.00 0.00 H new ATOM 1604 N GLY A 101 12.241 1.088 -15.604 1.00 0.00 N ATOM 1605 CA GLY A 101 12.910 0.734 -14.347 1.00 0.00 C ATOM 1606 C GLY A 101 12.163 -0.328 -13.536 1.00 0.00 C ATOM 1607 O GLY A 101 12.767 -1.161 -12.871 1.00 0.00 O ATOM 0 H GLY A 101 11.846 0.304 -16.123 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.914 0.371 -14.568 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.022 1.632 -13.739 1.00 0.00 H new ATOM 1611 N LEU A 102 10.819 -0.249 -13.651 1.00 0.00 N ATOM 1612 CA LEU A 102 9.908 -1.160 -12.959 1.00 0.00 C ATOM 1613 C LEU A 102 10.250 -2.650 -13.214 1.00 0.00 C ATOM 1614 O LEU A 102 10.020 -3.486 -12.352 1.00 0.00 O ATOM 1615 CB LEU A 102 8.456 -0.846 -13.384 1.00 0.00 C ATOM 1616 CG LEU A 102 7.785 0.366 -12.697 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.264 0.312 -12.885 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.076 0.497 -11.192 1.00 0.00 C ATOM 0 H LEU A 102 10.346 0.448 -14.226 1.00 0.00 H new ATOM 0 HA LEU A 102 10.021 -1.001 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.444 -0.678 -14.461 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.846 -1.728 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 102 8.223 1.237 -13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.806 1.172 -12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.028 0.332 -13.949 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.875 -0.606 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.564 1.375 -10.797 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.721 -0.394 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.150 0.603 -11.037 1.00 0.00 H new ATOM 1630 N CYS A 103 10.797 -2.919 -14.424 1.00 0.00 N ATOM 1631 CA CYS A 103 11.208 -4.249 -14.901 1.00 0.00 C ATOM 1632 C CYS A 103 10.026 -4.997 -15.550 1.00 0.00 C ATOM 1633 O CYS A 103 10.137 -5.598 -16.610 1.00 0.00 O ATOM 1634 CB CYS A 103 11.965 -5.094 -13.855 1.00 0.00 C ATOM 1635 SG CYS A 103 10.988 -6.172 -12.771 1.00 0.00 S ATOM 0 H CYS A 103 10.967 -2.187 -15.113 1.00 0.00 H new ATOM 0 HA CYS A 103 11.952 -4.076 -15.679 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.686 -5.717 -14.385 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.536 -4.413 -13.224 1.00 0.00 H new ATOM 0 HG CYS A 103 10.047 -5.478 -12.203 1.00 0.00 H new ATOM 1641 N GLN A 104 8.898 -4.894 -14.825 1.00 0.00 N ATOM 1642 CA GLN A 104 7.604 -5.437 -15.171 1.00 0.00 C ATOM 1643 C GLN A 104 6.676 -4.264 -14.909 1.00 0.00 C ATOM 1644 O GLN A 104 6.319 -3.932 -13.785 1.00 0.00 O ATOM 1645 CB GLN A 104 7.220 -6.640 -14.294 1.00 0.00 C ATOM 1646 CG GLN A 104 8.168 -7.844 -14.425 1.00 0.00 C ATOM 1647 CD GLN A 104 8.282 -8.340 -15.874 1.00 0.00 C ATOM 1648 OE1 GLN A 104 7.311 -8.396 -16.618 1.00 0.00 O ATOM 1649 NE2 GLN A 104 9.531 -8.675 -16.225 1.00 0.00 N ATOM 0 H GLN A 104 8.881 -4.398 -13.934 1.00 0.00 H new ATOM 0 HA GLN A 104 7.568 -5.817 -16.192 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.196 -6.322 -13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.210 -6.957 -14.554 1.00 0.00 H new ATOM 0 HG2 GLN A 104 9.157 -7.567 -14.059 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.810 -8.656 -13.792 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.289 -8.601 -15.546 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.724 -9.004 -17.171 1.00 0.00 H new ATOM 1658 N LYS A 105 6.373 -3.650 -16.060 1.00 0.00 N ATOM 1659 CA LYS A 105 5.543 -2.473 -16.142 1.00 0.00 C ATOM 1660 C LYS A 105 4.133 -2.770 -15.599 1.00 0.00 C ATOM 1661 O LYS A 105 3.838 -3.826 -15.057 1.00 0.00 O ATOM 1662 CB LYS A 105 5.584 -1.975 -17.601 1.00 0.00 C ATOM 1663 CG LYS A 105 4.507 -2.540 -18.551 1.00 0.00 C ATOM 1664 CD LYS A 105 4.591 -1.958 -19.964 1.00 0.00 C ATOM 1665 CE LYS A 105 5.649 -2.655 -20.796 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.656 -2.222 -22.190 1.00 0.00 N ATOM 0 H LYS A 105 6.710 -3.974 -16.967 1.00 0.00 H new ATOM 0 HA LYS A 105 5.912 -1.665 -15.510 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.496 -0.889 -17.593 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.564 -2.213 -18.016 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.609 -3.624 -18.604 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.520 -2.333 -18.137 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.622 -2.052 -20.454 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.817 -0.893 -19.906 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.629 -2.467 -20.358 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.483 -3.732 -20.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.532 -2.543 -22.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.837 -2.630 -22.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.604 -1.184 -22.231 1.00 0.00 H new ATOM 1680 N LEU A 106 3.294 -1.751 -15.806 1.00 0.00 N ATOM 1681 CA LEU A 106 1.908 -1.758 -15.363 1.00 0.00 C ATOM 1682 C LEU A 106 0.942 -2.108 -16.510 1.00 0.00 C ATOM 1683 O LEU A 106 1.263 -1.897 -17.670 1.00 0.00 O ATOM 1684 CB LEU A 106 1.728 -0.367 -14.762 1.00 0.00 C ATOM 1685 CG LEU A 106 2.601 -0.171 -13.496 1.00 0.00 C ATOM 1686 CD1 LEU A 106 2.420 1.204 -12.844 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.441 -1.295 -12.454 1.00 0.00 C ATOM 0 H LEU A 106 3.565 -0.895 -16.290 1.00 0.00 H new ATOM 0 HA LEU A 106 1.676 -2.530 -14.629 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.990 0.387 -15.505 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.679 -0.213 -14.508 1.00 0.00 H new ATOM 0 HG LEU A 106 3.624 -0.225 -13.867 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.059 1.276 -11.964 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.694 1.983 -13.556 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.379 1.332 -12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.082 -1.090 -11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.402 -1.343 -12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.726 -2.248 -12.900 1.00 0.00 H new ATOM 1699 N THR A 107 -0.237 -2.680 -16.153 1.00 0.00 N ATOM 1700 CA THR A 107 -1.177 -3.048 -17.221 1.00 0.00 C ATOM 1701 C THR A 107 -2.651 -2.796 -16.855 1.00 0.00 C ATOM 1702 O THR A 107 -3.167 -1.721 -17.134 1.00 0.00 O ATOM 1703 CB THR A 107 -0.968 -4.491 -17.807 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.535 -5.666 -17.133 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.521 -4.728 -18.190 1.00 0.00 C ATOM 0 H THR A 107 -0.538 -2.882 -15.200 1.00 0.00 H new ATOM 0 HA THR A 107 -0.925 -2.360 -18.028 1.00 0.00 H new ATOM 0 HB THR A 107 -1.620 -4.440 -18.679 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.811 -6.210 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.637 -5.734 -18.593 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.824 -3.999 -18.942 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.147 -4.617 -17.304 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.307 -3.812 -16.236 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.745 -3.681 -15.967 1.00 0.00 C ATOM 1715 C LEU A 108 -5.088 -4.028 -14.508 1.00 0.00 C ATOM 1716 O LEU A 108 -4.691 -5.079 -14.037 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.487 -4.692 -16.858 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.171 -4.604 -18.357 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.758 -5.808 -19.101 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -5.685 -3.295 -18.969 1.00 0.00 C ATOM 0 H LEU A 108 -2.880 -4.687 -15.930 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.036 -2.649 -16.165 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.250 -5.698 -16.512 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.559 -4.553 -16.721 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.086 -4.616 -18.465 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.524 -5.729 -20.163 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.328 -6.727 -18.702 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.840 -5.826 -18.968 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.442 -3.270 -20.031 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.766 -3.234 -18.842 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.213 -2.449 -18.469 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.878 -3.156 -13.813 1.00 0.00 N ATOM 1733 CA PRO A 109 -6.276 -3.381 -12.419 1.00 0.00 C ATOM 1734 C PRO A 109 -6.853 -4.780 -12.139 1.00 0.00 C ATOM 1735 O PRO A 109 -7.577 -5.355 -12.943 1.00 0.00 O ATOM 1736 CB PRO A 109 -7.280 -2.270 -12.087 1.00 0.00 C ATOM 1737 CG PRO A 109 -7.116 -1.226 -13.196 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.461 -1.943 -14.377 1.00 0.00 C ATOM 0 HA PRO A 109 -5.395 -3.345 -11.778 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.299 -2.657 -12.060 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.077 -1.837 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.082 -0.810 -13.483 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.499 -0.394 -12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.193 -2.180 -15.149 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.698 -1.319 -14.842 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.446 -5.278 -10.951 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.855 -6.596 -10.456 1.00 0.00 C ATOM 1748 C CYS A 110 -8.400 -6.754 -10.387 1.00 0.00 C ATOM 1749 O CYS A 110 -9.137 -5.779 -10.455 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.199 -6.798 -9.082 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.534 -8.390 -8.291 1.00 0.00 S ATOM 0 H CYS A 110 -5.827 -4.774 -10.316 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.522 -7.366 -11.152 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.120 -6.686 -9.193 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.535 -6.003 -8.417 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.332 -9.350 -9.144 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.844 -8.026 -10.265 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.278 -8.309 -10.184 1.00 0.00 C ATOM 1759 C VAL A 111 -10.671 -8.354 -8.698 1.00 0.00 C ATOM 1760 O VAL A 111 -9.838 -8.527 -7.815 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.620 -9.613 -10.936 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.226 -10.885 -10.175 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -12.106 -9.679 -11.326 1.00 0.00 C ATOM 0 H VAL A 111 -8.241 -8.847 -10.222 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.857 -7.525 -10.672 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.014 -9.579 -11.842 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.497 -11.761 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.150 -10.885 -9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.750 -10.915 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.303 -10.613 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.721 -9.633 -10.427 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.350 -8.838 -11.975 1.00 0.00 H new