USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -90:sc= 0.0898 USER MOD Set 1.2: A 109 HIS : no HE2:sc= -4.11 K(o=-4,f=-4.5) USER MOD Set 2.1: A 58 TYR OH : rot 89:sc= 0.551 USER MOD Set 2.2: A 74 TYR OH : rot -30:sc=-0.00191 USER MOD Set 3.1: A 34 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 17 HIS : no HD1:sc= 0.0736 K(o=0.16,f=-2.2!) USER MOD Set 4.2: A 20 LYS NZ :NH3+ -149:sc= 0.0877 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.471 K(o=-0.47,f=-3.2!) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000843) USER MOD Single : A 16 THR OG1 : rot 170:sc= 0.106 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 22 THR OG1 : rot 55:sc= 0.105 USER MOD Single : A 25 HIS : no HD1:sc= -4.27! C(o=-4.3!,f=-5.4!) USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.0281 (180deg=-0.276) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 35 MET CE :methyl 158:sc= -2.25 (180deg=-3.16) USER MOD Single : A 37 THR OG1 : rot -100:sc= -0.277 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.98! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 143:sc= -3! (180deg=-7.04!) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0323) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -2.96 K(o=-3,f=-11!) USER MOD Single : A 92 TYR OH : rot -91:sc= 0.208 USER MOD Single : A 93 THR OG1 : rot 42:sc= -2! USER MOD Single : A 103 ASN : amide:sc= -4.68! C(o=-4.7!,f=-8.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 111 ASN : amide:sc= -0.0853 K(o=-0.085,f=-0.71) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -0.820 -8.661 11.507 1.00 0.00 N ATOM 180 CA ASN A 10 -0.641 -7.488 10.667 1.00 0.00 C ATOM 181 C ASN A 10 0.751 -6.895 10.828 1.00 0.00 C ATOM 182 O ASN A 10 1.289 -6.281 9.907 1.00 0.00 O ATOM 183 CB ASN A 10 -1.693 -6.438 11.011 1.00 0.00 C ATOM 184 CG ASN A 10 -2.214 -6.569 12.430 1.00 0.00 C ATOM 185 OD1 ASN A 10 -1.472 -6.921 13.348 1.00 0.00 O ATOM 186 ND2 ASN A 10 -3.498 -6.285 12.618 1.00 0.00 N ATOM 0 HA ASN A 10 -0.758 -7.798 9.628 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.265 -5.444 10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.526 -6.524 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.904 -6.355 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.077 -5.997 11.829 1.00 0.00 H new ATOM 193 N ASP A 11 1.328 -7.084 12.002 1.00 0.00 N ATOM 194 CA ASP A 11 2.646 -6.560 12.296 1.00 0.00 C ATOM 195 C ASP A 11 3.746 -7.512 11.840 1.00 0.00 C ATOM 196 O ASP A 11 4.073 -8.483 12.525 1.00 0.00 O ATOM 197 CB ASP A 11 2.777 -6.282 13.791 1.00 0.00 C ATOM 198 CG ASP A 11 2.463 -7.499 14.640 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.266 -7.788 14.845 1.00 0.00 O ATOM 200 OD2 ASP A 11 3.416 -8.160 15.104 1.00 0.00 O ATOM 0 H ASP A 11 0.899 -7.600 12.770 1.00 0.00 H new ATOM 0 HA ASP A 11 2.765 -5.628 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.791 -5.945 14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.105 -5.469 14.066 1.00 0.00 H new ATOM 205 N LYS A 12 4.305 -7.228 10.672 1.00 0.00 N ATOM 206 CA LYS A 12 5.385 -8.025 10.120 1.00 0.00 C ATOM 207 C LYS A 12 6.658 -7.190 10.134 1.00 0.00 C ATOM 208 O LYS A 12 7.084 -6.649 9.113 1.00 0.00 O ATOM 209 CB LYS A 12 5.056 -8.484 8.699 1.00 0.00 C ATOM 210 CG LYS A 12 6.223 -9.162 8.011 1.00 0.00 C ATOM 211 CD LYS A 12 5.953 -9.408 6.539 1.00 0.00 C ATOM 212 CE LYS A 12 7.235 -9.744 5.795 1.00 0.00 C ATOM 213 NZ LYS A 12 7.796 -11.056 6.220 1.00 0.00 N ATOM 0 H LYS A 12 4.023 -6.443 10.085 1.00 0.00 H new ATOM 0 HA LYS A 12 5.523 -8.920 10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.211 -9.172 8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.743 -7.623 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.115 -8.544 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.432 -10.111 8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.240 -10.225 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.494 -8.523 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.038 -9.763 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.972 -8.960 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.660 -11.256 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.024 -11.024 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.096 -11.806 6.046 1.00 0.00 H new ATOM 227 N TRP A 13 7.240 -7.069 11.315 1.00 0.00 N ATOM 228 CA TRP A 13 8.432 -6.277 11.513 1.00 0.00 C ATOM 229 C TRP A 13 9.683 -7.106 11.232 1.00 0.00 C ATOM 230 O TRP A 13 10.028 -7.998 12.007 1.00 0.00 O ATOM 231 CB TRP A 13 8.411 -5.740 12.951 1.00 0.00 C ATOM 232 CG TRP A 13 7.115 -5.042 13.308 1.00 0.00 C ATOM 233 CD1 TRP A 13 5.930 -5.105 12.623 1.00 0.00 C ATOM 234 CD2 TRP A 13 6.868 -4.172 14.428 1.00 0.00 C ATOM 235 NE1 TRP A 13 4.981 -4.331 13.232 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.523 -3.750 14.341 1.00 0.00 C ATOM 237 CE3 TRP A 13 7.646 -3.705 15.493 1.00 0.00 C ATOM 238 CZ2 TRP A 13 4.942 -2.892 15.267 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.067 -2.852 16.416 1.00 0.00 C ATOM 240 CH2 TRP A 13 5.727 -2.453 16.298 1.00 0.00 C ATOM 0 H TRP A 13 6.895 -7.520 12.162 1.00 0.00 H new ATOM 0 HA TRP A 13 8.454 -5.439 10.817 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.574 -6.566 13.643 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.240 -5.044 13.084 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.768 -5.685 11.727 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.021 -4.208 12.909 1.00 0.00 H new ATOM 0 HE3 TRP A 13 8.679 -4.005 15.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.911 -2.584 15.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.658 -2.486 17.243 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.307 -1.786 17.036 1.00 0.00 H new ATOM 251 N VAL A 14 10.368 -6.808 10.119 1.00 0.00 N ATOM 252 CA VAL A 14 11.560 -7.573 9.743 1.00 0.00 C ATOM 253 C VAL A 14 12.595 -6.725 9.011 1.00 0.00 C ATOM 254 O VAL A 14 12.473 -5.505 8.923 1.00 0.00 O ATOM 255 CB VAL A 14 11.191 -8.774 8.848 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.354 -9.785 9.616 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.461 -8.304 7.598 1.00 0.00 C ATOM 0 H VAL A 14 10.121 -6.056 9.475 1.00 0.00 H new ATOM 0 HA VAL A 14 11.996 -7.922 10.679 1.00 0.00 H new ATOM 0 HB VAL A 14 12.113 -9.267 8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.106 -10.623 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.919 -10.148 10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.436 -9.310 9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.209 -9.165 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.548 -7.783 7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.103 -7.627 7.034 1.00 0.00 H new ATOM 267 N ASP A 15 13.616 -7.404 8.490 1.00 0.00 N ATOM 268 CA ASP A 15 14.699 -6.753 7.766 1.00 0.00 C ATOM 269 C ASP A 15 14.476 -6.831 6.258 1.00 0.00 C ATOM 270 O ASP A 15 13.507 -7.435 5.799 1.00 0.00 O ATOM 271 CB ASP A 15 16.027 -7.409 8.135 1.00 0.00 C ATOM 272 CG ASP A 15 16.179 -8.791 7.531 1.00 0.00 C ATOM 273 OD1 ASP A 15 15.760 -9.772 8.181 1.00 0.00 O ATOM 274 OD2 ASP A 15 16.717 -8.894 6.409 1.00 0.00 O ATOM 0 H ASP A 15 13.713 -8.417 8.559 1.00 0.00 H new ATOM 0 HA ASP A 15 14.721 -5.700 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.848 -6.776 7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.105 -7.480 9.220 1.00 0.00 H new ATOM 279 N THR A 16 15.380 -6.221 5.490 1.00 0.00 N ATOM 280 CA THR A 16 15.266 -6.230 4.033 1.00 0.00 C ATOM 281 C THR A 16 16.486 -5.601 3.364 1.00 0.00 C ATOM 282 O THR A 16 17.461 -5.250 4.026 1.00 0.00 O ATOM 283 CB THR A 16 14.005 -5.470 3.573 1.00 0.00 C ATOM 284 OG1 THR A 16 13.574 -5.959 2.298 1.00 0.00 O ATOM 285 CG2 THR A 16 14.264 -3.972 3.479 1.00 0.00 C ATOM 0 H THR A 16 16.192 -5.719 5.849 1.00 0.00 H new ATOM 0 HA THR A 16 15.198 -7.276 3.734 1.00 0.00 H new ATOM 0 HB THR A 16 13.225 -5.640 4.316 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.691 -5.590 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.356 -3.466 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.560 -3.592 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.062 -3.785 2.760 1.00 0.00 H new ATOM 293 N HIS A 17 16.415 -5.468 2.040 1.00 0.00 N ATOM 294 CA HIS A 17 17.492 -4.867 1.263 1.00 0.00 C ATOM 295 C HIS A 17 16.959 -3.679 0.468 1.00 0.00 C ATOM 296 O HIS A 17 15.801 -3.298 0.623 1.00 0.00 O ATOM 297 CB HIS A 17 18.116 -5.898 0.322 1.00 0.00 C ATOM 298 CG HIS A 17 18.610 -7.126 1.021 1.00 0.00 C ATOM 299 ND1 HIS A 17 17.854 -8.272 1.156 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.793 -7.386 1.628 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.551 -9.182 1.813 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.730 -8.670 2.111 1.00 0.00 N ATOM 0 H HIS A 17 15.616 -5.771 1.483 1.00 0.00 H new ATOM 0 HA HIS A 17 18.264 -4.517 1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.378 -6.188 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 17 18.946 -5.435 -0.212 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.630 -6.709 1.716 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.213 -10.177 2.064 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.474 -9.150 2.618 1.00 0.00 H new ATOM 311 N VAL A 18 17.796 -3.099 -0.388 1.00 0.00 N ATOM 312 CA VAL A 18 17.388 -1.943 -1.183 1.00 0.00 C ATOM 313 C VAL A 18 16.412 -2.320 -2.296 1.00 0.00 C ATOM 314 O VAL A 18 16.611 -3.302 -3.013 1.00 0.00 O ATOM 315 CB VAL A 18 18.601 -1.229 -1.807 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.169 0.071 -2.476 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.668 -0.969 -0.755 1.00 0.00 C ATOM 0 H VAL A 18 18.755 -3.407 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 18 16.885 -1.268 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 18 19.030 -1.878 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.039 0.563 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.444 -0.147 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.714 0.728 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.517 -0.464 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.256 -0.340 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.997 -1.917 -0.329 1.00 0.00 H new ATOM 327 N GLY A 19 15.357 -1.520 -2.423 1.00 0.00 N ATOM 328 CA GLY A 19 14.347 -1.738 -3.446 1.00 0.00 C ATOM 329 C GLY A 19 13.715 -3.112 -3.402 1.00 0.00 C ATOM 330 O GLY A 19 13.086 -3.531 -4.375 1.00 0.00 O ATOM 0 H GLY A 19 15.182 -0.712 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.566 -0.986 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.799 -1.588 -4.426 1.00 0.00 H new ATOM 334 N LYS A 20 13.886 -3.826 -2.294 1.00 0.00 N ATOM 335 CA LYS A 20 13.294 -5.149 -2.154 1.00 0.00 C ATOM 336 C LYS A 20 11.782 -5.062 -2.320 1.00 0.00 C ATOM 337 O LYS A 20 11.044 -4.930 -1.342 1.00 0.00 O ATOM 338 CB LYS A 20 13.647 -5.750 -0.794 1.00 0.00 C ATOM 339 CG LYS A 20 13.833 -7.250 -0.830 1.00 0.00 C ATOM 340 CD LYS A 20 15.168 -7.583 -1.447 1.00 0.00 C ATOM 341 CE LYS A 20 15.589 -9.013 -1.146 1.00 0.00 C ATOM 342 NZ LYS A 20 16.910 -9.341 -1.750 1.00 0.00 N ATOM 0 H LYS A 20 14.425 -3.513 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 20 13.697 -5.799 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.563 -5.287 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.859 -5.506 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.777 -7.657 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.031 -7.712 -1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.116 -7.439 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.924 -6.895 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.637 -9.158 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.835 -9.701 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.938 -10.351 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.050 -8.772 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.666 -9.129 -1.068 1.00 0.00 H new ATOM 356 N THR A 21 11.330 -5.126 -3.568 1.00 0.00 N ATOM 357 CA THR A 21 9.910 -5.034 -3.875 1.00 0.00 C ATOM 358 C THR A 21 9.112 -6.111 -3.154 1.00 0.00 C ATOM 359 O THR A 21 9.094 -7.270 -3.568 1.00 0.00 O ATOM 360 CB THR A 21 9.649 -5.147 -5.387 1.00 0.00 C ATOM 361 OG1 THR A 21 10.641 -4.411 -6.114 1.00 0.00 O ATOM 362 CG2 THR A 21 8.267 -4.615 -5.732 1.00 0.00 C ATOM 0 H THR A 21 11.930 -5.242 -4.385 1.00 0.00 H new ATOM 0 HA THR A 21 9.583 -4.054 -3.529 1.00 0.00 H new ATOM 0 HB THR A 21 9.702 -6.199 -5.666 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.468 -4.490 -7.075 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.101 -4.703 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.511 -5.192 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.197 -3.568 -5.439 1.00 0.00 H new ATOM 370 N THR A 22 8.455 -5.718 -2.069 1.00 0.00 N ATOM 371 CA THR A 22 7.648 -6.644 -1.290 1.00 0.00 C ATOM 372 C THR A 22 6.178 -6.521 -1.660 1.00 0.00 C ATOM 373 O THR A 22 5.491 -5.593 -1.231 1.00 0.00 O ATOM 374 CB THR A 22 7.821 -6.403 0.224 1.00 0.00 C ATOM 375 OG1 THR A 22 9.180 -6.653 0.606 1.00 0.00 O ATOM 376 CG2 THR A 22 6.892 -7.295 1.036 1.00 0.00 C ATOM 0 H THR A 22 8.467 -4.763 -1.710 1.00 0.00 H new ATOM 0 HA THR A 22 7.993 -7.651 -1.523 1.00 0.00 H new ATOM 0 HB THR A 22 7.565 -5.364 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.780 -6.104 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.038 -7.101 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.857 -7.083 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.115 -8.341 0.824 1.00 0.00 H new ATOM 384 N GLU A 23 5.713 -7.457 -2.482 1.00 0.00 N ATOM 385 CA GLU A 23 4.332 -7.484 -2.921 1.00 0.00 C ATOM 386 C GLU A 23 3.418 -7.915 -1.790 1.00 0.00 C ATOM 387 O GLU A 23 3.676 -8.907 -1.109 1.00 0.00 O ATOM 388 CB GLU A 23 4.185 -8.439 -4.101 1.00 0.00 C ATOM 389 CG GLU A 23 2.844 -8.332 -4.804 1.00 0.00 C ATOM 390 CD GLU A 23 2.800 -9.119 -6.100 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.149 -8.547 -7.154 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.415 -10.307 -6.059 1.00 0.00 O ATOM 0 H GLU A 23 6.285 -8.213 -2.858 1.00 0.00 H new ATOM 0 HA GLU A 23 4.046 -6.479 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.980 -8.240 -4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.321 -9.462 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.059 -8.691 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.630 -7.284 -5.012 1.00 0.00 H new ATOM 399 N ILE A 24 2.349 -7.161 -1.597 1.00 0.00 N ATOM 400 CA ILE A 24 1.395 -7.458 -0.550 1.00 0.00 C ATOM 401 C ILE A 24 -0.021 -7.514 -1.094 1.00 0.00 C ATOM 402 O ILE A 24 -0.727 -6.508 -1.106 1.00 0.00 O ATOM 403 CB ILE A 24 1.447 -6.404 0.561 1.00 0.00 C ATOM 404 CG1 ILE A 24 2.886 -6.195 1.032 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.550 -6.813 1.722 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.031 -5.107 2.074 1.00 0.00 C ATOM 0 H ILE A 24 2.123 -6.338 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 24 1.668 -8.432 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 24 1.079 -5.458 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.265 -7.131 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.509 -5.948 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.598 -6.054 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.478 -6.909 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.887 -7.769 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.079 -5.015 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.683 -4.160 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.436 -5.361 2.951 1.00 0.00 H new ATOM 418 N HIS A 25 -0.419 -8.688 -1.559 1.00 0.00 N ATOM 419 CA HIS A 25 -1.763 -8.892 -2.081 1.00 0.00 C ATOM 420 C HIS A 25 -2.696 -9.255 -0.939 1.00 0.00 C ATOM 421 O HIS A 25 -2.641 -10.366 -0.410 1.00 0.00 O ATOM 422 CB HIS A 25 -1.770 -9.996 -3.136 1.00 0.00 C ATOM 423 CG HIS A 25 -1.357 -9.537 -4.500 1.00 0.00 C ATOM 424 ND1 HIS A 25 -1.865 -10.080 -5.662 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.477 -8.585 -4.887 1.00 0.00 C ATOM 426 CE1 HIS A 25 -1.315 -9.483 -6.703 1.00 0.00 C ATOM 427 NE2 HIS A 25 -0.470 -8.571 -6.260 1.00 0.00 N ATOM 0 H HIS A 25 0.173 -9.519 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.104 -7.970 -2.552 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.102 -10.795 -2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.772 -10.422 -3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.111 -7.954 -4.237 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.521 -9.703 -7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.097 -7.955 -6.843 1.00 0.00 H new ATOM 436 N LEU A 26 -3.549 -8.317 -0.560 1.00 0.00 N ATOM 437 CA LEU A 26 -4.471 -8.541 0.546 1.00 0.00 C ATOM 438 C LEU A 26 -5.872 -8.871 0.049 1.00 0.00 C ATOM 439 O LEU A 26 -6.148 -8.826 -1.150 1.00 0.00 O ATOM 440 CB LEU A 26 -4.522 -7.303 1.440 1.00 0.00 C ATOM 441 CG LEU A 26 -3.161 -6.789 1.919 1.00 0.00 C ATOM 442 CD1 LEU A 26 -3.289 -5.374 2.460 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.583 -7.712 2.982 1.00 0.00 C ATOM 0 H LEU A 26 -3.624 -7.399 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.105 -9.394 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.024 -6.503 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.135 -7.529 2.313 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.480 -6.776 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.313 -5.023 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.660 -4.716 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.986 -5.367 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.616 -7.330 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.262 -7.757 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.456 -8.711 2.566 1.00 0.00 H new ATOM 455 N LYS A 27 -6.752 -9.210 0.983 1.00 0.00 N ATOM 456 CA LYS A 27 -8.134 -9.528 0.654 1.00 0.00 C ATOM 457 C LYS A 27 -9.067 -8.560 1.363 1.00 0.00 C ATOM 458 O LYS A 27 -8.679 -7.913 2.335 1.00 0.00 O ATOM 459 CB LYS A 27 -8.473 -10.964 1.053 1.00 0.00 C ATOM 460 CG LYS A 27 -7.374 -11.964 0.731 1.00 0.00 C ATOM 461 CD LYS A 27 -7.763 -13.373 1.146 1.00 0.00 C ATOM 462 CE LYS A 27 -6.662 -14.371 0.825 1.00 0.00 C ATOM 463 NZ LYS A 27 -5.389 -14.037 1.520 1.00 0.00 N ATOM 0 H LYS A 27 -6.531 -9.272 1.977 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.263 -9.433 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.678 -10.995 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.388 -11.267 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.164 -11.944 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.456 -11.674 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.974 -13.394 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.680 -13.664 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.983 -15.371 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.493 -14.391 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.743 -14.851 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.947 -13.216 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.586 -13.810 2.516 1.00 0.00 H new ATOM 477 N GLY A 28 -10.295 -8.461 0.878 1.00 0.00 N ATOM 478 CA GLY A 28 -11.250 -7.554 1.482 1.00 0.00 C ATOM 479 C GLY A 28 -12.226 -6.970 0.480 1.00 0.00 C ATOM 480 O GLY A 28 -12.367 -7.480 -0.632 1.00 0.00 O ATOM 0 H GLY A 28 -10.647 -8.990 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.806 -8.083 2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.712 -6.743 1.973 1.00 0.00 H new ATOM 484 N ASN A 29 -12.901 -5.894 0.877 1.00 0.00 N ATOM 485 CA ASN A 29 -13.870 -5.230 0.012 1.00 0.00 C ATOM 486 C ASN A 29 -14.172 -3.820 0.524 1.00 0.00 C ATOM 487 O ASN A 29 -14.620 -3.652 1.658 1.00 0.00 O ATOM 488 CB ASN A 29 -15.161 -6.049 -0.064 1.00 0.00 C ATOM 489 CG ASN A 29 -16.171 -5.455 -1.027 1.00 0.00 C ATOM 490 OD1 ASN A 29 -15.808 -4.778 -1.988 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.449 -5.710 -0.775 1.00 0.00 N ATOM 0 H ASN A 29 -12.793 -5.463 1.795 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.442 -5.152 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.924 -7.067 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.605 -6.113 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.174 -5.340 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.706 -6.276 0.033 1.00 0.00 H new ATOM 547 N TYR A 34 -13.350 -1.787 5.414 1.00 0.00 N ATOM 548 CA TYR A 34 -12.462 -0.636 5.287 1.00 0.00 C ATOM 549 C TYR A 34 -11.524 -0.798 4.091 1.00 0.00 C ATOM 550 O TYR A 34 -11.703 -1.693 3.265 1.00 0.00 O ATOM 551 CB TYR A 34 -11.642 -0.457 6.573 1.00 0.00 C ATOM 552 CG TYR A 34 -12.478 -0.257 7.822 1.00 0.00 C ATOM 553 CD1 TYR A 34 -13.357 -1.242 8.262 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.385 0.915 8.568 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.119 -1.064 9.401 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.144 1.098 9.708 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.008 0.107 10.120 1.00 0.00 C ATOM 558 OH TYR A 34 -14.765 0.286 11.255 1.00 0.00 O ATOM 0 HA TYR A 34 -13.076 0.250 5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.008 -1.333 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.980 0.400 6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.445 -2.162 7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.708 1.694 8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.798 -1.838 9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.060 2.014 10.274 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.407 1.037 11.772 1.00 0.00 H new ATOM 568 N MET A 35 -10.527 0.079 4.008 1.00 0.00 N ATOM 569 CA MET A 35 -9.555 0.048 2.930 1.00 0.00 C ATOM 570 C MET A 35 -8.169 -0.276 3.462 1.00 0.00 C ATOM 571 O MET A 35 -7.837 0.046 4.600 1.00 0.00 O ATOM 572 CB MET A 35 -9.510 1.404 2.224 1.00 0.00 C ATOM 573 CG MET A 35 -8.161 1.706 1.592 1.00 0.00 C ATOM 574 SD MET A 35 -8.069 3.363 0.887 1.00 0.00 S ATOM 575 CE MET A 35 -9.129 3.183 -0.546 1.00 0.00 C ATOM 0 H MET A 35 -10.374 0.826 4.685 1.00 0.00 H new ATOM 0 HA MET A 35 -9.858 -0.727 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.279 1.430 1.452 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.751 2.188 2.942 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.380 1.593 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.960 0.973 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.489 4.163 -0.858 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.566 2.728 -1.360 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.978 2.548 -0.293 1.00 0.00 H new ATOM 585 N TRP A 36 -7.364 -0.901 2.618 1.00 0.00 N ATOM 586 CA TRP A 36 -6.002 -1.245 2.975 1.00 0.00 C ATOM 587 C TRP A 36 -5.026 -0.316 2.265 1.00 0.00 C ATOM 588 O TRP A 36 -4.718 -0.508 1.089 1.00 0.00 O ATOM 589 CB TRP A 36 -5.700 -2.681 2.585 1.00 0.00 C ATOM 590 CG TRP A 36 -6.164 -3.695 3.581 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.249 -4.518 3.471 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.554 -3.998 4.835 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.350 -5.313 4.587 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.319 -5.013 5.439 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.433 -3.508 5.504 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.996 -5.546 6.684 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.113 -4.036 6.737 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.892 -5.046 7.318 1.00 0.00 C ATOM 0 H TRP A 36 -7.635 -1.181 1.675 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.891 -1.135 4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.169 -2.891 1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.624 -2.790 2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.927 -4.540 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -8.074 -6.012 4.754 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.827 -2.730 5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.595 -6.325 7.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.247 -3.665 7.264 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.615 -5.437 8.286 1.00 0.00 H new ATOM 609 N THR A 37 -4.546 0.692 2.978 1.00 0.00 N ATOM 610 CA THR A 37 -3.611 1.649 2.399 1.00 0.00 C ATOM 611 C THR A 37 -2.635 2.164 3.464 1.00 0.00 C ATOM 612 O THR A 37 -2.679 1.718 4.610 1.00 0.00 O ATOM 613 CB THR A 37 -4.373 2.823 1.762 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.456 3.795 1.248 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.288 3.467 2.783 1.00 0.00 C ATOM 0 H THR A 37 -4.786 0.869 3.953 1.00 0.00 H new ATOM 0 HA THR A 37 -3.038 1.142 1.623 1.00 0.00 H new ATOM 0 HB THR A 37 -4.974 2.438 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.378 4.538 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.822 4.297 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.005 2.730 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.696 3.838 3.620 1.00 0.00 H new ATOM 623 N ARG A 38 -1.760 3.104 3.096 1.00 0.00 N ATOM 624 CA ARG A 38 -0.781 3.644 4.040 1.00 0.00 C ATOM 625 C ARG A 38 -1.390 4.748 4.905 1.00 0.00 C ATOM 626 O ARG A 38 -2.381 5.375 4.529 1.00 0.00 O ATOM 627 CB ARG A 38 0.458 4.155 3.292 1.00 0.00 C ATOM 628 CG ARG A 38 1.531 3.109 3.112 1.00 0.00 C ATOM 629 CD ARG A 38 2.572 3.541 2.092 1.00 0.00 C ATOM 630 NE ARG A 38 2.953 4.944 2.211 1.00 0.00 N ATOM 631 CZ ARG A 38 4.160 5.340 2.615 1.00 0.00 C ATOM 632 NH1 ARG A 38 5.051 4.446 3.021 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.474 6.627 2.618 1.00 0.00 N ATOM 0 H ARG A 38 -1.710 3.503 2.159 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.475 2.837 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.154 4.523 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.876 5.002 3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.017 2.918 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.076 2.172 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.461 2.920 2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.184 3.361 1.089 1.00 0.00 H new ATOM 0 HE ARG A 38 2.263 5.656 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.813 3.454 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.974 4.750 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.791 7.319 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.399 6.926 2.928 1.00 0.00 H new ATOM 647 N VAL A 39 -0.783 4.974 6.070 1.00 0.00 N ATOM 648 CA VAL A 39 -1.260 5.978 7.023 1.00 0.00 C ATOM 649 C VAL A 39 -1.317 7.378 6.420 1.00 0.00 C ATOM 650 O VAL A 39 -0.351 7.848 5.821 1.00 0.00 O ATOM 651 CB VAL A 39 -0.364 6.028 8.276 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.988 6.910 9.347 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.106 4.629 8.809 1.00 0.00 C ATOM 0 H VAL A 39 0.048 4.470 6.379 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.270 5.671 7.294 1.00 0.00 H new ATOM 0 HB VAL A 39 0.594 6.464 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.340 6.932 10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.109 7.922 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.962 6.509 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.528 4.688 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.054 4.160 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.393 4.034 8.044 1.00 0.00 H new ATOM 663 N GLY A 40 -2.456 8.045 6.603 1.00 0.00 N ATOM 664 CA GLY A 40 -2.626 9.394 6.091 1.00 0.00 C ATOM 665 C GLY A 40 -2.892 9.436 4.600 1.00 0.00 C ATOM 666 O GLY A 40 -3.736 10.202 4.135 1.00 0.00 O ATOM 0 H GLY A 40 -3.266 7.672 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.453 9.873 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.730 9.975 6.310 1.00 0.00 H new ATOM 670 N PHE A 41 -2.171 8.613 3.849 1.00 0.00 N ATOM 671 CA PHE A 41 -2.324 8.564 2.402 1.00 0.00 C ATOM 672 C PHE A 41 -3.657 7.945 2.015 1.00 0.00 C ATOM 673 O PHE A 41 -4.003 7.882 0.836 1.00 0.00 O ATOM 674 CB PHE A 41 -1.171 7.779 1.787 1.00 0.00 C ATOM 675 CG PHE A 41 0.166 8.286 2.233 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.694 9.452 1.703 1.00 0.00 C ATOM 677 CD2 PHE A 41 0.884 7.607 3.199 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.918 9.930 2.129 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.109 8.078 3.630 1.00 0.00 C ATOM 680 CZ PHE A 41 2.627 9.241 3.094 1.00 0.00 C ATOM 0 H PHE A 41 -1.473 7.969 4.220 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.306 9.583 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.266 6.727 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.234 7.836 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.143 9.993 0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.483 6.698 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.320 10.840 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.661 7.538 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.585 9.611 3.429 1.00 0.00 H new ATOM 690 N VAL A 42 -4.396 7.477 3.014 1.00 0.00 N ATOM 691 CA VAL A 42 -5.701 6.879 2.780 1.00 0.00 C ATOM 692 C VAL A 42 -6.567 7.776 1.899 1.00 0.00 C ATOM 693 O VAL A 42 -6.838 8.926 2.244 1.00 0.00 O ATOM 694 CB VAL A 42 -6.439 6.614 4.102 1.00 0.00 C ATOM 695 CG1 VAL A 42 -7.712 5.819 3.847 1.00 0.00 C ATOM 696 CG2 VAL A 42 -5.525 5.903 5.087 1.00 0.00 C ATOM 0 H VAL A 42 -4.112 7.501 3.993 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.529 5.931 2.271 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.725 7.568 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.224 5.639 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.366 6.383 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.459 4.865 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.063 5.723 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.204 4.951 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.652 6.524 5.287 1.00 0.00 H new ATOM 706 N GLY A 43 -6.996 7.240 0.761 1.00 0.00 N ATOM 707 CA GLY A 43 -7.823 8.005 -0.155 1.00 0.00 C ATOM 708 C GLY A 43 -7.009 8.663 -1.251 1.00 0.00 C ATOM 709 O GLY A 43 -7.482 8.818 -2.377 1.00 0.00 O ATOM 0 H GLY A 43 -6.786 6.289 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.568 7.348 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.365 8.770 0.401 1.00 0.00 H new ATOM 763 N LEU A 47 0.898 6.636 -2.114 1.00 0.00 N ATOM 764 CA LEU A 47 1.181 6.555 -0.690 1.00 0.00 C ATOM 765 C LEU A 47 2.655 6.847 -0.430 1.00 0.00 C ATOM 766 O LEU A 47 3.000 7.665 0.421 1.00 0.00 O ATOM 767 CB LEU A 47 0.816 5.172 -0.162 1.00 0.00 C ATOM 768 CG LEU A 47 -0.409 4.526 -0.817 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.610 3.112 -0.292 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.655 5.366 -0.582 1.00 0.00 C ATOM 0 HA LEU A 47 0.580 7.300 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.672 4.511 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.638 5.246 0.911 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.233 4.474 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.484 2.668 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.271 2.511 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.760 3.143 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.512 4.887 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.837 5.456 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.511 6.358 -1.010 1.00 0.00 H new ATOM 782 N SER A 48 3.513 6.159 -1.174 1.00 0.00 N ATOM 783 CA SER A 48 4.955 6.328 -1.069 1.00 0.00 C ATOM 784 C SER A 48 5.364 7.793 -1.212 1.00 0.00 C ATOM 785 O SER A 48 4.523 8.667 -1.423 1.00 0.00 O ATOM 786 CB SER A 48 5.638 5.502 -2.153 1.00 0.00 C ATOM 787 OG SER A 48 5.388 6.041 -3.439 1.00 0.00 O ATOM 0 H SER A 48 3.227 5.468 -1.867 1.00 0.00 H new ATOM 0 HA SER A 48 5.265 5.989 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.712 5.473 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.280 4.473 -2.111 1.00 0.00 H new ATOM 0 HG SER A 48 5.838 5.494 -4.116 1.00 0.00 H new ATOM 793 N ASP A 49 6.669 8.051 -1.118 1.00 0.00 N ATOM 794 CA ASP A 49 7.194 9.408 -1.233 1.00 0.00 C ATOM 795 C ASP A 49 8.671 9.392 -1.603 1.00 0.00 C ATOM 796 O ASP A 49 9.031 9.453 -2.778 1.00 0.00 O ATOM 797 CB ASP A 49 7.003 10.176 0.077 1.00 0.00 C ATOM 798 CG ASP A 49 5.571 10.625 0.289 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.205 11.704 -0.221 1.00 0.00 O ATOM 800 OD2 ASP A 49 4.816 9.897 0.966 1.00 0.00 O ATOM 0 H ASP A 49 7.380 7.337 -0.963 1.00 0.00 H new ATOM 0 HA ASP A 49 6.638 9.910 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.309 9.545 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.657 11.048 0.081 1.00 0.00 H new ATOM 805 N GLU A 50 9.524 9.311 -0.586 1.00 0.00 N ATOM 806 CA GLU A 50 10.961 9.296 -0.792 1.00 0.00 C ATOM 807 C GLU A 50 11.610 8.126 -0.057 1.00 0.00 C ATOM 808 O GLU A 50 12.486 7.453 -0.597 1.00 0.00 O ATOM 809 CB GLU A 50 11.556 10.616 -0.306 1.00 0.00 C ATOM 810 CG GLU A 50 11.377 10.856 1.185 1.00 0.00 C ATOM 811 CD GLU A 50 11.979 12.170 1.642 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.172 12.180 2.012 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.257 13.190 1.630 1.00 0.00 O ATOM 0 H GLU A 50 9.239 9.255 0.392 1.00 0.00 H new ATOM 0 HA GLU A 50 11.159 9.174 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.620 10.634 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.094 11.436 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.314 10.845 1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.838 10.038 1.739 1.00 0.00 H new ATOM 820 N ILE A 51 11.170 7.889 1.173 1.00 0.00 N ATOM 821 CA ILE A 51 11.705 6.807 1.991 1.00 0.00 C ATOM 822 C ILE A 51 11.440 5.450 1.351 1.00 0.00 C ATOM 823 O ILE A 51 12.339 4.827 0.790 1.00 0.00 O ATOM 824 CB ILE A 51 11.078 6.818 3.395 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.081 8.235 3.971 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.813 5.857 4.317 1.00 0.00 C ATOM 827 CD1 ILE A 51 12.464 8.778 4.264 1.00 0.00 C ATOM 0 H ILE A 51 10.439 8.436 1.628 1.00 0.00 H new ATOM 0 HA ILE A 51 12.780 6.967 2.068 1.00 0.00 H new ATOM 0 HB ILE A 51 10.043 6.485 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.581 8.902 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.496 8.244 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.355 5.879 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.753 4.847 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.858 6.156 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.381 9.786 4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.961 8.135 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.047 8.804 3.343 1.00 0.00 H new ATOM 839 N LEU A 52 10.198 4.990 1.464 1.00 0.00 N ATOM 840 CA LEU A 52 9.796 3.709 0.895 1.00 0.00 C ATOM 841 C LEU A 52 8.984 3.895 -0.381 1.00 0.00 C ATOM 842 O LEU A 52 7.923 4.515 -0.356 1.00 0.00 O ATOM 843 CB LEU A 52 8.957 2.922 1.906 1.00 0.00 C ATOM 844 CG LEU A 52 9.743 2.003 2.839 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.915 1.653 4.064 1.00 0.00 C ATOM 846 CD2 LEU A 52 10.174 0.743 2.107 1.00 0.00 C ATOM 0 H LEU A 52 9.450 5.488 1.947 1.00 0.00 H new ATOM 0 HA LEU A 52 10.706 3.159 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.392 3.630 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.231 2.321 1.359 1.00 0.00 H new ATOM 0 HG LEU A 52 10.638 2.531 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.491 0.998 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.657 2.565 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.002 1.144 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.733 0.100 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.293 0.212 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.806 1.012 1.261 1.00 0.00 H new ATOM 858 N GLU A 53 9.494 3.378 -1.499 1.00 0.00 N ATOM 859 CA GLU A 53 8.778 3.453 -2.766 1.00 0.00 C ATOM 860 C GLU A 53 7.596 2.494 -2.747 1.00 0.00 C ATOM 861 O GLU A 53 7.555 1.520 -3.498 1.00 0.00 O ATOM 862 CB GLU A 53 9.703 3.109 -3.931 1.00 0.00 C ATOM 863 CG GLU A 53 10.158 4.318 -4.717 1.00 0.00 C ATOM 864 CD GLU A 53 9.338 4.544 -5.972 1.00 0.00 C ATOM 865 OE1 GLU A 53 8.319 5.261 -5.895 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.715 4.002 -7.033 1.00 0.00 O ATOM 0 H GLU A 53 10.396 2.905 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 53 8.417 4.473 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.578 2.585 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.188 2.422 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.096 5.203 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.206 4.195 -4.990 1.00 0.00 H new ATOM 873 N VAL A 54 6.643 2.773 -1.870 1.00 0.00 N ATOM 874 CA VAL A 54 5.465 1.939 -1.731 1.00 0.00 C ATOM 875 C VAL A 54 4.538 2.078 -2.926 1.00 0.00 C ATOM 876 O VAL A 54 3.586 2.859 -2.901 1.00 0.00 O ATOM 877 CB VAL A 54 4.676 2.279 -0.458 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.626 1.213 -0.194 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.615 2.439 0.728 1.00 0.00 C ATOM 0 H VAL A 54 6.666 3.576 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 54 5.825 0.912 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 54 4.164 3.230 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.072 1.464 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.938 1.163 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.113 0.246 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.037 2.680 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.160 1.509 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.322 3.243 0.526 1.00 0.00 H new ATOM 889 N VAL A 55 4.826 1.324 -3.973 1.00 0.00 N ATOM 890 CA VAL A 55 4.002 1.343 -5.164 1.00 0.00 C ATOM 891 C VAL A 55 2.780 0.478 -4.937 1.00 0.00 C ATOM 892 O VAL A 55 2.758 -0.703 -5.287 1.00 0.00 O ATOM 893 CB VAL A 55 4.754 0.835 -6.396 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.913 1.045 -7.645 1.00 0.00 C ATOM 895 CG2 VAL A 55 6.105 1.523 -6.524 1.00 0.00 C ATOM 0 H VAL A 55 5.625 0.692 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 55 3.716 2.378 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 55 4.936 -0.233 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.458 0.680 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.975 0.498 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.703 2.107 -7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.623 1.147 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.958 2.599 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.704 1.317 -5.637 1.00 0.00 H new ATOM 905 N CYS A 56 1.772 1.078 -4.341 1.00 0.00 N ATOM 906 CA CYS A 56 0.543 0.375 -4.021 1.00 0.00 C ATOM 907 C CYS A 56 -0.578 0.729 -4.983 1.00 0.00 C ATOM 908 O CYS A 56 -0.934 1.896 -5.145 1.00 0.00 O ATOM 909 CB CYS A 56 0.111 0.688 -2.590 1.00 0.00 C ATOM 910 SG CYS A 56 -1.535 0.075 -2.164 1.00 0.00 S ATOM 0 H CYS A 56 1.778 2.060 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 56 0.744 -0.692 -4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.837 0.257 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.134 1.768 -2.443 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.809 0.388 -0.932 1.00 0.00 H new ATOM 916 N LYS A 57 -1.129 -0.296 -5.614 1.00 0.00 N ATOM 917 CA LYS A 57 -2.226 -0.120 -6.545 1.00 0.00 C ATOM 918 C LYS A 57 -3.459 -0.837 -6.024 1.00 0.00 C ATOM 919 O LYS A 57 -3.531 -2.068 -6.031 1.00 0.00 O ATOM 920 CB LYS A 57 -1.860 -0.662 -7.922 1.00 0.00 C ATOM 921 CG LYS A 57 -0.462 -0.274 -8.380 1.00 0.00 C ATOM 922 CD LYS A 57 -0.142 -0.848 -9.753 1.00 0.00 C ATOM 923 CE LYS A 57 -0.057 -2.366 -9.720 1.00 0.00 C ATOM 924 NZ LYS A 57 0.256 -2.934 -11.060 1.00 0.00 N ATOM 0 H LYS A 57 -0.830 -1.264 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.434 0.946 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.939 -1.749 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.585 -0.299 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.377 0.812 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.271 -0.631 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.909 -0.542 -10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.803 -0.438 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.710 -2.671 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.003 -2.775 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.305 -3.971 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.489 -2.664 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.171 -2.564 -11.389 1.00 0.00 H new ATOM 938 N TYR A 58 -4.417 -0.060 -5.553 1.00 0.00 N ATOM 939 CA TYR A 58 -5.653 -0.613 -5.026 1.00 0.00 C ATOM 940 C TYR A 58 -6.524 -1.104 -6.180 1.00 0.00 C ATOM 941 O TYR A 58 -7.148 -0.309 -6.883 1.00 0.00 O ATOM 942 CB TYR A 58 -6.393 0.440 -4.187 1.00 0.00 C ATOM 943 CG TYR A 58 -7.535 -0.109 -3.360 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.484 -0.959 -3.921 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.667 0.227 -2.014 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.533 -1.454 -3.177 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.718 -0.268 -1.264 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.647 -1.105 -1.851 1.00 0.00 C ATOM 949 OH TYR A 58 -10.691 -1.596 -1.103 1.00 0.00 O ATOM 0 H TYR A 58 -4.364 0.958 -5.524 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.424 -1.458 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.678 0.924 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.781 1.211 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.396 -1.236 -4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.941 0.880 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.260 -2.111 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.812 -0.001 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.432 -2.452 -0.702 1.00 0.00 H new ATOM 959 N THR A 59 -6.556 -2.421 -6.368 1.00 0.00 N ATOM 960 CA THR A 59 -7.335 -3.023 -7.444 1.00 0.00 C ATOM 961 C THR A 59 -8.659 -3.581 -6.937 1.00 0.00 C ATOM 962 O THR A 59 -8.678 -4.553 -6.183 1.00 0.00 O ATOM 963 CB THR A 59 -6.555 -4.166 -8.120 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.235 -3.727 -8.459 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.273 -4.643 -9.374 1.00 0.00 C ATOM 0 H THR A 59 -6.051 -3.091 -5.788 1.00 0.00 H new ATOM 0 HA THR A 59 -7.531 -2.229 -8.165 1.00 0.00 H new ATOM 0 HB THR A 59 -6.491 -4.997 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.746 -4.461 -8.887 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.704 -5.450 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.266 -5.005 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.364 -3.816 -10.078 1.00 0.00 H new ATOM 973 N PRO A 60 -9.789 -2.977 -7.346 1.00 0.00 N ATOM 974 CA PRO A 60 -11.119 -3.415 -6.946 1.00 0.00 C ATOM 975 C PRO A 60 -11.605 -4.580 -7.802 1.00 0.00 C ATOM 976 O PRO A 60 -12.252 -4.380 -8.831 1.00 0.00 O ATOM 977 CB PRO A 60 -11.987 -2.168 -7.185 1.00 0.00 C ATOM 978 CG PRO A 60 -11.039 -1.091 -7.594 1.00 0.00 C ATOM 979 CD PRO A 60 -9.888 -1.805 -8.212 1.00 0.00 C ATOM 0 HA PRO A 60 -11.150 -3.776 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.731 -2.351 -7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.530 -1.890 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.503 -0.404 -8.302 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.721 -0.498 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.080 -2.075 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.977 -1.206 -8.201 1.00 0.00 H new ATOM 1135 N ILE A 73 -7.772 -6.645 -4.222 1.00 0.00 N ATOM 1136 CA ILE A 73 -6.601 -7.468 -3.973 1.00 0.00 C ATOM 1137 C ILE A 73 -5.555 -6.714 -3.178 1.00 0.00 C ATOM 1138 O ILE A 73 -4.681 -7.309 -2.556 1.00 0.00 O ATOM 1139 CB ILE A 73 -5.986 -7.965 -5.294 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.015 -9.479 -5.319 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -4.566 -7.452 -5.485 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -5.060 -10.119 -4.325 1.00 0.00 C ATOM 0 HA ILE A 73 -6.930 -8.327 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.579 -7.573 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.029 -9.819 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.766 -9.823 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.168 -7.825 -6.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.572 -6.362 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.940 -7.801 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.133 -11.204 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.040 -9.808 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.322 -9.804 -3.315 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.663 -5.405 -3.213 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.732 -4.537 -2.510 1.00 0.00 C ATOM 1156 C TYR A 74 -3.292 -4.924 -2.839 1.00 0.00 C ATOM 1157 O TYR A 74 -2.706 -5.762 -2.160 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.957 -4.637 -1.000 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.411 -4.580 -0.579 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -7.049 -3.364 -0.391 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.144 -5.742 -0.354 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.371 -3.306 0.009 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.464 -5.686 0.044 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.072 -4.467 0.225 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.388 -4.411 0.622 1.00 0.00 O ATOM 0 H TYR A 74 -6.393 -4.910 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.907 -3.511 -2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.524 -5.571 -0.641 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.417 -3.827 -0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.504 -2.447 -0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.672 -6.703 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.852 -2.349 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.018 -6.598 0.213 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.537 -3.597 1.147 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.726 -4.325 -3.884 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.356 -4.631 -4.276 1.00 0.00 C ATOM 1177 C VAL A 75 -0.393 -3.591 -3.727 1.00 0.00 C ATOM 1178 O VAL A 75 -0.358 -2.462 -4.206 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.189 -4.684 -5.810 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.277 -4.855 -6.187 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.026 -5.797 -6.412 1.00 0.00 C ATOM 0 H VAL A 75 -3.191 -3.631 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.130 -5.613 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.542 -3.737 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.372 -4.890 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.853 -4.015 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.657 -5.783 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.889 -5.811 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.713 -6.754 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.078 -5.627 -6.182 1.00 0.00 H new ATOM 1191 N VAL A 76 0.383 -3.968 -2.723 1.00 0.00 N ATOM 1192 CA VAL A 76 1.343 -3.044 -2.133 1.00 0.00 C ATOM 1193 C VAL A 76 2.783 -3.476 -2.398 1.00 0.00 C ATOM 1194 O VAL A 76 3.254 -4.469 -1.845 1.00 0.00 O ATOM 1195 CB VAL A 76 1.141 -2.903 -0.615 1.00 0.00 C ATOM 1196 CG1 VAL A 76 1.955 -1.732 -0.084 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.335 -2.739 -0.278 1.00 0.00 C ATOM 0 H VAL A 76 0.369 -4.897 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 76 1.164 -2.080 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 76 1.493 -3.814 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.804 -1.642 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.012 -1.901 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.633 -0.813 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.453 -2.641 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.723 -1.846 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.887 -3.612 -0.626 1.00 0.00 H new ATOM 1207 N LEU A 77 3.473 -2.722 -3.252 1.00 0.00 N ATOM 1208 CA LEU A 77 4.868 -3.006 -3.575 1.00 0.00 C ATOM 1209 C LEU A 77 5.780 -2.046 -2.832 1.00 0.00 C ATOM 1210 O LEU A 77 5.979 -0.914 -3.259 1.00 0.00 O ATOM 1211 CB LEU A 77 5.114 -2.885 -5.080 1.00 0.00 C ATOM 1212 CG LEU A 77 4.467 -3.981 -5.932 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.751 -3.746 -7.407 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.963 -5.354 -5.503 1.00 0.00 C ATOM 0 H LEU A 77 3.087 -1.909 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 77 5.087 -4.028 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.743 -1.917 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.189 -2.894 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 77 3.388 -3.944 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.284 -4.534 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.345 -2.780 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.828 -3.756 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.492 -6.120 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.045 -5.404 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.707 -5.523 -4.457 1.00 0.00 H new ATOM 1226 N VAL A 78 6.344 -2.502 -1.728 1.00 0.00 N ATOM 1227 CA VAL A 78 7.212 -1.652 -0.928 1.00 0.00 C ATOM 1228 C VAL A 78 8.668 -1.791 -1.358 1.00 0.00 C ATOM 1229 O VAL A 78 9.319 -2.799 -1.078 1.00 0.00 O ATOM 1230 CB VAL A 78 7.084 -1.963 0.575 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.802 -0.685 1.364 1.00 0.00 C ATOM 1232 CG2 VAL A 78 5.997 -2.998 0.823 1.00 0.00 C ATOM 0 H VAL A 78 6.219 -3.447 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 78 6.890 -0.624 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 78 8.031 -2.378 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.715 -0.924 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.619 0.021 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.871 -0.240 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.925 -3.201 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.042 -2.617 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.244 -3.919 0.294 1.00 0.00 H new ATOM 1242 N LYS A 79 9.166 -0.770 -2.053 1.00 0.00 N ATOM 1243 CA LYS A 79 10.545 -0.759 -2.533 1.00 0.00 C ATOM 1244 C LYS A 79 11.384 0.256 -1.757 1.00 0.00 C ATOM 1245 O LYS A 79 11.406 1.436 -2.097 1.00 0.00 O ATOM 1246 CB LYS A 79 10.585 -0.429 -4.026 1.00 0.00 C ATOM 1247 CG LYS A 79 10.439 -1.647 -4.924 1.00 0.00 C ATOM 1248 CD LYS A 79 10.611 -1.289 -6.393 1.00 0.00 C ATOM 1249 CE LYS A 79 9.395 -0.562 -6.951 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.284 0.829 -6.432 1.00 0.00 N ATOM 0 H LYS A 79 8.631 0.064 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 79 10.965 -1.752 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.787 0.278 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.527 0.069 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.179 -2.396 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.457 -2.096 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.494 -0.661 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.786 -2.198 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.456 -0.538 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.493 -1.117 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.931 1.453 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.624 0.848 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.220 1.159 -6.119 1.00 0.00 H new ATOM 1264 N PRO A 80 12.085 -0.188 -0.701 1.00 0.00 N ATOM 1265 CA PRO A 80 12.922 0.691 0.119 1.00 0.00 C ATOM 1266 C PRO A 80 13.867 1.552 -0.711 1.00 0.00 C ATOM 1267 O PRO A 80 14.868 1.067 -1.239 1.00 0.00 O ATOM 1268 CB PRO A 80 13.716 -0.272 1.011 1.00 0.00 C ATOM 1269 CG PRO A 80 13.449 -1.640 0.476 1.00 0.00 C ATOM 1270 CD PRO A 80 12.120 -1.572 -0.214 1.00 0.00 C ATOM 0 HA PRO A 80 12.315 1.402 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.781 -0.042 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.400 -0.191 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.232 -1.945 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.432 -2.375 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.049 -2.291 -1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.297 -1.783 0.469 1.00 0.00 H new ATOM 1278 N ARG A 81 13.536 2.833 -0.820 1.00 0.00 N ATOM 1279 CA ARG A 81 14.347 3.778 -1.575 1.00 0.00 C ATOM 1280 C ARG A 81 15.618 4.137 -0.811 1.00 0.00 C ATOM 1281 O ARG A 81 16.678 4.341 -1.403 1.00 0.00 O ATOM 1282 CB ARG A 81 13.547 5.048 -1.853 1.00 0.00 C ATOM 1283 CG ARG A 81 13.190 5.242 -3.313 1.00 0.00 C ATOM 1284 CD ARG A 81 12.319 6.472 -3.504 1.00 0.00 C ATOM 1285 NE ARG A 81 12.037 6.729 -4.914 1.00 0.00 N ATOM 1286 CZ ARG A 81 11.465 7.844 -5.361 1.00 0.00 C ATOM 1287 NH1 ARG A 81 11.116 8.802 -4.511 1.00 0.00 N ATOM 1288 NH2 ARG A 81 11.242 8.002 -6.658 1.00 0.00 N ATOM 0 H ARG A 81 12.706 3.242 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 81 14.626 3.307 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.630 5.024 -1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.121 5.909 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.101 5.342 -3.903 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.666 4.361 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.381 6.339 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.816 7.339 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 81 12.293 6.013 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.286 8.684 -3.512 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.678 9.656 -4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.509 7.268 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.803 8.857 -7.000 1.00 0.00 H new ATOM 1302 N LYS A 82 15.497 4.209 0.511 1.00 0.00 N ATOM 1303 CA LYS A 82 16.623 4.555 1.371 1.00 0.00 C ATOM 1304 C LYS A 82 17.114 3.339 2.151 1.00 0.00 C ATOM 1305 O LYS A 82 16.340 2.432 2.459 1.00 0.00 O ATOM 1306 CB LYS A 82 16.215 5.668 2.339 1.00 0.00 C ATOM 1307 CG LYS A 82 16.297 7.060 1.749 1.00 0.00 C ATOM 1308 CD LYS A 82 15.192 7.280 0.749 1.00 0.00 C ATOM 1309 CE LYS A 82 14.984 8.757 0.459 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.215 9.394 -0.087 1.00 0.00 N ATOM 0 H LYS A 82 14.626 4.031 1.012 1.00 0.00 H new ATOM 0 HA LYS A 82 17.440 4.905 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.194 5.487 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.854 5.620 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.228 7.802 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.264 7.199 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.430 6.757 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.266 6.850 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.167 8.876 -0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.686 9.268 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.993 10.356 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.941 9.440 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.572 8.831 -0.886 1.00 0.00 H new ATOM 1324 N ARG A 83 18.406 3.325 2.462 1.00 0.00 N ATOM 1325 CA ARG A 83 19.002 2.226 3.212 1.00 0.00 C ATOM 1326 C ARG A 83 19.033 2.541 4.705 1.00 0.00 C ATOM 1327 O ARG A 83 19.491 3.608 5.114 1.00 0.00 O ATOM 1328 CB ARG A 83 20.417 1.960 2.705 1.00 0.00 C ATOM 1329 CG ARG A 83 20.529 2.005 1.191 1.00 0.00 C ATOM 1330 CD ARG A 83 21.954 1.762 0.729 1.00 0.00 C ATOM 1331 NE ARG A 83 22.894 2.704 1.331 1.00 0.00 N ATOM 1332 CZ ARG A 83 24.208 2.663 1.130 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.735 1.729 0.351 1.00 0.00 N ATOM 1334 NH2 ARG A 83 24.997 3.558 1.712 1.00 0.00 N ATOM 0 H ARG A 83 19.061 4.064 2.206 1.00 0.00 H new ATOM 0 HA ARG A 83 18.392 1.335 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.095 2.698 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.745 0.982 3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.871 1.254 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 83 20.189 2.975 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.249 0.744 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.002 1.846 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 83 22.522 3.434 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.132 1.039 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.743 1.701 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 24.595 4.277 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 83 26.005 3.526 1.558 1.00 0.00 H new ATOM 1348 N GLY A 84 18.544 1.606 5.513 1.00 0.00 N ATOM 1349 CA GLY A 84 18.525 1.803 6.951 1.00 0.00 C ATOM 1350 C GLY A 84 17.351 1.110 7.616 1.00 0.00 C ATOM 1351 O GLY A 84 17.243 -0.115 7.579 1.00 0.00 O ATOM 0 H GLY A 84 18.160 0.715 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.455 1.427 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.483 2.870 7.168 1.00 0.00 H new ATOM 1355 N HIS A 85 16.471 1.897 8.227 1.00 0.00 N ATOM 1356 CA HIS A 85 15.299 1.351 8.902 1.00 0.00 C ATOM 1357 C HIS A 85 14.035 2.087 8.475 1.00 0.00 C ATOM 1358 O HIS A 85 13.911 3.297 8.669 1.00 0.00 O ATOM 1359 CB HIS A 85 15.465 1.437 10.417 1.00 0.00 C ATOM 1360 CG HIS A 85 14.300 0.889 11.182 1.00 0.00 C ATOM 1361 ND1 HIS A 85 13.324 1.686 11.742 1.00 0.00 N ATOM 1362 CD2 HIS A 85 13.958 -0.387 11.481 1.00 0.00 C ATOM 1363 CE1 HIS A 85 12.433 0.925 12.353 1.00 0.00 C ATOM 1364 NE2 HIS A 85 12.794 -0.336 12.209 1.00 0.00 N ATOM 0 H HIS A 85 16.547 2.913 8.269 1.00 0.00 H new ATOM 0 HA HIS A 85 15.204 0.303 8.616 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.366 0.895 10.706 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.616 2.479 10.699 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.499 -1.278 11.200 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.558 1.276 12.880 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.290 -1.142 12.578 1.00 0.00 H new ATOM 1373 N HIS A 86 13.099 1.343 7.900 1.00 0.00 N ATOM 1374 CA HIS A 86 11.838 1.915 7.438 1.00 0.00 C ATOM 1375 C HIS A 86 10.658 1.082 7.926 1.00 0.00 C ATOM 1376 O HIS A 86 10.841 0.090 8.632 1.00 0.00 O ATOM 1377 CB HIS A 86 11.823 1.999 5.911 1.00 0.00 C ATOM 1378 CG HIS A 86 12.978 2.763 5.343 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.618 3.778 6.025 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.617 2.651 4.155 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.599 4.255 5.280 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.619 3.589 4.142 1.00 0.00 N ATOM 0 H HIS A 86 13.188 0.339 7.741 1.00 0.00 H new ATOM 0 HA HIS A 86 11.747 2.920 7.850 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.828 0.990 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.894 2.469 5.590 1.00 0.00 H new ATOM 0 HD1 HIS A 86 13.372 4.108 6.958 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.382 1.954 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.271 5.055 5.556 1.00 0.00 H new ATOM 1391 N THR A 87 9.449 1.487 7.547 1.00 0.00 N ATOM 1392 CA THR A 87 8.248 0.769 7.959 1.00 0.00 C ATOM 1393 C THR A 87 7.073 1.051 7.025 1.00 0.00 C ATOM 1394 O THR A 87 7.030 2.084 6.356 1.00 0.00 O ATOM 1395 CB THR A 87 7.841 1.142 9.397 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.934 0.914 10.294 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.638 0.326 9.841 1.00 0.00 C ATOM 0 H THR A 87 9.276 2.303 6.959 1.00 0.00 H new ATOM 0 HA THR A 87 8.491 -0.293 7.913 1.00 0.00 H new ATOM 0 HB THR A 87 7.575 2.199 9.414 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.887 -0.002 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.366 0.604 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.799 0.523 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.886 -0.735 9.808 1.00 0.00 H new ATOM 1405 N LEU A 88 6.119 0.124 6.994 1.00 0.00 N ATOM 1406 CA LEU A 88 4.937 0.258 6.153 1.00 0.00 C ATOM 1407 C LEU A 88 3.676 -0.063 6.945 1.00 0.00 C ATOM 1408 O LEU A 88 3.191 -1.194 6.928 1.00 0.00 O ATOM 1409 CB LEU A 88 5.032 -0.673 4.949 1.00 0.00 C ATOM 1410 CG LEU A 88 3.805 -0.669 4.037 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.775 0.595 3.197 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.796 -1.900 3.150 1.00 0.00 C ATOM 0 H LEU A 88 6.144 -0.733 7.546 1.00 0.00 H new ATOM 0 HA LEU A 88 4.885 1.290 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.906 -0.394 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.199 -1.689 5.306 1.00 0.00 H new ATOM 0 HG LEU A 88 2.911 -0.691 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.896 0.583 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.734 1.466 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.674 0.645 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.915 -1.879 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.695 -1.911 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.772 -2.796 3.771 1.00 0.00 H new ATOM 1424 N GLU A 89 3.144 0.934 7.636 1.00 0.00 N ATOM 1425 CA GLU A 89 1.943 0.741 8.437 1.00 0.00 C ATOM 1426 C GLU A 89 0.688 0.890 7.588 1.00 0.00 C ATOM 1427 O GLU A 89 0.131 1.979 7.464 1.00 0.00 O ATOM 1428 CB GLU A 89 1.900 1.726 9.603 1.00 0.00 C ATOM 1429 CG GLU A 89 3.054 2.712 9.608 1.00 0.00 C ATOM 1430 CD GLU A 89 2.934 3.751 10.706 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.140 3.395 11.886 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.640 4.922 10.387 1.00 0.00 O ATOM 0 H GLU A 89 3.522 1.881 7.659 1.00 0.00 H new ATOM 0 HA GLU A 89 1.975 -0.273 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.961 2.278 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.906 1.168 10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.990 2.168 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.101 3.215 8.642 1.00 0.00 H new ATOM 1439 N LEU A 90 0.259 -0.212 6.995 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.939 -0.217 6.166 1.00 0.00 C ATOM 1441 C LEU A 90 -2.177 -0.367 7.037 1.00 0.00 C ATOM 1442 O LEU A 90 -2.487 -1.460 7.503 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.879 -1.350 5.142 1.00 0.00 C ATOM 1444 CG LEU A 90 0.154 -1.164 4.032 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.243 -2.418 3.177 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.196 0.047 3.177 1.00 0.00 C ATOM 0 H LEU A 90 0.722 -1.117 7.071 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.993 0.731 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.664 -2.281 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.863 -1.460 4.687 1.00 0.00 H new ATOM 0 HG LEU A 90 1.128 -0.990 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.983 -2.270 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.539 -3.263 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.729 -2.621 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.550 0.165 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.178 -0.097 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.211 0.941 3.801 1.00 0.00 H new ATOM 1458 N VAL A 91 -2.882 0.736 7.251 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.073 0.727 8.091 1.00 0.00 C ATOM 1460 C VAL A 91 -5.314 0.296 7.317 1.00 0.00 C ATOM 1461 O VAL A 91 -5.449 0.576 6.122 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.355 2.119 8.701 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.734 1.992 10.168 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.163 3.047 8.532 1.00 0.00 C ATOM 0 H VAL A 91 -2.651 1.647 6.855 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.867 0.009 8.884 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.196 2.557 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.929 2.982 10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.630 1.378 10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.916 1.525 10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.393 4.018 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.295 2.619 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.946 3.171 7.471 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.209 -0.401 8.014 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.469 -0.842 7.434 1.00 0.00 C ATOM 1476 C TYR A 92 -8.539 0.186 7.783 1.00 0.00 C ATOM 1477 O TYR A 92 -9.364 -0.031 8.670 1.00 0.00 O ATOM 1478 CB TYR A 92 -7.853 -2.224 7.973 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.004 -2.876 7.241 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.030 -2.931 5.853 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.065 -3.441 7.939 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.078 -3.529 5.181 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.117 -4.043 7.274 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.119 -4.083 5.895 1.00 0.00 C ATOM 1485 OH TYR A 92 -12.164 -4.681 5.230 1.00 0.00 O ATOM 0 H TYR A 92 -6.080 -0.673 8.989 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.373 -0.925 6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.983 -2.879 7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.113 -2.131 9.027 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.216 -2.499 5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.068 -3.409 9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.082 -3.562 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.933 -4.480 7.831 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.867 -4.019 5.063 1.00 0.00 H new ATOM 1495 N THR A 93 -8.505 1.315 7.080 1.00 0.00 N ATOM 1496 CA THR A 93 -9.421 2.418 7.350 1.00 0.00 C ATOM 1497 C THR A 93 -10.346 2.742 6.184 1.00 0.00 C ATOM 1498 O THR A 93 -10.027 2.480 5.027 1.00 0.00 O ATOM 1499 CB THR A 93 -8.627 3.688 7.658 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.519 4.778 7.909 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.716 4.026 6.487 1.00 0.00 C ATOM 0 H THR A 93 -7.851 1.490 6.317 1.00 0.00 H new ATOM 0 HA THR A 93 -10.029 2.094 8.194 1.00 0.00 H new ATOM 0 HB THR A 93 -8.019 3.517 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.264 4.469 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.153 4.932 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.023 3.202 6.315 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.318 4.187 5.592 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.486 3.350 6.507 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.456 3.760 5.500 1.00 0.00 C ATOM 1511 C ARG A 94 -12.183 5.203 5.079 1.00 0.00 C ATOM 1512 O ARG A 94 -12.497 6.135 5.819 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.883 3.643 6.042 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.421 2.222 6.050 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.784 2.146 6.717 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.795 2.903 5.984 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.073 2.973 6.348 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.494 2.332 7.431 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -18.929 3.684 5.629 1.00 0.00 N ATOM 0 H ARG A 94 -11.759 3.569 7.465 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.358 3.102 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.909 4.037 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -14.543 4.268 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.495 1.854 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.722 1.570 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.094 1.104 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.711 2.529 7.735 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.505 3.407 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.837 1.784 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.474 2.387 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.608 4.178 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.909 3.737 5.908 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.579 5.410 3.894 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.257 6.748 3.388 1.00 0.00 C ATOM 1535 C PRO A 95 -12.454 7.693 3.414 1.00 0.00 C ATOM 1536 O PRO A 95 -12.313 8.882 3.699 1.00 0.00 O ATOM 1537 CB PRO A 95 -10.805 6.496 1.941 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.177 5.082 1.642 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.163 4.364 2.952 1.00 0.00 C ATOM 0 HA PRO A 95 -10.501 7.234 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.295 7.184 1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.731 6.649 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.162 5.028 1.178 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.471 4.633 0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.849 3.517 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.173 3.974 3.190 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.633 7.157 3.115 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.852 7.941 3.097 1.00 0.00 C ATOM 1549 C PHE A 96 -15.389 8.173 4.509 1.00 0.00 C ATOM 1550 O PHE A 96 -16.525 8.614 4.683 1.00 0.00 O ATOM 1551 CB PHE A 96 -15.892 7.218 2.251 1.00 0.00 C ATOM 1552 CG PHE A 96 -15.526 7.126 0.797 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -14.709 6.105 0.339 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -15.997 8.061 -0.111 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -14.369 6.016 -0.997 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -15.659 7.979 -1.449 1.00 0.00 C ATOM 1557 CZ PHE A 96 -14.844 6.955 -1.892 1.00 0.00 C ATOM 0 H PHE A 96 -13.765 6.173 2.881 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.634 8.918 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.034 6.212 2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.847 7.735 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.333 5.370 1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.635 8.863 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.733 5.214 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -16.031 8.714 -2.147 1.00 0.00 H new ATOM 0 HZ PHE A 96 -14.579 6.889 -2.937 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.565 7.880 5.510 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.959 8.053 6.907 1.00 0.00 C ATOM 1569 C GLU A 97 -13.766 8.440 7.774 1.00 0.00 C ATOM 1570 O GLU A 97 -13.892 8.577 8.991 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.582 6.763 7.445 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.968 6.474 6.893 1.00 0.00 C ATOM 1573 CD GLU A 97 -18.008 7.465 7.379 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.587 7.236 8.462 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.244 8.471 6.677 1.00 0.00 O ATOM 0 H GLU A 97 -13.619 7.521 5.381 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.693 8.858 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.925 5.927 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.640 6.824 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.933 6.495 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.268 5.467 7.183 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.609 8.617 7.145 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.414 8.975 7.886 1.00 0.00 C ATOM 1584 C GLY A 98 -10.811 7.782 8.590 1.00 0.00 C ATOM 1585 O GLY A 98 -11.339 6.674 8.510 1.00 0.00 O ATOM 0 H GLY A 98 -12.478 8.519 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.679 9.405 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.658 9.744 8.619 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.703 8.006 9.282 1.00 0.00 N ATOM 1590 CA ILE A 99 -9.024 6.934 9.988 1.00 0.00 C ATOM 1591 C ILE A 99 -9.247 7.020 11.492 1.00 0.00 C ATOM 1592 O ILE A 99 -9.542 8.087 12.030 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.517 6.949 9.698 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.265 7.332 8.236 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.916 5.587 10.013 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.820 7.675 7.941 1.00 0.00 C ATOM 0 H ILE A 99 -9.257 8.919 9.368 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.451 5.999 9.625 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.037 7.694 10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.572 6.506 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.892 8.186 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.846 5.604 9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.077 5.353 11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.393 4.827 9.395 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.716 7.936 6.888 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.514 8.521 8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.189 6.815 8.166 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.100 5.882 12.162 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.286 5.805 13.602 1.00 0.00 C ATOM 1610 C LYS A 100 -8.220 4.914 14.237 1.00 0.00 C ATOM 1611 O LYS A 100 -7.564 4.132 13.548 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.683 5.267 13.916 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.803 6.152 13.387 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.151 5.450 13.444 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.338 4.503 12.270 1.00 0.00 C ATOM 1616 NZ LYS A 100 -14.587 3.703 12.394 1.00 0.00 N ATOM 0 H LYS A 100 -8.851 4.995 11.724 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.187 6.806 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.785 4.270 13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.791 5.164 14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.847 7.071 13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.585 6.438 12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.233 4.894 14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.949 6.193 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.364 5.075 11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.482 3.831 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.677 3.070 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.552 3.137 13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.407 4.342 12.429 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.037 5.021 15.563 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.046 4.226 16.292 1.00 0.00 C ATOM 1632 C PRO A 101 -7.457 2.765 16.414 1.00 0.00 C ATOM 1633 O PRO A 101 -6.621 1.864 16.341 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.008 4.887 17.671 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.357 5.501 17.831 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.790 5.921 16.454 1.00 0.00 C ATOM 0 HA PRO A 101 -6.081 4.210 15.785 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.809 4.157 18.455 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.221 5.639 17.729 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.061 4.788 18.260 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.318 6.357 18.505 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.866 5.809 16.321 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.552 6.967 16.261 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.753 2.539 16.599 1.00 0.00 N ATOM 1645 CA GLU A 102 -9.284 1.188 16.732 1.00 0.00 C ATOM 1646 C GLU A 102 -9.128 0.407 15.430 1.00 0.00 C ATOM 1647 O GLU A 102 -9.059 -0.822 15.439 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.752 1.234 17.139 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.581 2.125 16.244 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.036 2.192 16.664 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.379 3.077 17.475 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -13.832 1.360 16.181 1.00 0.00 O ATOM 0 H GLU A 102 -9.456 3.276 16.660 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.714 0.677 17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.162 0.224 17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.828 1.588 18.167 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.160 3.130 16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.520 1.760 15.219 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.075 1.128 14.313 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.927 0.498 13.004 1.00 0.00 C ATOM 1661 C ASN A 103 -7.653 -0.339 12.937 1.00 0.00 C ATOM 1662 O ASN A 103 -6.594 0.084 13.400 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.911 1.557 11.899 1.00 0.00 C ATOM 1664 CG ASN A 103 -10.210 2.336 11.817 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -10.221 3.502 11.424 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.315 1.696 12.182 1.00 0.00 N ATOM 0 H ASN A 103 -9.132 2.146 14.288 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.781 -0.162 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.088 2.249 12.076 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.721 1.074 10.941 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.217 2.172 12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.262 0.729 12.502 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.768 -1.531 12.356 1.00 0.00 N ATOM 1674 CA GLU A 104 -6.642 -2.433 12.216 1.00 0.00 C ATOM 1675 C GLU A 104 -5.571 -1.841 11.306 1.00 0.00 C ATOM 1676 O GLU A 104 -5.680 -0.696 10.870 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.131 -3.758 11.650 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.529 -4.757 12.721 1.00 0.00 C ATOM 1679 CD GLU A 104 -8.748 -4.314 13.508 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.877 -4.648 13.092 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -8.572 -3.633 14.540 1.00 0.00 O ATOM 0 H GLU A 104 -8.642 -1.892 11.973 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.196 -2.590 13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.986 -3.574 10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.346 -4.193 11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.732 -5.721 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.693 -4.903 13.405 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.536 -2.626 11.026 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.449 -2.180 10.163 1.00 0.00 C ATOM 1690 C ARG A 105 -2.620 -3.359 9.672 1.00 0.00 C ATOM 1691 O ARG A 105 -3.085 -4.496 9.650 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.537 -1.199 10.901 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.890 -1.796 12.135 1.00 0.00 C ATOM 1694 CD ARG A 105 -2.670 -1.422 13.379 1.00 0.00 C ATOM 1695 NE ARG A 105 -3.696 -2.410 13.702 1.00 0.00 N ATOM 1696 CZ ARG A 105 -4.256 -2.526 14.902 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -3.891 -1.718 15.889 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -5.182 -3.451 15.117 1.00 0.00 N ATOM 0 H ARG A 105 -4.427 -3.575 11.385 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.899 -1.680 9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -1.758 -0.856 10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -3.116 -0.322 11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.845 -2.881 12.040 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.863 -1.441 12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.984 -1.324 14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.138 -0.448 13.234 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.000 -3.047 12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.179 -1.006 15.728 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.322 -1.809 16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.465 -4.074 14.361 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.611 -3.539 16.038 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.398 -3.056 9.256 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.452 -4.054 8.782 1.00 0.00 C ATOM 1714 C TYR A 106 0.933 -3.425 8.731 1.00 0.00 C ATOM 1715 O TYR A 106 1.454 -3.106 7.663 1.00 0.00 O ATOM 1716 CB TYR A 106 -0.867 -4.602 7.411 1.00 0.00 C ATOM 1717 CG TYR A 106 0.045 -5.682 6.870 1.00 0.00 C ATOM 1718 CD1 TYR A 106 -0.109 -7.006 7.265 1.00 0.00 C ATOM 1719 CD2 TYR A 106 1.053 -5.383 5.963 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.716 -7.999 6.773 1.00 0.00 C ATOM 1721 CE2 TYR A 106 1.883 -6.371 5.465 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.710 -7.676 5.874 1.00 0.00 C ATOM 1723 OH TYR A 106 2.534 -8.663 5.382 1.00 0.00 O ATOM 0 H TYR A 106 -1.034 -2.103 9.238 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.439 -4.901 9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.879 -5.000 7.483 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.898 -3.778 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.887 -7.263 7.969 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.191 -4.361 5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.583 -9.023 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.662 -6.122 4.760 1.00 0.00 H new ATOM 0 HH TYR A 106 3.180 -8.269 4.759 1.00 0.00 H new ATOM 1733 N THR A 107 1.503 -3.218 9.914 1.00 0.00 N ATOM 1734 CA THR A 107 2.815 -2.604 10.041 1.00 0.00 C ATOM 1735 C THR A 107 3.913 -3.532 9.538 1.00 0.00 C ATOM 1736 O THR A 107 4.264 -4.510 10.196 1.00 0.00 O ATOM 1737 CB THR A 107 3.105 -2.220 11.502 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.891 -1.825 12.153 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.108 -1.081 11.573 1.00 0.00 C ATOM 0 H THR A 107 1.071 -3.470 10.803 1.00 0.00 H new ATOM 0 HA THR A 107 2.807 -1.703 9.428 1.00 0.00 H new ATOM 0 HB THR A 107 3.526 -3.090 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.082 -1.583 13.083 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.297 -0.827 12.616 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.041 -1.387 11.099 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.707 -0.210 11.055 1.00 0.00 H new ATOM 1747 N LEU A 108 4.447 -3.215 8.367 1.00 0.00 N ATOM 1748 CA LEU A 108 5.507 -4.011 7.766 1.00 0.00 C ATOM 1749 C LEU A 108 6.842 -3.286 7.856 1.00 0.00 C ATOM 1750 O LEU A 108 7.168 -2.459 7.004 1.00 0.00 O ATOM 1751 CB LEU A 108 5.177 -4.319 6.301 1.00 0.00 C ATOM 1752 CG LEU A 108 6.328 -4.909 5.477 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.909 -6.135 6.162 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.857 -5.252 4.074 1.00 0.00 C ATOM 0 H LEU A 108 4.162 -2.408 7.812 1.00 0.00 H new ATOM 0 HA LEU A 108 5.583 -4.948 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.339 -5.016 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.843 -3.399 5.821 1.00 0.00 H new ATOM 0 HG LEU A 108 7.114 -4.158 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.724 -6.537 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.288 -5.857 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.133 -6.892 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.687 -5.669 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.051 -5.983 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.495 -4.350 3.581 1.00 0.00 H new ATOM 1766 N HIS A 109 7.610 -3.590 8.896 1.00 0.00 N ATOM 1767 CA HIS A 109 8.909 -2.963 9.072 1.00 0.00 C ATOM 1768 C HIS A 109 9.923 -3.580 8.127 1.00 0.00 C ATOM 1769 O HIS A 109 9.796 -4.739 7.731 1.00 0.00 O ATOM 1770 CB HIS A 109 9.379 -3.068 10.512 1.00 0.00 C ATOM 1771 CG HIS A 109 8.583 -2.225 11.456 1.00 0.00 C ATOM 1772 ND1 HIS A 109 9.129 -1.194 12.190 1.00 0.00 N ATOM 1773 CD2 HIS A 109 7.268 -2.261 11.780 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.186 -0.631 12.925 1.00 0.00 C ATOM 1775 NE2 HIS A 109 7.048 -1.258 12.693 1.00 0.00 N ATOM 0 H HIS A 109 7.357 -4.260 9.622 1.00 0.00 H new ATOM 0 HA HIS A 109 8.811 -1.904 8.833 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.324 -4.109 10.830 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.427 -2.773 10.567 1.00 0.00 H new ATOM 0 HD1 HIS A 109 10.108 -0.910 12.169 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.531 -2.949 11.393 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.323 0.200 13.600 1.00 0.00 H new ATOM 1784 N LEU A 110 10.935 -2.804 7.784 1.00 0.00 N ATOM 1785 CA LEU A 110 11.959 -3.248 6.854 1.00 0.00 C ATOM 1786 C LEU A 110 13.321 -2.655 7.191 1.00 0.00 C ATOM 1787 O LEU A 110 13.601 -1.502 6.868 1.00 0.00 O ATOM 1788 CB LEU A 110 11.568 -2.850 5.427 1.00 0.00 C ATOM 1789 CG LEU A 110 10.334 -3.561 4.864 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.964 -2.986 3.505 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.574 -5.060 4.762 1.00 0.00 C ATOM 0 H LEU A 110 11.071 -1.857 8.138 1.00 0.00 H new ATOM 0 HA LEU A 110 12.034 -4.333 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.390 -1.775 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.413 -3.048 4.768 1.00 0.00 H new ATOM 0 HG LEU A 110 9.502 -3.396 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.085 -3.502 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.745 -1.923 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.796 -3.120 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.684 -5.544 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.420 -5.249 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.790 -5.462 5.752 1.00 0.00 H new ATOM 1803 N ASN A 111 14.155 -3.445 7.856 1.00 0.00 N ATOM 1804 CA ASN A 111 15.502 -3.010 8.205 1.00 0.00 C ATOM 1805 C ASN A 111 16.377 -3.036 6.960 1.00 0.00 C ATOM 1806 O ASN A 111 17.285 -3.860 6.837 1.00 0.00 O ATOM 1807 CB ASN A 111 16.103 -3.913 9.285 1.00 0.00 C ATOM 1808 CG ASN A 111 17.461 -3.429 9.753 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.720 -2.226 9.807 1.00 0.00 O ATOM 1810 ND2 ASN A 111 18.342 -4.366 10.087 1.00 0.00 N ATOM 0 H ASN A 111 13.923 -4.389 8.164 1.00 0.00 H new ATOM 0 HA ASN A 111 15.453 -1.995 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.423 -3.959 10.136 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.196 -4.927 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 111 19.275 -4.100 10.403 1.00 0.00 H new ATOM 0 HD22 ASN A 111 18.086 -5.351 10.027 1.00 0.00 H new ATOM 1817 N VAL A 112 16.082 -2.132 6.035 1.00 0.00 N ATOM 1818 CA VAL A 112 16.809 -2.046 4.776 1.00 0.00 C ATOM 1819 C VAL A 112 18.317 -2.015 5.004 1.00 0.00 C ATOM 1820 O VAL A 112 18.832 -1.139 5.699 1.00 0.00 O ATOM 1821 CB VAL A 112 16.397 -0.793 3.979 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.718 -0.969 2.506 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.918 -0.490 4.175 1.00 0.00 C ATOM 0 H VAL A 112 15.337 -1.442 6.135 1.00 0.00 H new ATOM 0 HA VAL A 112 16.553 -2.938 4.204 1.00 0.00 H new ATOM 0 HB VAL A 112 16.969 0.055 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.420 -0.074 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.789 -1.129 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.176 -1.830 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.650 0.398 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.324 -1.337 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.720 -0.315 5.232 1.00 0.00 H new ATOM 1833 N LYS A 113 19.019 -2.977 4.414 1.00 0.00 N ATOM 1834 CA LYS A 113 20.466 -3.063 4.551 1.00 0.00 C ATOM 1835 C LYS A 113 21.167 -2.240 3.474 1.00 0.00 C ATOM 1836 O LYS A 113 21.488 -1.064 3.745 1.00 0.00 O ATOM 1837 CB LYS A 113 20.911 -4.523 4.467 1.00 0.00 C ATOM 1838 CG LYS A 113 20.222 -5.426 5.479 1.00 0.00 C ATOM 1839 CD LYS A 113 20.558 -5.034 6.911 1.00 0.00 C ATOM 1840 CE LYS A 113 22.021 -5.289 7.236 1.00 0.00 C ATOM 1841 NZ LYS A 113 22.361 -4.879 8.627 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.388 -2.778 2.369 1.00 0.00 O ATOM 0 H LYS A 113 18.607 -3.709 3.835 1.00 0.00 H new ATOM 0 HA LYS A 113 20.743 -2.657 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.713 -4.898 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 113 21.989 -4.575 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.143 -5.378 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.521 -6.460 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 113 20.330 -3.979 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 113 19.929 -5.598 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 113 22.243 -6.348 7.105 1.00 0.00 H new ATOM 0 HE3 LYS A 113 22.650 -4.743 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 23.367 -5.069 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.174 -3.863 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.780 -5.418 9.300 1.00 0.00 H new