USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl 139:sc= -1.13 (180deg=-4.79!) USER MOD Set 1.2: A 86 CYS SG : rot -57:sc= 0.211 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.975 K(o=-0.98,f=-0.12) USER MOD Set 2.2: A 69 MET CE :methyl 180:sc=-0.00916 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Set 3.2: A 74 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.35) USER MOD Single : A 28 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 30 THR OG1 : rot 144:sc= -0.453 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 33 SER OG : rot 23:sc= -1.82! USER MOD Single : A 35 THR OG1 : rot 83:sc= -0.572 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -0.345 (180deg=-1.92!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.849 K(o=-0.85,f=-0.29) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.982 X(o=-0.98,f=-0.84) USER MOD Single : A 67 CYS SG : rot 117:sc= 0.661! USER MOD Single : A 68 TYR OH : rot 180:sc= -0.739 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.0311 (180deg=-0.27) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -166:sc= 0.715 USER MOD Single : A 94 ASN : amide:sc= -2.62! C(o=-2.6!,f=-11!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 99 SER OG : rot -63:sc= 0.595 USER MOD Single : A 102 SER OG : rot 120:sc= 0.796 USER MOD Single : A 107 TYR OH : rot -177:sc= -0.109 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -162:sc= 0.401 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.898 13.095 -0.592 1.00 0.00 N ATOM 215 CA PRO A 18 1.214 12.534 -1.760 1.00 0.00 C ATOM 216 C PRO A 18 -0.103 11.858 -1.392 1.00 0.00 C ATOM 217 O PRO A 18 -0.525 11.889 -0.236 1.00 0.00 O ATOM 218 CB PRO A 18 2.212 11.505 -2.296 1.00 0.00 C ATOM 219 CG PRO A 18 3.031 11.120 -1.112 1.00 0.00 C ATOM 220 CD PRO A 18 3.124 12.352 -0.255 1.00 0.00 C ATOM 0 HA PRO A 18 0.945 13.304 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.701 10.642 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.832 11.929 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.566 10.299 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.021 10.780 -1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.164 12.102 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.020 12.931 -0.480 1.00 0.00 H new ATOM 228 N ASP A 19 -0.746 11.248 -2.381 1.00 0.00 N ATOM 229 CA ASP A 19 -2.014 10.562 -2.160 1.00 0.00 C ATOM 230 C ASP A 19 -1.784 9.158 -1.610 1.00 0.00 C ATOM 231 O ASP A 19 -0.725 8.565 -1.819 1.00 0.00 O ATOM 232 CB ASP A 19 -2.812 10.489 -3.463 1.00 0.00 C ATOM 233 CG ASP A 19 -3.625 11.744 -3.716 1.00 0.00 C ATOM 234 OD1 ASP A 19 -3.285 12.796 -3.137 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.601 11.672 -4.491 1.00 0.00 O ATOM 0 H ASP A 19 -0.410 11.214 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.584 11.131 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.128 10.329 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.480 9.628 -3.429 1.00 0.00 H new ATOM 240 N ILE A 20 -2.782 8.633 -0.907 1.00 0.00 N ATOM 241 CA ILE A 20 -2.688 7.299 -0.328 1.00 0.00 C ATOM 242 C ILE A 20 -2.777 6.224 -1.405 1.00 0.00 C ATOM 243 O ILE A 20 -3.815 6.026 -2.036 1.00 0.00 O ATOM 244 CB ILE A 20 -3.796 7.058 0.714 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.661 8.048 1.873 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.742 5.626 1.224 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.910 8.164 2.718 1.00 0.00 C ATOM 0 H ILE A 20 -3.664 9.111 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.717 7.237 0.164 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.763 7.216 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.830 7.740 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.410 9.031 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.531 5.472 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.883 4.937 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.773 5.441 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.741 8.883 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.740 8.502 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.151 7.191 3.147 1.00 0.00 H new ATOM 259 N PRO A 21 -1.662 5.510 -1.622 1.00 0.00 N ATOM 260 CA PRO A 21 -1.589 4.440 -2.622 1.00 0.00 C ATOM 261 C PRO A 21 -2.412 3.219 -2.226 1.00 0.00 C ATOM 262 O PRO A 21 -2.438 2.829 -1.059 1.00 0.00 O ATOM 263 CB PRO A 21 -0.099 4.092 -2.660 1.00 0.00 C ATOM 264 CG PRO A 21 0.418 4.491 -1.321 1.00 0.00 C ATOM 265 CD PRO A 21 -0.387 5.691 -0.907 1.00 0.00 C ATOM 0 HA PRO A 21 -1.992 4.753 -3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.054 3.028 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.413 4.630 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.307 3.679 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.480 4.731 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.533 5.724 0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.104 6.622 -1.191 1.00 0.00 H new ATOM 273 N ASN A 22 -3.082 2.620 -3.205 1.00 0.00 N ATOM 274 CA ASN A 22 -3.906 1.442 -2.957 1.00 0.00 C ATOM 275 C ASN A 22 -3.132 0.393 -2.165 1.00 0.00 C ATOM 276 O ASN A 22 -1.901 0.365 -2.162 1.00 0.00 O ATOM 277 CB ASN A 22 -4.389 0.845 -4.280 1.00 0.00 C ATOM 278 CG ASN A 22 -3.360 0.982 -5.386 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.425 1.904 -6.199 1.00 0.00 O ATOM 280 ND2 ASN A 22 -2.402 0.063 -5.420 1.00 0.00 N ATOM 0 H ASN A 22 -3.071 2.930 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.770 1.751 -2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.625 -0.209 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.312 1.339 -4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.681 0.104 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.387 -0.684 -4.726 1.00 0.00 H new ATOM 287 N PRO A 23 -3.869 -0.491 -1.477 1.00 0.00 N ATOM 288 CA PRO A 23 -3.273 -1.559 -0.668 1.00 0.00 C ATOM 289 C PRO A 23 -2.608 -2.631 -1.525 1.00 0.00 C ATOM 290 O PRO A 23 -3.048 -2.936 -2.633 1.00 0.00 O ATOM 291 CB PRO A 23 -4.470 -2.143 0.086 1.00 0.00 C ATOM 292 CG PRO A 23 -5.647 -1.832 -0.773 1.00 0.00 C ATOM 293 CD PRO A 23 -5.341 -0.517 -1.435 1.00 0.00 C ATOM 0 HA PRO A 23 -2.483 -1.185 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.360 -3.217 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.572 -1.695 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.806 -2.615 -1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.558 -1.767 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.773 -0.460 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.742 0.322 -0.866 1.00 0.00 H new ATOM 301 N PRO A 24 -1.522 -3.219 -1.000 1.00 0.00 N ATOM 302 CA PRO A 24 -0.774 -4.268 -1.700 1.00 0.00 C ATOM 303 C PRO A 24 -1.556 -5.574 -1.794 1.00 0.00 C ATOM 304 O PRO A 24 -2.322 -5.916 -0.893 1.00 0.00 O ATOM 305 CB PRO A 24 0.473 -4.453 -0.832 1.00 0.00 C ATOM 306 CG PRO A 24 0.057 -4.010 0.528 1.00 0.00 C ATOM 307 CD PRO A 24 -0.942 -2.906 0.316 1.00 0.00 C ATOM 0 HA PRO A 24 -0.555 -3.993 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.801 -5.492 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.307 -3.858 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.385 -4.834 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.913 -3.657 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.702 -2.896 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.465 -1.926 0.322 1.00 0.00 H new ATOM 315 N ARG A 25 -1.358 -6.299 -2.890 1.00 0.00 N ATOM 316 CA ARG A 25 -2.046 -7.567 -3.101 1.00 0.00 C ATOM 317 C ARG A 25 -1.083 -8.740 -2.947 1.00 0.00 C ATOM 318 O ARG A 25 0.132 -8.553 -2.869 1.00 0.00 O ATOM 319 CB ARG A 25 -2.686 -7.599 -4.490 1.00 0.00 C ATOM 320 CG ARG A 25 -1.714 -7.289 -5.617 1.00 0.00 C ATOM 321 CD ARG A 25 -2.296 -7.657 -6.972 1.00 0.00 C ATOM 322 NE ARG A 25 -1.324 -7.490 -8.049 1.00 0.00 N ATOM 323 CZ ARG A 25 -0.908 -6.306 -8.486 1.00 0.00 C ATOM 324 NH1 ARG A 25 -1.376 -5.192 -7.940 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.021 -6.235 -9.470 1.00 0.00 N ATOM 0 H ARG A 25 -0.727 -6.030 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.827 -7.658 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.121 -8.584 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.505 -6.880 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.465 -6.228 -5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.785 -7.836 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.639 -8.691 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.169 -7.036 -7.172 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.944 -8.328 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.057 -5.242 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.055 -4.285 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.342 -7.090 -9.892 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.298 -5.326 -9.805 1.00 0.00 H new ATOM 339 N ILE A 26 -1.633 -9.949 -2.903 1.00 0.00 N ATOM 340 CA ILE A 26 -0.823 -11.152 -2.758 1.00 0.00 C ATOM 341 C ILE A 26 -0.558 -11.803 -4.111 1.00 0.00 C ATOM 342 O ILE A 26 -1.489 -12.106 -4.858 1.00 0.00 O ATOM 343 CB ILE A 26 -1.499 -12.178 -1.830 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.196 -11.853 -0.366 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.038 -13.587 -2.173 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.231 -12.154 0.036 1.00 0.00 C ATOM 0 H ILE A 26 -2.636 -10.121 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 26 0.124 -10.843 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.578 -12.124 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.401 -10.798 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.873 -12.422 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.525 -14.301 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.302 -13.815 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.043 -13.656 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.375 -11.899 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.435 -13.215 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.914 -11.565 -0.577 1.00 0.00 H new ATOM 358 N ALA A 27 0.716 -12.016 -4.420 1.00 0.00 N ATOM 359 CA ALA A 27 1.103 -12.635 -5.682 1.00 0.00 C ATOM 360 C ALA A 27 1.618 -14.054 -5.463 1.00 0.00 C ATOM 361 O ALA A 27 1.661 -14.859 -6.392 1.00 0.00 O ATOM 362 CB ALA A 27 2.158 -11.791 -6.382 1.00 0.00 C ATOM 0 H ALA A 27 1.498 -11.769 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 27 0.219 -12.692 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.438 -12.265 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.756 -10.798 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.037 -11.705 -5.744 1.00 0.00 H new ATOM 368 N ASN A 28 2.007 -14.353 -4.228 1.00 0.00 N ATOM 369 CA ASN A 28 2.520 -15.675 -3.887 1.00 0.00 C ATOM 370 C ASN A 28 2.783 -15.786 -2.388 1.00 0.00 C ATOM 371 O ASN A 28 3.659 -15.110 -1.850 1.00 0.00 O ATOM 372 CB ASN A 28 3.806 -15.962 -4.665 1.00 0.00 C ATOM 373 CG ASN A 28 4.151 -17.438 -4.687 1.00 0.00 C ATOM 374 OD1 ASN A 28 5.190 -17.852 -4.171 1.00 0.00 O ATOM 375 ND2 ASN A 28 3.279 -18.241 -5.286 1.00 0.00 N ATOM 0 H ASN A 28 1.977 -13.698 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 28 1.766 -16.412 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.697 -15.602 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.630 -15.406 -4.218 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.457 -19.244 -5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.431 -17.854 -5.700 1.00 0.00 H new ATOM 382 N ARG A 29 2.020 -16.646 -1.721 1.00 0.00 N ATOM 383 CA ARG A 29 2.170 -16.846 -0.285 1.00 0.00 C ATOM 384 C ARG A 29 2.408 -18.318 0.037 1.00 0.00 C ATOM 385 O ARG A 29 1.728 -19.199 -0.492 1.00 0.00 O ATOM 386 CB ARG A 29 0.927 -16.346 0.454 1.00 0.00 C ATOM 387 CG ARG A 29 -0.342 -17.099 0.088 1.00 0.00 C ATOM 388 CD ARG A 29 -1.487 -16.748 1.027 1.00 0.00 C ATOM 389 NE ARG A 29 -2.574 -17.720 0.950 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.768 -17.532 1.500 1.00 0.00 C ATOM 391 NH1 ARG A 29 -4.027 -16.414 2.164 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.707 -18.463 1.387 1.00 0.00 N ATOM 0 H ARG A 29 1.292 -17.215 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 29 3.037 -16.274 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.094 -16.432 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.787 -15.287 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.625 -16.861 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.154 -18.172 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.115 -16.700 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.868 -15.757 0.780 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.407 -18.591 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.308 -15.696 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.945 -16.272 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.512 -19.325 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.624 -18.317 1.810 1.00 0.00 H new ATOM 406 N THR A 30 3.379 -18.579 0.906 1.00 0.00 N ATOM 407 CA THR A 30 3.709 -19.944 1.297 1.00 0.00 C ATOM 408 C THR A 30 3.494 -20.155 2.792 1.00 0.00 C ATOM 409 O THR A 30 3.036 -19.255 3.497 1.00 0.00 O ATOM 410 CB THR A 30 5.167 -20.292 0.945 1.00 0.00 C ATOM 411 OG1 THR A 30 6.024 -19.989 2.052 1.00 0.00 O ATOM 412 CG2 THR A 30 5.626 -19.523 -0.284 1.00 0.00 C ATOM 0 H THR A 30 3.951 -17.863 1.353 1.00 0.00 H new ATOM 0 HA THR A 30 3.042 -20.602 0.741 1.00 0.00 H new ATOM 0 HB THR A 30 5.220 -21.359 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.736 -20.660 2.108 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.659 -19.786 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.990 -19.779 -1.132 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.558 -18.453 -0.090 1.00 0.00 H new ATOM 420 N LYS A 31 3.829 -21.348 3.270 1.00 0.00 N ATOM 421 CA LYS A 31 3.675 -21.678 4.682 1.00 0.00 C ATOM 422 C LYS A 31 4.729 -20.967 5.524 1.00 0.00 C ATOM 423 O LYS A 31 4.551 -20.777 6.727 1.00 0.00 O ATOM 424 CB LYS A 31 3.778 -23.191 4.888 1.00 0.00 C ATOM 425 CG LYS A 31 2.845 -23.991 3.995 1.00 0.00 C ATOM 426 CD LYS A 31 3.282 -25.442 3.890 1.00 0.00 C ATOM 427 CE LYS A 31 3.094 -26.178 5.208 1.00 0.00 C ATOM 428 NZ LYS A 31 3.702 -27.537 5.177 1.00 0.00 N ATOM 0 H LYS A 31 4.209 -22.103 2.700 1.00 0.00 H new ATOM 0 HA LYS A 31 2.690 -21.340 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.805 -23.506 4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.558 -23.423 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.831 -23.943 4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.820 -23.545 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.708 -25.940 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.330 -25.487 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.542 -25.598 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.030 -26.261 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.552 -28.005 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.257 -28.099 4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.722 -27.457 4.992 1.00 0.00 H new ATOM 442 N ASN A 32 5.826 -20.575 4.884 1.00 0.00 N ATOM 443 CA ASN A 32 6.909 -19.884 5.576 1.00 0.00 C ATOM 444 C ASN A 32 7.394 -18.686 4.766 1.00 0.00 C ATOM 445 O ASN A 32 8.589 -18.392 4.727 1.00 0.00 O ATOM 446 CB ASN A 32 8.072 -20.844 5.834 1.00 0.00 C ATOM 447 CG ASN A 32 7.608 -22.182 6.377 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.088 -23.018 5.637 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.794 -22.390 7.675 1.00 0.00 N ATOM 0 H ASN A 32 5.989 -20.724 3.888 1.00 0.00 H new ATOM 0 HA ASN A 32 6.526 -19.524 6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.621 -21.002 4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.765 -20.389 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.502 -23.271 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.229 -21.669 8.250 1.00 0.00 H new ATOM 456 N SER A 33 6.458 -17.997 4.120 1.00 0.00 N ATOM 457 CA SER A 33 6.790 -16.832 3.308 1.00 0.00 C ATOM 458 C SER A 33 5.525 -16.139 2.810 1.00 0.00 C ATOM 459 O SER A 33 4.440 -16.723 2.814 1.00 0.00 O ATOM 460 CB SER A 33 7.661 -17.244 2.120 1.00 0.00 C ATOM 461 OG SER A 33 9.008 -17.433 2.518 1.00 0.00 O ATOM 0 H SER A 33 5.464 -18.225 4.143 1.00 0.00 H new ATOM 0 HA SER A 33 7.346 -16.131 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.275 -18.165 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.611 -16.479 1.345 1.00 0.00 H new ATOM 0 HG SER A 33 9.042 -17.624 3.479 1.00 0.00 H new ATOM 467 N LEU A 34 5.672 -14.891 2.381 1.00 0.00 N ATOM 468 CA LEU A 34 4.543 -14.116 1.878 1.00 0.00 C ATOM 469 C LEU A 34 5.010 -13.044 0.899 1.00 0.00 C ATOM 470 O LEU A 34 5.797 -12.165 1.253 1.00 0.00 O ATOM 471 CB LEU A 34 3.787 -13.468 3.039 1.00 0.00 C ATOM 472 CG LEU A 34 2.636 -14.284 3.629 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.260 -13.759 5.006 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.431 -14.257 2.699 1.00 0.00 C ATOM 0 H LEU A 34 6.562 -14.393 2.371 1.00 0.00 H new ATOM 0 HA LEU A 34 3.874 -14.796 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.499 -13.253 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.391 -12.511 2.699 1.00 0.00 H new ATOM 0 HG LEU A 34 2.966 -15.318 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.439 -14.352 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.121 -13.831 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.950 -12.717 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.622 -14.843 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.100 -13.227 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.707 -14.681 1.734 1.00 0.00 H new ATOM 486 N THR A 35 4.519 -13.120 -0.334 1.00 0.00 N ATOM 487 CA THR A 35 4.885 -12.156 -1.364 1.00 0.00 C ATOM 488 C THR A 35 3.767 -11.147 -1.594 1.00 0.00 C ATOM 489 O THR A 35 2.620 -11.521 -1.844 1.00 0.00 O ATOM 490 CB THR A 35 5.213 -12.855 -2.696 1.00 0.00 C ATOM 491 OG1 THR A 35 6.182 -13.888 -2.482 1.00 0.00 O ATOM 492 CG2 THR A 35 5.744 -11.858 -3.714 1.00 0.00 C ATOM 0 H THR A 35 3.866 -13.840 -0.644 1.00 0.00 H new ATOM 0 HA THR A 35 5.773 -11.634 -1.008 1.00 0.00 H new ATOM 0 HB THR A 35 4.295 -13.294 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.731 -14.700 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.969 -12.375 -4.647 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.993 -11.090 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.652 -11.393 -3.329 1.00 0.00 H new ATOM 500 N LEU A 36 4.106 -9.865 -1.510 1.00 0.00 N ATOM 501 CA LEU A 36 3.130 -8.800 -1.710 1.00 0.00 C ATOM 502 C LEU A 36 3.567 -7.865 -2.833 1.00 0.00 C ATOM 503 O LEU A 36 4.738 -7.498 -2.926 1.00 0.00 O ATOM 504 CB LEU A 36 2.937 -8.008 -0.416 1.00 0.00 C ATOM 505 CG LEU A 36 2.469 -8.809 0.799 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.937 -8.149 2.086 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.954 -8.953 0.791 1.00 0.00 C ATOM 0 H LEU A 36 5.050 -9.538 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 36 2.182 -9.258 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.881 -7.525 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.213 -7.215 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 36 2.909 -9.805 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.594 -8.733 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.026 -8.099 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.527 -7.141 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.638 -9.526 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.494 -7.965 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.643 -9.471 -0.116 1.00 0.00 H new ATOM 519 N GLN A 37 2.618 -7.482 -3.681 1.00 0.00 N ATOM 520 CA GLN A 37 2.906 -6.587 -4.796 1.00 0.00 C ATOM 521 C GLN A 37 1.980 -5.375 -4.775 1.00 0.00 C ATOM 522 O GLN A 37 0.796 -5.492 -4.460 1.00 0.00 O ATOM 523 CB GLN A 37 2.761 -7.331 -6.124 1.00 0.00 C ATOM 524 CG GLN A 37 3.845 -8.370 -6.361 1.00 0.00 C ATOM 525 CD GLN A 37 4.009 -8.719 -7.828 1.00 0.00 C ATOM 526 OE1 GLN A 37 3.283 -9.557 -8.363 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.966 -8.076 -8.486 1.00 0.00 N ATOM 0 H GLN A 37 1.644 -7.777 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 37 3.933 -6.238 -4.693 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.788 -7.821 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.778 -6.608 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.792 -7.996 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.605 -9.274 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.544 -7.389 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.123 -8.269 -9.475 1.00 0.00 H new ATOM 536 N TRP A 38 2.528 -4.213 -5.111 1.00 0.00 N ATOM 537 CA TRP A 38 1.751 -2.979 -5.130 1.00 0.00 C ATOM 538 C TRP A 38 2.223 -2.056 -6.248 1.00 0.00 C ATOM 539 O TRP A 38 3.202 -2.346 -6.935 1.00 0.00 O ATOM 540 CB TRP A 38 1.857 -2.264 -3.782 1.00 0.00 C ATOM 541 CG TRP A 38 3.270 -1.979 -3.371 1.00 0.00 C ATOM 542 CD1 TRP A 38 3.988 -0.848 -3.635 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.136 -2.841 -2.624 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.248 -0.955 -3.097 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.363 -2.167 -2.471 1.00 0.00 C ATOM 546 CE3 TRP A 38 3.993 -4.115 -2.067 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.439 -2.727 -1.787 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.061 -4.669 -1.389 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.271 -3.976 -1.252 1.00 0.00 C ATOM 0 H TRP A 38 3.507 -4.099 -5.374 1.00 0.00 H new ATOM 0 HA TRP A 38 0.708 -3.238 -5.314 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.304 -1.326 -3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.379 -2.875 -3.016 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.620 0.005 -4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.979 -0.246 -3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.064 -4.657 -2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.373 -2.195 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.962 -5.654 -0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.087 -4.436 -0.714 1.00 0.00 H new ATOM 560 N LYS A 39 1.521 -0.941 -6.425 1.00 0.00 N ATOM 561 CA LYS A 39 1.869 0.026 -7.458 1.00 0.00 C ATOM 562 C LYS A 39 2.240 1.372 -6.842 1.00 0.00 C ATOM 563 O LYS A 39 2.148 1.555 -5.628 1.00 0.00 O ATOM 564 CB LYS A 39 0.703 0.204 -8.433 1.00 0.00 C ATOM 565 CG LYS A 39 0.457 -1.009 -9.314 1.00 0.00 C ATOM 566 CD LYS A 39 1.348 -0.994 -10.545 1.00 0.00 C ATOM 567 CE LYS A 39 0.769 -0.114 -11.642 1.00 0.00 C ATOM 568 NZ LYS A 39 -0.302 -0.812 -12.406 1.00 0.00 N ATOM 0 H LYS A 39 0.707 -0.685 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 39 2.734 -0.356 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.203 0.422 -7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.899 1.069 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.641 -1.919 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.589 -1.031 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.340 -0.633 -10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.470 -2.010 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.365 0.798 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.564 0.187 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.671 -0.179 -13.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.089 -1.669 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.073 -1.077 -11.760 1.00 0.00 H new ATOM 582 N ALA A 40 2.657 2.309 -7.686 1.00 0.00 N ATOM 583 CA ALA A 40 3.037 3.638 -7.224 1.00 0.00 C ATOM 584 C ALA A 40 1.900 4.635 -7.420 1.00 0.00 C ATOM 585 O ALA A 40 1.271 4.695 -8.477 1.00 0.00 O ATOM 586 CB ALA A 40 4.288 4.112 -7.950 1.00 0.00 C ATOM 0 H ALA A 40 2.740 2.173 -8.693 1.00 0.00 H new ATOM 0 HA ALA A 40 3.250 3.576 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.560 5.106 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.107 3.420 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.094 4.150 -9.022 1.00 0.00 H new ATOM 592 N PRO A 41 1.626 5.435 -6.379 1.00 0.00 N ATOM 593 CA PRO A 41 0.562 6.443 -6.414 1.00 0.00 C ATOM 594 C PRO A 41 0.894 7.604 -7.346 1.00 0.00 C ATOM 595 O PRO A 41 1.990 7.672 -7.902 1.00 0.00 O ATOM 596 CB PRO A 41 0.485 6.927 -4.964 1.00 0.00 C ATOM 597 CG PRO A 41 1.839 6.661 -4.403 1.00 0.00 C ATOM 598 CD PRO A 41 2.335 5.418 -5.089 1.00 0.00 C ATOM 0 HA PRO A 41 -0.375 6.034 -6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.237 7.987 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.286 6.392 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.509 7.501 -4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.793 6.519 -3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.416 5.438 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.102 4.522 -4.514 1.00 0.00 H new ATOM 606 N SER A 42 -0.060 8.515 -7.511 1.00 0.00 N ATOM 607 CA SER A 42 0.130 9.672 -8.378 1.00 0.00 C ATOM 608 C SER A 42 0.914 10.767 -7.660 1.00 0.00 C ATOM 609 O SER A 42 0.473 11.291 -6.637 1.00 0.00 O ATOM 610 CB SER A 42 -1.222 10.217 -8.840 1.00 0.00 C ATOM 611 OG SER A 42 -1.071 11.456 -9.511 1.00 0.00 O ATOM 0 H SER A 42 -0.972 8.474 -7.056 1.00 0.00 H new ATOM 0 HA SER A 42 0.702 9.352 -9.249 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.700 9.497 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.880 10.344 -7.980 1.00 0.00 H new ATOM 0 HG SER A 42 -1.950 11.782 -9.797 1.00 0.00 H new ATOM 617 N ASP A 43 2.078 11.106 -8.203 1.00 0.00 N ATOM 618 CA ASP A 43 2.924 12.138 -7.616 1.00 0.00 C ATOM 619 C ASP A 43 2.352 13.527 -7.885 1.00 0.00 C ATOM 620 O ASP A 43 2.745 14.196 -8.839 1.00 0.00 O ATOM 621 CB ASP A 43 4.345 12.041 -8.173 1.00 0.00 C ATOM 622 CG ASP A 43 4.366 11.883 -9.681 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.382 12.290 -10.333 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.365 11.352 -10.208 1.00 0.00 O ATOM 0 H ASP A 43 2.457 10.681 -9.049 1.00 0.00 H new ATOM 0 HA ASP A 43 2.954 11.979 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.902 12.936 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.855 11.194 -7.715 1.00 0.00 H new ATOM 661 N LYS A 47 8.466 14.189 -6.235 1.00 0.00 N ATOM 662 CA LYS A 47 8.707 12.773 -6.489 1.00 0.00 C ATOM 663 C LYS A 47 8.747 11.985 -5.184 1.00 0.00 C ATOM 664 O LYS A 47 9.273 12.461 -4.177 1.00 0.00 O ATOM 665 CB LYS A 47 10.021 12.587 -7.250 1.00 0.00 C ATOM 666 CG LYS A 47 10.517 11.151 -7.266 1.00 0.00 C ATOM 667 CD LYS A 47 11.742 10.994 -8.151 1.00 0.00 C ATOM 668 CE LYS A 47 11.357 10.825 -9.612 1.00 0.00 C ATOM 669 NZ LYS A 47 11.185 12.137 -10.296 1.00 0.00 N ATOM 0 HA LYS A 47 7.885 12.394 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.888 12.928 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.785 13.221 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.758 10.837 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.723 10.495 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.385 11.867 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.320 10.130 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.125 10.246 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.430 10.256 -9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.554 12.074 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.175 12.384 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.706 12.871 -9.775 1.00 0.00 H new ATOM 683 N ILE A 48 8.191 10.779 -5.209 1.00 0.00 N ATOM 684 CA ILE A 48 8.166 9.925 -4.028 1.00 0.00 C ATOM 685 C ILE A 48 9.539 9.319 -3.759 1.00 0.00 C ATOM 686 O ILE A 48 10.037 8.513 -4.544 1.00 0.00 O ATOM 687 CB ILE A 48 7.137 8.789 -4.176 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.735 9.365 -4.388 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.164 7.886 -2.952 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.807 8.437 -5.141 1.00 0.00 C ATOM 0 H ILE A 48 7.752 10.371 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 48 7.879 10.557 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 48 7.401 8.193 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.296 9.596 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.816 10.305 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.431 7.088 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.158 7.452 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.922 8.470 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.832 8.911 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.224 8.225 -6.126 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.695 7.505 -4.586 1.00 0.00 H new ATOM 702 N GLN A 49 10.145 9.712 -2.643 1.00 0.00 N ATOM 703 CA GLN A 49 11.461 9.206 -2.270 1.00 0.00 C ATOM 704 C GLN A 49 11.491 7.682 -2.313 1.00 0.00 C ATOM 705 O GLN A 49 12.179 7.089 -3.143 1.00 0.00 O ATOM 706 CB GLN A 49 11.840 9.695 -0.871 1.00 0.00 C ATOM 707 CG GLN A 49 11.947 11.208 -0.764 1.00 0.00 C ATOM 708 CD GLN A 49 12.439 11.664 0.596 1.00 0.00 C ATOM 709 OE1 GLN A 49 11.721 11.571 1.592 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.670 12.160 0.644 1.00 0.00 N ATOM 0 H GLN A 49 9.746 10.379 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 49 12.186 9.586 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.096 9.340 -0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.793 9.250 -0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.626 11.576 -1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.971 11.652 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.230 12.218 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.056 12.483 1.531 1.00 0.00 H new ATOM 719 N ASN A 50 10.740 7.054 -1.414 1.00 0.00 N ATOM 720 CA ASN A 50 10.681 5.598 -1.350 1.00 0.00 C ATOM 721 C ASN A 50 9.395 5.135 -0.673 1.00 0.00 C ATOM 722 O ASN A 50 8.671 5.933 -0.078 1.00 0.00 O ATOM 723 CB ASN A 50 11.894 5.051 -0.594 1.00 0.00 C ATOM 724 CG ASN A 50 12.360 5.986 0.505 1.00 0.00 C ATOM 725 OD1 ASN A 50 13.550 6.278 0.625 1.00 0.00 O ATOM 726 ND2 ASN A 50 11.421 6.461 1.316 1.00 0.00 N ATOM 0 H ASN A 50 10.164 7.530 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 50 10.692 5.213 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.643 4.083 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.711 4.884 -1.296 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.675 7.094 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.446 6.193 1.180 1.00 0.00 H new ATOM 733 N PHE A 51 9.116 3.839 -0.768 1.00 0.00 N ATOM 734 CA PHE A 51 7.917 3.268 -0.166 1.00 0.00 C ATOM 735 C PHE A 51 8.200 2.779 1.251 1.00 0.00 C ATOM 736 O PHE A 51 9.278 2.257 1.536 1.00 0.00 O ATOM 737 CB PHE A 51 7.391 2.114 -1.021 1.00 0.00 C ATOM 738 CG PHE A 51 7.113 2.501 -2.445 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.956 3.187 -2.777 1.00 0.00 C ATOM 740 CD2 PHE A 51 8.008 2.179 -3.452 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.697 3.544 -4.087 1.00 0.00 C ATOM 742 CE2 PHE A 51 7.755 2.533 -4.764 1.00 0.00 C ATOM 743 CZ PHE A 51 6.598 3.217 -5.081 1.00 0.00 C ATOM 0 H PHE A 51 9.704 3.164 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 51 7.158 4.049 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.119 1.303 -1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.476 1.728 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.248 3.446 -2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.915 1.645 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.791 4.078 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.461 2.275 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.398 3.496 -6.105 1.00 0.00 H new ATOM 753 N VAL A 52 7.224 2.952 2.137 1.00 0.00 N ATOM 754 CA VAL A 52 7.367 2.529 3.525 1.00 0.00 C ATOM 755 C VAL A 52 6.309 1.495 3.895 1.00 0.00 C ATOM 756 O VAL A 52 5.143 1.832 4.104 1.00 0.00 O ATOM 757 CB VAL A 52 7.262 3.724 4.490 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.456 3.268 5.928 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.275 4.797 4.122 1.00 0.00 C ATOM 0 H VAL A 52 6.326 3.382 1.918 1.00 0.00 H new ATOM 0 HA VAL A 52 8.357 2.082 3.620 1.00 0.00 H new ATOM 0 HB VAL A 52 6.264 4.153 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.378 4.126 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.688 2.538 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.440 2.813 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.186 5.634 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.281 4.383 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.084 5.145 3.107 1.00 0.00 H new ATOM 769 N LEU A 53 6.724 0.236 3.977 1.00 0.00 N ATOM 770 CA LEU A 53 5.812 -0.849 4.323 1.00 0.00 C ATOM 771 C LEU A 53 5.906 -1.187 5.807 1.00 0.00 C ATOM 772 O LEU A 53 6.983 -1.125 6.400 1.00 0.00 O ATOM 773 CB LEU A 53 6.122 -2.090 3.485 1.00 0.00 C ATOM 774 CG LEU A 53 5.238 -3.311 3.741 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.808 -3.036 3.303 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.793 -4.532 3.021 1.00 0.00 C ATOM 0 H LEU A 53 7.686 -0.059 3.809 1.00 0.00 H new ATOM 0 HA LEU A 53 4.796 -0.518 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.041 -1.822 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.159 -2.374 3.663 1.00 0.00 H new ATOM 0 HG LEU A 53 5.235 -3.515 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.194 -3.916 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.412 -2.189 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.792 -2.805 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.151 -5.391 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.826 -4.338 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.799 -4.742 3.383 1.00 0.00 H new ATOM 788 N GLU A 54 4.772 -1.545 6.401 1.00 0.00 N ATOM 789 CA GLU A 54 4.729 -1.895 7.816 1.00 0.00 C ATOM 790 C GLU A 54 3.813 -3.092 8.053 1.00 0.00 C ATOM 791 O GLU A 54 2.885 -3.339 7.283 1.00 0.00 O ATOM 792 CB GLU A 54 4.250 -0.700 8.645 1.00 0.00 C ATOM 793 CG GLU A 54 5.304 0.381 8.818 1.00 0.00 C ATOM 794 CD GLU A 54 5.264 1.417 7.711 1.00 0.00 C ATOM 795 OE1 GLU A 54 4.837 1.070 6.590 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.659 2.574 7.966 1.00 0.00 O ATOM 0 H GLU A 54 3.872 -1.600 5.925 1.00 0.00 H new ATOM 0 HA GLU A 54 5.738 -2.164 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.371 -0.266 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.938 -1.052 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.158 0.875 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.291 -0.080 8.844 1.00 0.00 H new ATOM 803 N TRP A 55 4.080 -3.831 9.124 1.00 0.00 N ATOM 804 CA TRP A 55 3.281 -5.002 9.463 1.00 0.00 C ATOM 805 C TRP A 55 3.383 -5.319 10.951 1.00 0.00 C ATOM 806 O TRP A 55 4.256 -4.800 11.647 1.00 0.00 O ATOM 807 CB TRP A 55 3.733 -6.209 8.639 1.00 0.00 C ATOM 808 CG TRP A 55 5.061 -6.757 9.068 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.126 -6.046 9.544 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.466 -8.130 9.057 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.168 -6.894 9.829 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.788 -8.178 9.540 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.840 -9.323 8.688 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.493 -9.373 9.662 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.541 -10.508 8.808 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.856 -10.526 9.293 1.00 0.00 C ATOM 0 H TRP A 55 4.844 -3.640 9.772 1.00 0.00 H new ATOM 0 HA TRP A 55 2.240 -4.781 9.229 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.982 -6.995 8.716 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.788 -5.923 7.589 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.146 -4.974 9.677 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.077 -6.613 10.196 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.826 -9.319 8.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.507 -9.389 10.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.068 -11.436 8.523 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.376 -11.469 9.377 1.00 0.00 H new ATOM 827 N ASP A 56 2.487 -6.174 11.432 1.00 0.00 N ATOM 828 CA ASP A 56 2.477 -6.560 12.838 1.00 0.00 C ATOM 829 C ASP A 56 3.121 -7.930 13.029 1.00 0.00 C ATOM 830 O ASP A 56 2.723 -8.696 13.906 1.00 0.00 O ATOM 831 CB ASP A 56 1.045 -6.577 13.375 1.00 0.00 C ATOM 832 CG ASP A 56 0.173 -7.594 12.667 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.483 -7.937 11.507 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.820 -8.049 13.273 1.00 0.00 O ATOM 0 H ASP A 56 1.758 -6.613 10.869 1.00 0.00 H new ATOM 0 HA ASP A 56 3.057 -5.824 13.395 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.063 -6.798 14.442 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.606 -5.586 13.263 1.00 0.00 H new ATOM 839 N GLU A 57 4.116 -8.232 12.201 1.00 0.00 N ATOM 840 CA GLU A 57 4.813 -9.510 12.278 1.00 0.00 C ATOM 841 C GLU A 57 3.842 -10.640 12.608 1.00 0.00 C ATOM 842 O GLU A 57 4.199 -11.603 13.285 1.00 0.00 O ATOM 843 CB GLU A 57 5.920 -9.450 13.333 1.00 0.00 C ATOM 844 CG GLU A 57 7.145 -8.670 12.886 1.00 0.00 C ATOM 845 CD GLU A 57 8.158 -8.487 13.999 1.00 0.00 C ATOM 846 OE1 GLU A 57 7.810 -7.854 15.019 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.298 -8.974 13.851 1.00 0.00 O ATOM 0 H GLU A 57 4.457 -7.609 11.469 1.00 0.00 H new ATOM 0 HA GLU A 57 5.260 -9.710 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.522 -8.996 14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.220 -10.466 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.617 -9.189 12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.834 -7.692 12.518 1.00 0.00 H new ATOM 854 N GLY A 58 2.609 -10.513 12.125 1.00 0.00 N ATOM 855 CA GLY A 58 1.605 -11.529 12.380 1.00 0.00 C ATOM 856 C GLY A 58 1.528 -11.916 13.843 1.00 0.00 C ATOM 857 O GLY A 58 1.527 -13.099 14.182 1.00 0.00 O ATOM 0 H GLY A 58 2.288 -9.725 11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.632 -11.163 12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.829 -12.414 11.785 1.00 0.00 H new ATOM 861 N LYS A 59 1.466 -10.915 14.715 1.00 0.00 N ATOM 862 CA LYS A 59 1.390 -11.154 16.151 1.00 0.00 C ATOM 863 C LYS A 59 -0.061 -11.221 16.615 1.00 0.00 C ATOM 864 O LYS A 59 -0.484 -12.203 17.225 1.00 0.00 O ATOM 865 CB LYS A 59 2.130 -10.052 16.913 1.00 0.00 C ATOM 866 CG LYS A 59 3.642 -10.161 16.824 1.00 0.00 C ATOM 867 CD LYS A 59 4.207 -11.009 17.951 1.00 0.00 C ATOM 868 CE LYS A 59 4.284 -12.477 17.560 1.00 0.00 C ATOM 869 NZ LYS A 59 5.123 -13.261 18.508 1.00 0.00 N ATOM 0 H LYS A 59 1.467 -9.930 14.452 1.00 0.00 H new ATOM 0 HA LYS A 59 1.865 -12.113 16.360 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.821 -9.082 16.524 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.833 -10.084 17.961 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.920 -10.597 15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.082 -9.165 16.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.201 -10.649 18.215 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.583 -10.900 18.838 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.279 -12.898 17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.695 -12.564 16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.150 -14.256 18.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.089 -12.876 18.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.717 -13.200 19.463 1.00 0.00 H new ATOM 883 N GLY A 60 -0.821 -10.170 16.321 1.00 0.00 N ATOM 884 CA GLY A 60 -2.218 -10.131 16.715 1.00 0.00 C ATOM 885 C GLY A 60 -2.489 -9.095 17.788 1.00 0.00 C ATOM 886 O GLY A 60 -3.404 -9.253 18.595 1.00 0.00 O ATOM 0 H GLY A 60 -0.495 -9.345 15.817 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.833 -9.914 15.841 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.517 -11.114 17.079 1.00 0.00 H new ATOM 890 N ASN A 61 -1.689 -8.033 17.799 1.00 0.00 N ATOM 891 CA ASN A 61 -1.846 -6.969 18.783 1.00 0.00 C ATOM 892 C ASN A 61 -2.170 -5.642 18.102 1.00 0.00 C ATOM 893 O ASN A 61 -2.976 -4.857 18.599 1.00 0.00 O ATOM 894 CB ASN A 61 -0.573 -6.828 19.620 1.00 0.00 C ATOM 895 CG ASN A 61 0.172 -8.141 19.764 1.00 0.00 C ATOM 896 OD1 ASN A 61 -0.411 -9.161 20.132 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.468 -8.120 19.474 1.00 0.00 N ATOM 0 H ASN A 61 -0.926 -7.887 17.138 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.676 -7.233 19.438 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.083 -6.090 19.158 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.832 -6.450 20.609 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.022 -8.973 19.553 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.909 -7.251 19.173 1.00 0.00 H new ATOM 904 N GLY A 62 -1.534 -5.399 16.959 1.00 0.00 N ATOM 905 CA GLY A 62 -1.768 -4.167 16.228 1.00 0.00 C ATOM 906 C GLY A 62 -0.555 -3.257 16.223 1.00 0.00 C ATOM 907 O GLY A 62 -0.680 -2.049 16.029 1.00 0.00 O ATOM 0 H GLY A 62 -0.862 -6.033 16.527 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.045 -4.404 15.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.612 -3.640 16.672 1.00 0.00 H new ATOM 911 N GLU A 63 0.620 -3.839 16.439 1.00 0.00 N ATOM 912 CA GLU A 63 1.859 -3.071 16.461 1.00 0.00 C ATOM 913 C GLU A 63 2.510 -3.048 15.081 1.00 0.00 C ATOM 914 O GLU A 63 3.126 -4.026 14.656 1.00 0.00 O ATOM 915 CB GLU A 63 2.832 -3.659 17.486 1.00 0.00 C ATOM 916 CG GLU A 63 2.848 -5.178 17.508 1.00 0.00 C ATOM 917 CD GLU A 63 4.164 -5.740 18.009 1.00 0.00 C ATOM 918 OE1 GLU A 63 5.071 -4.940 18.318 1.00 0.00 O ATOM 919 OE2 GLU A 63 4.286 -6.980 18.094 1.00 0.00 O ATOM 0 H GLU A 63 0.740 -4.839 16.601 1.00 0.00 H new ATOM 0 HA GLU A 63 1.616 -2.047 16.746 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.837 -3.297 17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.567 -3.292 18.478 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.038 -5.537 18.143 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.655 -5.554 16.503 1.00 0.00 H new ATOM 926 N PHE A 64 2.368 -1.925 14.385 1.00 0.00 N ATOM 927 CA PHE A 64 2.940 -1.774 13.052 1.00 0.00 C ATOM 928 C PHE A 64 4.310 -1.105 13.120 1.00 0.00 C ATOM 929 O PHE A 64 4.462 -0.036 13.713 1.00 0.00 O ATOM 930 CB PHE A 64 2.004 -0.954 12.162 1.00 0.00 C ATOM 931 CG PHE A 64 0.736 -1.675 11.801 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.170 -2.043 12.782 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.451 -1.983 10.481 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.337 -2.707 12.453 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.714 -2.647 10.145 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.610 -3.008 11.132 1.00 0.00 C ATOM 0 H PHE A 64 1.862 -1.106 14.722 1.00 0.00 H new ATOM 0 HA PHE A 64 3.061 -2.768 12.622 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.751 -0.025 12.673 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.531 -0.682 11.247 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.038 -1.809 13.816 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.147 -1.701 9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.035 -2.990 13.227 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.923 -2.883 9.112 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.522 -3.524 10.872 1.00 0.00 H new ATOM 946 N CYS A 65 5.303 -1.742 12.510 1.00 0.00 N ATOM 947 CA CYS A 65 6.662 -1.211 12.503 1.00 0.00 C ATOM 948 C CYS A 65 7.271 -1.296 11.107 1.00 0.00 C ATOM 949 O CYS A 65 6.808 -2.064 10.264 1.00 0.00 O ATOM 950 CB CYS A 65 7.535 -1.971 13.501 1.00 0.00 C ATOM 951 SG CYS A 65 7.418 -1.361 15.199 1.00 0.00 S ATOM 0 H CYS A 65 5.193 -2.626 12.014 1.00 0.00 H new ATOM 0 HA CYS A 65 6.617 -0.162 12.797 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.254 -3.024 13.485 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.574 -1.913 13.176 1.00 0.00 H new ATOM 0 HG CYS A 65 8.191 -2.069 15.969 1.00 0.00 H new ATOM 957 N GLN A 66 8.311 -0.503 10.871 1.00 0.00 N ATOM 958 CA GLN A 66 8.982 -0.488 9.577 1.00 0.00 C ATOM 959 C GLN A 66 9.421 -1.892 9.175 1.00 0.00 C ATOM 960 O GLN A 66 10.275 -2.496 9.826 1.00 0.00 O ATOM 961 CB GLN A 66 10.192 0.446 9.617 1.00 0.00 C ATOM 962 CG GLN A 66 10.763 0.762 8.244 1.00 0.00 C ATOM 963 CD GLN A 66 11.981 1.662 8.310 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.247 2.291 9.335 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.729 1.729 7.215 1.00 0.00 N ATOM 0 H GLN A 66 8.707 0.137 11.559 1.00 0.00 H new ATOM 0 HA GLN A 66 8.274 -0.122 8.833 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.905 1.377 10.105 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.971 -0.008 10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.031 -0.169 7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.995 1.241 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.472 1.191 6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.561 2.319 7.201 1.00 0.00 H new ATOM 974 N CYS A 67 8.833 -2.406 8.101 1.00 0.00 N ATOM 975 CA CYS A 67 9.163 -3.740 7.613 1.00 0.00 C ATOM 976 C CYS A 67 10.112 -3.664 6.422 1.00 0.00 C ATOM 977 O CYS A 67 11.151 -4.325 6.399 1.00 0.00 O ATOM 978 CB CYS A 67 7.890 -4.491 7.220 1.00 0.00 C ATOM 979 SG CYS A 67 8.091 -6.286 7.124 1.00 0.00 S ATOM 0 H CYS A 67 8.125 -1.919 7.551 1.00 0.00 H new ATOM 0 HA CYS A 67 9.662 -4.281 8.417 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.108 -4.262 7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.547 -4.122 6.253 1.00 0.00 H new ATOM 0 HG CYS A 67 7.334 -6.856 8.014 1.00 0.00 H new ATOM 985 N TYR A 68 9.748 -2.856 5.433 1.00 0.00 N ATOM 986 CA TYR A 68 10.565 -2.696 4.236 1.00 0.00 C ATOM 987 C TYR A 68 10.504 -1.261 3.722 1.00 0.00 C ATOM 988 O TYR A 68 9.428 -0.676 3.608 1.00 0.00 O ATOM 989 CB TYR A 68 10.100 -3.661 3.144 1.00 0.00 C ATOM 990 CG TYR A 68 10.833 -3.490 1.832 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.384 -2.589 0.875 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.977 -4.228 1.551 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.050 -2.430 -0.325 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.650 -4.075 0.355 1.00 0.00 C ATOM 995 CZ TYR A 68 12.183 -3.175 -0.580 1.00 0.00 C ATOM 996 OH TYR A 68 12.850 -3.018 -1.773 1.00 0.00 O ATOM 0 H TYR A 68 8.892 -2.301 5.436 1.00 0.00 H new ATOM 0 HA TYR A 68 11.598 -2.925 4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.234 -4.684 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.033 -3.519 2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.499 -2.003 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.346 -4.933 2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.686 -1.727 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.537 -4.657 0.153 1.00 0.00 H new ATOM 0 HH TYR A 68 13.627 -3.615 -1.794 1.00 0.00 H new ATOM 1006 N MET A 69 11.669 -0.701 3.413 1.00 0.00 N ATOM 1007 CA MET A 69 11.749 0.665 2.909 1.00 0.00 C ATOM 1008 C MET A 69 12.734 0.760 1.747 1.00 0.00 C ATOM 1009 O MET A 69 13.942 0.623 1.933 1.00 0.00 O ATOM 1010 CB MET A 69 12.170 1.621 4.028 1.00 0.00 C ATOM 1011 CG MET A 69 12.461 3.032 3.544 1.00 0.00 C ATOM 1012 SD MET A 69 13.072 4.104 4.859 1.00 0.00 S ATOM 1013 CE MET A 69 12.751 5.720 4.155 1.00 0.00 C ATOM 0 H MET A 69 12.570 -1.171 3.503 1.00 0.00 H new ATOM 0 HA MET A 69 10.761 0.951 2.549 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.381 1.659 4.779 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.058 1.224 4.519 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.197 2.992 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.553 3.462 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.076 6.492 4.853 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.298 5.824 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.683 5.829 3.965 1.00 0.00 H new ATOM 1023 N GLY A 70 12.208 0.994 0.549 1.00 0.00 N ATOM 1024 CA GLY A 70 13.055 1.101 -0.625 1.00 0.00 C ATOM 1025 C GLY A 70 12.304 1.617 -1.836 1.00 0.00 C ATOM 1026 O GLY A 70 11.276 2.280 -1.702 1.00 0.00 O ATOM 0 H GLY A 70 11.211 1.111 0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.890 1.768 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.479 0.123 -0.854 1.00 0.00 H new ATOM 1030 N SER A 71 12.818 1.312 -3.023 1.00 0.00 N ATOM 1031 CA SER A 71 12.192 1.753 -4.264 1.00 0.00 C ATOM 1032 C SER A 71 11.295 0.662 -4.838 1.00 0.00 C ATOM 1033 O SER A 71 10.197 0.937 -5.321 1.00 0.00 O ATOM 1034 CB SER A 71 13.260 2.143 -5.289 1.00 0.00 C ATOM 1035 OG SER A 71 12.714 2.962 -6.308 1.00 0.00 O ATOM 0 H SER A 71 13.667 0.761 -3.152 1.00 0.00 H new ATOM 0 HA SER A 71 11.577 2.625 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.072 2.671 -4.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.689 1.244 -5.732 1.00 0.00 H new ATOM 0 HG SER A 71 13.416 3.199 -6.949 1.00 0.00 H new ATOM 1041 N GLN A 72 11.772 -0.578 -4.782 1.00 0.00 N ATOM 1042 CA GLN A 72 11.013 -1.712 -5.297 1.00 0.00 C ATOM 1043 C GLN A 72 9.584 -1.697 -4.765 1.00 0.00 C ATOM 1044 O GLN A 72 9.325 -1.218 -3.661 1.00 0.00 O ATOM 1045 CB GLN A 72 11.698 -3.026 -4.917 1.00 0.00 C ATOM 1046 CG GLN A 72 12.717 -3.499 -5.941 1.00 0.00 C ATOM 1047 CD GLN A 72 12.072 -3.986 -7.224 1.00 0.00 C ATOM 1048 OE1 GLN A 72 10.854 -4.157 -7.294 1.00 0.00 O ATOM 1049 NE2 GLN A 72 12.886 -4.213 -8.248 1.00 0.00 N ATOM 0 H GLN A 72 12.679 -0.822 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 72 10.978 -1.630 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.193 -2.903 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.939 -3.798 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.402 -2.683 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.313 -4.304 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.889 -4.058 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.508 -4.542 -9.136 1.00 0.00 H new ATOM 1058 N LYS A 73 8.657 -2.225 -5.558 1.00 0.00 N ATOM 1059 CA LYS A 73 7.253 -2.274 -5.168 1.00 0.00 C ATOM 1060 C LYS A 73 6.829 -3.702 -4.840 1.00 0.00 C ATOM 1061 O LYS A 73 5.650 -4.043 -4.923 1.00 0.00 O ATOM 1062 CB LYS A 73 6.372 -1.713 -6.286 1.00 0.00 C ATOM 1063 CG LYS A 73 6.625 -0.245 -6.581 1.00 0.00 C ATOM 1064 CD LYS A 73 5.859 0.216 -7.810 1.00 0.00 C ATOM 1065 CE LYS A 73 6.652 -0.029 -9.085 1.00 0.00 C ATOM 1066 NZ LYS A 73 7.831 0.874 -9.187 1.00 0.00 N ATOM 0 H LYS A 73 8.853 -2.625 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 73 7.128 -1.662 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.540 -2.292 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.325 -1.845 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.331 0.356 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.692 -0.082 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.907 -0.311 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.631 1.278 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.986 -1.066 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.005 0.120 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.132 0.941 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.575 1.820 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.611 0.493 -8.614 1.00 0.00 H new ATOM 1080 N GLN A 74 7.799 -4.532 -4.467 1.00 0.00 N ATOM 1081 CA GLN A 74 7.524 -5.922 -4.125 1.00 0.00 C ATOM 1082 C GLN A 74 8.530 -6.441 -3.103 1.00 0.00 C ATOM 1083 O GLN A 74 9.739 -6.280 -3.269 1.00 0.00 O ATOM 1084 CB GLN A 74 7.561 -6.794 -5.382 1.00 0.00 C ATOM 1085 CG GLN A 74 7.508 -8.285 -5.089 1.00 0.00 C ATOM 1086 CD GLN A 74 8.115 -9.120 -6.199 1.00 0.00 C ATOM 1087 OE1 GLN A 74 7.891 -8.859 -7.382 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.891 -10.130 -5.824 1.00 0.00 N ATOM 0 H GLN A 74 8.781 -4.266 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 74 6.528 -5.972 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.721 -6.528 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.471 -6.574 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.036 -8.487 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.471 -8.585 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.050 -10.310 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.329 -10.725 -6.527 1.00 0.00 H new ATOM 1097 N PHE A 75 8.022 -7.063 -2.044 1.00 0.00 N ATOM 1098 CA PHE A 75 8.876 -7.604 -0.993 1.00 0.00 C ATOM 1099 C PHE A 75 8.312 -8.916 -0.455 1.00 0.00 C ATOM 1100 O PHE A 75 7.176 -8.969 0.017 1.00 0.00 O ATOM 1101 CB PHE A 75 9.022 -6.593 0.146 1.00 0.00 C ATOM 1102 CG PHE A 75 9.616 -7.179 1.395 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.808 -7.883 1.347 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.982 -7.025 2.618 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.357 -8.423 2.495 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.526 -7.563 3.769 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.715 -8.262 3.707 1.00 0.00 C ATOM 0 H PHE A 75 7.024 -7.205 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 75 9.858 -7.801 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.647 -5.766 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.042 -6.177 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.314 -8.011 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.052 -6.478 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.287 -8.970 2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.022 -7.437 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.142 -8.682 4.605 1.00 0.00 H new ATOM 1117 N LYS A 76 9.114 -9.973 -0.529 1.00 0.00 N ATOM 1118 CA LYS A 76 8.697 -11.285 -0.050 1.00 0.00 C ATOM 1119 C LYS A 76 9.196 -11.529 1.371 1.00 0.00 C ATOM 1120 O LYS A 76 10.395 -11.687 1.599 1.00 0.00 O ATOM 1121 CB LYS A 76 9.221 -12.381 -0.981 1.00 0.00 C ATOM 1122 CG LYS A 76 8.801 -13.781 -0.569 1.00 0.00 C ATOM 1123 CD LYS A 76 9.686 -14.839 -1.207 1.00 0.00 C ATOM 1124 CE LYS A 76 9.048 -16.218 -1.132 1.00 0.00 C ATOM 1125 NZ LYS A 76 9.491 -17.096 -2.251 1.00 0.00 N ATOM 0 H LYS A 76 10.057 -9.946 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 76 7.607 -11.312 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.865 -12.187 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.309 -12.331 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.849 -13.872 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.764 -13.951 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.872 -14.579 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.653 -14.857 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.304 -16.685 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.963 -16.118 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.034 -18.026 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.225 -16.663 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.524 -17.213 -2.213 1.00 0.00 H new ATOM 1139 N ILE A 77 8.268 -11.559 2.321 1.00 0.00 N ATOM 1140 CA ILE A 77 8.614 -11.787 3.719 1.00 0.00 C ATOM 1141 C ILE A 77 8.749 -13.276 4.016 1.00 0.00 C ATOM 1142 O ILE A 77 7.754 -13.993 4.125 1.00 0.00 O ATOM 1143 CB ILE A 77 7.562 -11.179 4.666 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.531 -9.656 4.520 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.855 -11.573 6.106 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.178 -9.048 4.813 1.00 0.00 C ATOM 0 H ILE A 77 7.271 -11.428 2.149 1.00 0.00 H new ATOM 0 HA ILE A 77 9.572 -11.296 3.891 1.00 0.00 H new ATOM 0 HB ILE A 77 6.582 -11.571 4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.270 -9.220 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.828 -9.390 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.103 -11.136 6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.830 -12.659 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.842 -11.207 6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.231 -7.966 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.439 -9.456 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.888 -9.283 5.837 1.00 0.00 H new ATOM 1158 N THR A 78 9.989 -13.737 4.149 1.00 0.00 N ATOM 1159 CA THR A 78 10.256 -15.141 4.435 1.00 0.00 C ATOM 1160 C THR A 78 10.385 -15.382 5.935 1.00 0.00 C ATOM 1161 O THR A 78 10.186 -14.472 6.740 1.00 0.00 O ATOM 1162 CB THR A 78 11.542 -15.622 3.737 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.649 -14.805 4.132 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.386 -15.577 2.224 1.00 0.00 C ATOM 0 H THR A 78 10.824 -13.158 4.063 1.00 0.00 H new ATOM 0 HA THR A 78 9.409 -15.708 4.050 1.00 0.00 H new ATOM 0 HB THR A 78 11.727 -16.653 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.463 -15.119 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.307 -15.921 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.561 -16.223 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.178 -14.554 1.910 1.00 0.00 H new ATOM 1172 N LYS A 79 10.721 -16.613 6.305 1.00 0.00 N ATOM 1173 CA LYS A 79 10.879 -16.975 7.709 1.00 0.00 C ATOM 1174 C LYS A 79 9.579 -16.757 8.476 1.00 0.00 C ATOM 1175 O LYS A 79 9.566 -16.114 9.527 1.00 0.00 O ATOM 1176 CB LYS A 79 12.003 -16.153 8.344 1.00 0.00 C ATOM 1177 CG LYS A 79 13.351 -16.342 7.671 1.00 0.00 C ATOM 1178 CD LYS A 79 14.495 -16.164 8.654 1.00 0.00 C ATOM 1179 CE LYS A 79 15.781 -15.763 7.946 1.00 0.00 C ATOM 1180 NZ LYS A 79 16.653 -14.924 8.814 1.00 0.00 N ATOM 0 H LYS A 79 10.889 -17.378 5.651 1.00 0.00 H new ATOM 0 HA LYS A 79 11.137 -18.033 7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.734 -15.097 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.090 -16.425 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.402 -17.337 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.455 -15.626 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.230 -15.403 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.654 -17.093 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.324 -16.659 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.539 -15.214 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.519 -14.672 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.145 -14.057 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.905 -15.457 9.671 1.00 0.00 H new ATOM 1194 N LEU A 80 8.487 -17.297 7.946 1.00 0.00 N ATOM 1195 CA LEU A 80 7.181 -17.164 8.583 1.00 0.00 C ATOM 1196 C LEU A 80 6.584 -18.533 8.892 1.00 0.00 C ATOM 1197 O LEU A 80 7.222 -19.563 8.676 1.00 0.00 O ATOM 1198 CB LEU A 80 6.232 -16.372 7.683 1.00 0.00 C ATOM 1199 CG LEU A 80 6.718 -14.990 7.245 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.750 -14.375 6.246 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.892 -14.079 8.452 1.00 0.00 C ATOM 0 H LEU A 80 8.480 -17.831 7.077 1.00 0.00 H new ATOM 0 HA LEU A 80 7.315 -16.627 9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.032 -16.964 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.283 -16.252 8.206 1.00 0.00 H new ATOM 0 HG LEU A 80 7.686 -15.104 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.113 -13.392 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.675 -15.018 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.767 -14.274 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.238 -13.100 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.938 -13.972 8.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.625 -14.513 9.132 1.00 0.00 H new ATOM 1213 N SER A 81 5.354 -18.535 9.398 1.00 0.00 N ATOM 1214 CA SER A 81 4.671 -19.778 9.739 1.00 0.00 C ATOM 1215 C SER A 81 3.270 -19.810 9.135 1.00 0.00 C ATOM 1216 O SER A 81 2.642 -18.777 8.903 1.00 0.00 O ATOM 1217 CB SER A 81 4.587 -19.939 11.258 1.00 0.00 C ATOM 1218 OG SER A 81 5.870 -20.158 11.818 1.00 0.00 O ATOM 0 H SER A 81 4.811 -17.691 9.581 1.00 0.00 H new ATOM 0 HA SER A 81 5.247 -20.606 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.142 -19.046 11.698 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.932 -20.775 11.503 1.00 0.00 H new ATOM 0 HG SER A 81 5.790 -20.256 12.790 1.00 0.00 H new ATOM 1224 N PRO A 82 2.767 -21.026 8.873 1.00 0.00 N ATOM 1225 CA PRO A 82 1.435 -21.224 8.294 1.00 0.00 C ATOM 1226 C PRO A 82 0.319 -20.864 9.269 1.00 0.00 C ATOM 1227 O PRO A 82 0.438 -21.089 10.473 1.00 0.00 O ATOM 1228 CB PRO A 82 1.406 -22.721 7.976 1.00 0.00 C ATOM 1229 CG PRO A 82 2.381 -23.329 8.924 1.00 0.00 C ATOM 1230 CD PRO A 82 3.460 -22.301 9.124 1.00 0.00 C ATOM 0 HA PRO A 82 1.269 -20.586 7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.408 -23.136 8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.689 -22.911 6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.901 -23.580 9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.793 -24.254 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.873 -22.342 10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.290 -22.450 8.433 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.764 -20.304 8.740 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.902 -19.916 9.564 1.00 0.00 C ATOM 1240 C ALA A 83 -1.538 -18.765 10.496 1.00 0.00 C ATOM 1241 O ALA A 83 -1.930 -18.750 11.662 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.404 -21.108 10.366 1.00 0.00 C ATOM 0 H ALA A 83 -0.877 -20.109 7.745 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.699 -19.576 8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.254 -20.804 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.712 -21.901 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.606 -21.474 11.012 1.00 0.00 H new ATOM 1248 N MET A 84 -0.786 -17.802 9.973 1.00 0.00 N ATOM 1249 CA MET A 84 -0.370 -16.646 10.759 1.00 0.00 C ATOM 1250 C MET A 84 -0.942 -15.358 10.175 1.00 0.00 C ATOM 1251 O MET A 84 -0.404 -14.808 9.215 1.00 0.00 O ATOM 1252 CB MET A 84 1.156 -16.562 10.813 1.00 0.00 C ATOM 1253 CG MET A 84 1.672 -15.325 11.530 1.00 0.00 C ATOM 1254 SD MET A 84 3.451 -15.101 11.339 1.00 0.00 S ATOM 1255 CE MET A 84 3.500 -13.904 10.008 1.00 0.00 C ATOM 0 H MET A 84 -0.452 -17.799 9.009 1.00 0.00 H new ATOM 0 HA MET A 84 -0.756 -16.768 11.771 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.543 -17.450 11.313 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.548 -16.573 9.796 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.156 -14.445 11.145 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.431 -15.398 12.591 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.270 -13.161 10.215 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.728 -14.411 9.071 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.532 -13.410 9.927 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.036 -14.881 10.761 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.662 -13.662 10.285 1.00 0.00 C ATOM 1267 C GLY A 85 -1.797 -12.438 10.516 1.00 0.00 C ATOM 1268 O GLY A 85 -1.585 -12.026 11.657 1.00 0.00 O ATOM 0 H GLY A 85 -2.500 -15.318 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.874 -13.758 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.619 -13.528 10.789 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.295 -11.857 9.432 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.446 -10.675 9.521 1.00 0.00 C ATOM 1274 C CYS A 86 -1.009 -9.537 8.676 1.00 0.00 C ATOM 1275 O CYS A 86 -1.431 -9.744 7.538 1.00 0.00 O ATOM 1276 CB CYS A 86 0.976 -11.007 9.070 1.00 0.00 C ATOM 1277 SG CYS A 86 1.069 -12.312 7.822 1.00 0.00 S ATOM 0 H CYS A 86 -1.461 -12.186 8.481 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.422 -10.353 10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.439 -10.104 8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.560 -11.308 9.939 1.00 0.00 H new ATOM 0 HG CYS A 86 0.500 -13.389 8.277 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.012 -8.334 9.240 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.523 -7.161 8.539 1.00 0.00 C ATOM 1285 C LYS A 87 -0.384 -6.360 7.918 1.00 0.00 C ATOM 1286 O LYS A 87 0.760 -6.435 8.369 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.320 -6.275 9.499 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.688 -6.833 9.849 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.401 -5.963 10.870 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.912 -6.111 10.771 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.622 -5.180 11.691 1.00 0.00 N ATOM 0 H LYS A 87 -0.666 -8.145 10.181 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.181 -7.504 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.747 -6.140 10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.443 -5.289 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.294 -6.906 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.580 -7.843 10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.073 -6.235 11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.126 -4.920 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.229 -5.920 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.192 -7.138 11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.649 -5.312 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.339 -5.378 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.375 -4.199 11.451 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.703 -5.592 6.881 1.00 0.00 N ATOM 1306 CA PHE A 88 0.294 -4.777 6.198 1.00 0.00 C ATOM 1307 C PHE A 88 -0.310 -3.455 5.732 1.00 0.00 C ATOM 1308 O PHE A 88 -1.530 -3.322 5.626 1.00 0.00 O ATOM 1309 CB PHE A 88 0.873 -5.536 5.002 1.00 0.00 C ATOM 1310 CG PHE A 88 1.304 -6.936 5.332 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.383 -7.971 5.356 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.630 -7.218 5.619 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.776 -9.261 5.659 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.029 -8.506 5.922 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.100 -9.528 5.943 1.00 0.00 C ATOM 0 H PHE A 88 -1.644 -5.517 6.496 1.00 0.00 H new ATOM 0 HA PHE A 88 1.095 -4.561 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.126 -5.572 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.728 -4.984 4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.654 -7.767 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.360 -6.422 5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.048 -10.059 5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.066 -8.713 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.409 -10.535 6.181 1.00 0.00 H new ATOM 1325 N ARG A 89 0.551 -2.482 5.456 1.00 0.00 N ATOM 1326 CA ARG A 89 0.103 -1.171 5.003 1.00 0.00 C ATOM 1327 C ARG A 89 1.166 -0.502 4.136 1.00 0.00 C ATOM 1328 O ARG A 89 2.348 -0.494 4.480 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.227 -0.279 6.202 1.00 0.00 C ATOM 1330 CG ARG A 89 0.978 0.045 7.070 1.00 0.00 C ATOM 1331 CD ARG A 89 0.605 0.970 8.218 1.00 0.00 C ATOM 1332 NE ARG A 89 1.784 1.515 8.887 1.00 0.00 N ATOM 1333 CZ ARG A 89 1.766 2.012 10.119 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.636 2.031 10.812 1.00 0.00 N ATOM 1335 NH2 ARG A 89 2.879 2.489 10.659 1.00 0.00 N ATOM 0 H ARG A 89 1.563 -2.577 5.538 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.796 -1.310 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.666 0.652 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.983 -0.772 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.400 -0.878 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.751 0.513 6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.008 1.788 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.002 0.425 8.941 1.00 0.00 H new ATOM 0 HE ARG A 89 2.669 1.514 8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.221 1.664 10.399 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.624 2.413 11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.750 2.475 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.864 2.870 11.605 1.00 0.00 H new ATOM 1349 N LEU A 90 0.737 0.057 3.010 1.00 0.00 N ATOM 1350 CA LEU A 90 1.651 0.728 2.092 1.00 0.00 C ATOM 1351 C LEU A 90 1.418 2.235 2.096 1.00 0.00 C ATOM 1352 O LEU A 90 0.280 2.697 2.170 1.00 0.00 O ATOM 1353 CB LEU A 90 1.478 0.177 0.676 1.00 0.00 C ATOM 1354 CG LEU A 90 2.441 0.724 -0.379 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.778 0.003 -0.305 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.838 0.592 -1.770 1.00 0.00 C ATOM 0 H LEU A 90 -0.238 0.059 2.711 1.00 0.00 H new ATOM 0 HA LEU A 90 2.670 0.536 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.589 -0.907 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.458 0.382 0.350 1.00 0.00 H new ATOM 0 HG LEU A 90 2.610 1.782 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.451 0.405 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.216 0.148 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.627 -1.062 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.536 0.986 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.640 -0.459 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.905 1.154 -1.817 1.00 0.00 H new ATOM 1368 N SER A 91 2.505 2.997 2.015 1.00 0.00 N ATOM 1369 CA SER A 91 2.419 4.452 2.011 1.00 0.00 C ATOM 1370 C SER A 91 3.613 5.065 1.285 1.00 0.00 C ATOM 1371 O SER A 91 4.732 4.561 1.374 1.00 0.00 O ATOM 1372 CB SER A 91 2.350 4.984 3.443 1.00 0.00 C ATOM 1373 OG SER A 91 3.524 4.656 4.166 1.00 0.00 O ATOM 0 H SER A 91 3.455 2.630 1.951 1.00 0.00 H new ATOM 0 HA SER A 91 1.509 4.736 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.220 6.066 3.426 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.479 4.566 3.948 1.00 0.00 H new ATOM 0 HG SER A 91 3.371 4.804 5.123 1.00 0.00 H new ATOM 1379 N ALA A 92 3.366 6.156 0.568 1.00 0.00 N ATOM 1380 CA ALA A 92 4.420 6.839 -0.171 1.00 0.00 C ATOM 1381 C ALA A 92 4.855 8.113 0.545 1.00 0.00 C ATOM 1382 O ALA A 92 4.022 8.922 0.954 1.00 0.00 O ATOM 1383 CB ALA A 92 3.953 7.158 -1.584 1.00 0.00 C ATOM 0 H ALA A 92 2.445 6.586 0.483 1.00 0.00 H new ATOM 0 HA ALA A 92 5.281 6.173 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.750 7.668 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.699 6.233 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.075 7.802 -1.540 1.00 0.00 H new ATOM 1389 N ARG A 93 6.165 8.285 0.693 1.00 0.00 N ATOM 1390 CA ARG A 93 6.710 9.460 1.362 1.00 0.00 C ATOM 1391 C ARG A 93 7.635 10.237 0.428 1.00 0.00 C ATOM 1392 O ARG A 93 8.530 9.664 -0.192 1.00 0.00 O ATOM 1393 CB ARG A 93 7.470 9.049 2.624 1.00 0.00 C ATOM 1394 CG ARG A 93 8.146 10.210 3.334 1.00 0.00 C ATOM 1395 CD ARG A 93 9.403 9.762 4.063 1.00 0.00 C ATOM 1396 NE ARG A 93 9.913 10.795 4.961 1.00 0.00 N ATOM 1397 CZ ARG A 93 9.360 11.087 6.133 1.00 0.00 C ATOM 1398 NH1 ARG A 93 8.287 10.428 6.547 1.00 0.00 N ATOM 1399 NH2 ARG A 93 9.882 12.040 6.895 1.00 0.00 N ATOM 0 H ARG A 93 6.868 7.626 0.359 1.00 0.00 H new ATOM 0 HA ARG A 93 5.878 10.106 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.778 8.566 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.224 8.308 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.401 10.983 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.451 10.657 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.188 8.859 4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.172 9.503 3.335 1.00 0.00 H new ATOM 0 HE ARG A 93 10.738 11.320 4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.883 9.694 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.865 10.655 7.447 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.708 12.549 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.457 12.264 7.795 1.00 0.00 H new ATOM 1413 N ASN A 94 7.411 11.544 0.334 1.00 0.00 N ATOM 1414 CA ASN A 94 8.223 12.398 -0.524 1.00 0.00 C ATOM 1415 C ASN A 94 8.972 13.441 0.300 1.00 0.00 C ATOM 1416 O ASN A 94 8.893 13.451 1.528 1.00 0.00 O ATOM 1417 CB ASN A 94 7.344 13.092 -1.567 1.00 0.00 C ATOM 1418 CG ASN A 94 6.212 13.880 -0.937 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.128 13.999 0.285 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.334 14.425 -1.772 1.00 0.00 N ATOM 0 H ASN A 94 6.674 12.034 0.841 1.00 0.00 H new ATOM 0 HA ASN A 94 8.953 11.770 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.959 13.762 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.930 12.345 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.552 14.968 -1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.442 14.301 -2.779 1.00 0.00 H new ATOM 1427 N ASP A 95 9.700 14.317 -0.385 1.00 0.00 N ATOM 1428 CA ASP A 95 10.462 15.365 0.282 1.00 0.00 C ATOM 1429 C ASP A 95 9.660 15.976 1.426 1.00 0.00 C ATOM 1430 O ASP A 95 10.226 16.432 2.420 1.00 0.00 O ATOM 1431 CB ASP A 95 10.858 16.453 -0.718 1.00 0.00 C ATOM 1432 CG ASP A 95 12.065 17.248 -0.261 1.00 0.00 C ATOM 1433 OD1 ASP A 95 12.924 16.673 0.440 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.151 18.446 -0.605 1.00 0.00 O ATOM 0 H ASP A 95 9.778 14.321 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 95 11.365 14.916 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.073 15.994 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.016 17.129 -0.867 1.00 0.00 H new ATOM 1439 N TYR A 96 8.340 15.983 1.279 1.00 0.00 N ATOM 1440 CA TYR A 96 7.460 16.542 2.298 1.00 0.00 C ATOM 1441 C TYR A 96 7.322 15.587 3.481 1.00 0.00 C ATOM 1442 O TYR A 96 7.806 15.865 4.577 1.00 0.00 O ATOM 1443 CB TYR A 96 6.082 16.839 1.705 1.00 0.00 C ATOM 1444 CG TYR A 96 6.138 17.542 0.368 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.139 18.464 0.086 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.189 17.286 -0.614 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.194 19.109 -1.134 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.236 17.925 -1.838 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.240 18.836 -2.093 1.00 0.00 C ATOM 1450 OH TYR A 96 6.290 19.476 -3.310 1.00 0.00 O ATOM 0 H TYR A 96 7.856 15.608 0.464 1.00 0.00 H new ATOM 0 HA TYR A 96 7.903 17.472 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.535 15.903 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.519 17.454 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.887 18.680 0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.400 16.575 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.979 19.823 -1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.491 17.713 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 96 5.547 19.170 -3.871 1.00 0.00 H new ATOM 1460 N GLY A 97 6.656 14.460 3.248 1.00 0.00 N ATOM 1461 CA GLY A 97 6.466 13.480 4.302 1.00 0.00 C ATOM 1462 C GLY A 97 5.740 12.241 3.817 1.00 0.00 C ATOM 1463 O GLY A 97 5.472 12.095 2.624 1.00 0.00 O ATOM 0 H GLY A 97 6.245 14.208 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.437 13.194 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.901 13.932 5.117 1.00 0.00 H new ATOM 1467 N THR A 98 5.421 11.343 4.744 1.00 0.00 N ATOM 1468 CA THR A 98 4.724 10.109 4.405 1.00 0.00 C ATOM 1469 C THR A 98 3.220 10.334 4.312 1.00 0.00 C ATOM 1470 O THR A 98 2.583 10.749 5.281 1.00 0.00 O ATOM 1471 CB THR A 98 5.003 9.003 5.441 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.411 8.760 5.531 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.284 7.717 5.066 1.00 0.00 C ATOM 0 H THR A 98 5.635 11.448 5.736 1.00 0.00 H new ATOM 0 HA THR A 98 5.101 9.790 3.433 1.00 0.00 H new ATOM 0 HB THR A 98 4.631 9.340 6.409 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.580 8.057 6.193 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.496 6.951 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.210 7.899 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.630 7.378 4.089 1.00 0.00 H new ATOM 1481 N SER A 99 2.656 10.058 3.140 1.00 0.00 N ATOM 1482 CA SER A 99 1.225 10.234 2.920 1.00 0.00 C ATOM 1483 C SER A 99 0.428 9.145 3.632 1.00 0.00 C ATOM 1484 O SER A 99 0.955 8.078 3.944 1.00 0.00 O ATOM 1485 CB SER A 99 0.912 10.215 1.423 1.00 0.00 C ATOM 1486 OG SER A 99 1.313 8.990 0.833 1.00 0.00 O ATOM 0 H SER A 99 3.168 9.712 2.329 1.00 0.00 H new ATOM 0 HA SER A 99 0.935 11.200 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.157 10.363 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.422 11.043 0.931 1.00 0.00 H new ATOM 0 HG SER A 99 2.285 8.892 0.910 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.847 9.423 3.885 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.698 8.459 4.558 1.00 0.00 C ATOM 1494 C GLY A 100 -1.357 7.029 4.189 1.00 0.00 C ATOM 1495 O GLY A 100 -0.877 6.762 3.087 1.00 0.00 O ATOM 0 H GLY A 100 -1.306 10.299 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.603 8.585 5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.739 8.658 4.304 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.606 6.106 5.112 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.320 4.695 4.879 1.00 0.00 C ATOM 1501 C PHE A 101 -2.533 3.986 4.284 1.00 0.00 C ATOM 1502 O PHE A 101 -3.664 4.196 4.721 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.907 4.014 6.186 1.00 0.00 C ATOM 1504 CG PHE A 101 0.503 4.322 6.603 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.783 5.438 7.375 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.548 3.496 6.223 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.079 5.725 7.761 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.846 3.776 6.606 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.112 4.893 7.375 1.00 0.00 C ATOM 0 H PHE A 101 -2.005 6.310 6.028 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.497 4.629 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.588 4.324 6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.017 2.935 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.021 6.092 7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.346 2.623 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.283 6.598 8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.651 3.123 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.126 5.115 7.674 1.00 0.00 H new ATOM 1519 N SER A 102 -2.287 3.145 3.284 1.00 0.00 N ATOM 1520 CA SER A 102 -3.358 2.408 2.625 1.00 0.00 C ATOM 1521 C SER A 102 -4.219 1.671 3.647 1.00 0.00 C ATOM 1522 O SER A 102 -3.796 1.440 4.779 1.00 0.00 O ATOM 1523 CB SER A 102 -2.777 1.413 1.619 1.00 0.00 C ATOM 1524 OG SER A 102 -2.023 0.407 2.273 1.00 0.00 O ATOM 0 H SER A 102 -1.356 2.958 2.913 1.00 0.00 H new ATOM 0 HA SER A 102 -3.986 3.124 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.585 0.954 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.144 1.940 0.906 1.00 0.00 H new ATOM 0 HG SER A 102 -2.415 -0.471 2.083 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.430 1.305 3.237 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.351 0.595 4.117 1.00 0.00 C ATOM 1532 C GLU A 103 -5.714 -0.685 4.653 1.00 0.00 C ATOM 1533 O GLU A 103 -5.291 -1.548 3.884 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.645 0.260 3.373 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.479 1.482 3.023 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.683 1.140 2.167 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -9.485 0.644 1.038 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.821 1.370 2.624 1.00 0.00 O ATOM 0 H GLU A 103 -5.795 1.488 2.302 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.582 1.246 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.399 -0.276 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.243 -0.414 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.816 1.963 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.856 2.204 2.495 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.650 -0.797 5.976 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.064 -1.970 6.614 1.00 0.00 C ATOM 1547 C GLU A 104 -5.586 -3.255 5.977 1.00 0.00 C ATOM 1548 O GLU A 104 -6.795 -3.481 5.910 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.371 -1.970 8.113 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.803 -0.769 8.850 1.00 0.00 C ATOM 1551 CD GLU A 104 -3.310 -0.884 9.090 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -2.596 -1.342 8.173 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -2.856 -0.518 10.194 1.00 0.00 O ATOM 0 H GLU A 104 -5.996 -0.091 6.626 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.984 -1.927 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.452 -1.995 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.971 -2.881 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.006 0.135 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.314 -0.660 9.807 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.667 -4.093 5.510 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.033 -5.355 4.878 1.00 0.00 C ATOM 1562 C VAL A 105 -4.582 -6.543 5.721 1.00 0.00 C ATOM 1563 O VAL A 105 -3.458 -6.570 6.223 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.421 -5.477 3.470 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.150 -4.571 2.490 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.935 -5.151 3.506 1.00 0.00 C ATOM 0 H VAL A 105 -3.663 -3.921 5.557 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.120 -5.363 4.795 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.536 -6.506 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.703 -4.671 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.201 -4.856 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.069 -3.536 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.518 -5.242 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.795 -4.132 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.426 -5.845 4.175 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.466 -7.523 5.872 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.159 -8.716 6.654 1.00 0.00 C ATOM 1578 C LEU A 106 -4.977 -9.929 5.749 1.00 0.00 C ATOM 1579 O LEU A 106 -5.817 -10.210 4.893 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.272 -8.984 7.669 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.157 -10.287 8.462 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.989 -10.219 9.434 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.454 -10.575 9.204 1.00 0.00 C ATOM 0 H LEU A 106 -6.401 -7.515 5.464 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.224 -8.541 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.301 -8.154 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.225 -8.986 7.141 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.973 -11.102 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.923 -11.155 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.064 -10.059 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.142 -9.394 10.130 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.355 -11.506 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.668 -9.758 9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.270 -10.668 8.488 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.877 -10.647 5.944 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.584 -11.831 5.144 1.00 0.00 C ATOM 1597 C TYR A 107 -3.234 -13.018 6.036 1.00 0.00 C ATOM 1598 O TYR A 107 -2.717 -12.847 7.141 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.433 -11.548 4.177 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.855 -10.787 2.940 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.478 -11.436 1.881 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.630 -9.420 2.831 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.864 -10.745 0.748 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.014 -8.722 1.703 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.631 -9.388 0.664 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.013 -8.696 -0.462 1.00 0.00 O ATOM 0 H TYR A 107 -3.173 -10.430 6.649 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.477 -12.081 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.663 -10.979 4.698 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.982 -12.493 3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.664 -12.498 1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.147 -8.895 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.345 -11.265 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.832 -7.660 1.634 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.735 -7.760 -0.381 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.518 -14.220 5.549 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.235 -15.436 6.301 1.00 0.00 C ATOM 1618 C TYR A 108 -2.411 -16.413 5.468 1.00 0.00 C ATOM 1619 O TYR A 108 -2.910 -17.009 4.513 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.539 -16.102 6.745 1.00 0.00 C ATOM 1621 CG TYR A 108 -5.016 -15.651 8.107 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.694 -14.448 8.265 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.786 -16.426 9.237 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.131 -14.032 9.507 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.221 -16.018 10.484 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.892 -14.820 10.614 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.325 -14.410 11.854 1.00 0.00 O ATOM 0 H TYR A 108 -3.944 -14.379 4.636 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.657 -15.160 7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.315 -15.890 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.399 -17.183 6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.882 -13.828 7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.258 -17.363 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.657 -13.095 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.036 -16.634 11.352 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.077 -15.080 12.525 1.00 0.00 H new ATOM 1637 N THR A 109 -1.144 -16.573 5.837 1.00 0.00 N ATOM 1638 CA THR A 109 -0.249 -17.476 5.125 1.00 0.00 C ATOM 1639 C THR A 109 -0.976 -18.744 4.693 1.00 0.00 C ATOM 1640 O THR A 109 -1.957 -19.152 5.316 1.00 0.00 O ATOM 1641 CB THR A 109 0.964 -17.864 5.992 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.520 -18.421 7.234 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.847 -16.655 6.259 1.00 0.00 C ATOM 0 H THR A 109 -0.715 -16.089 6.625 1.00 0.00 H new ATOM 0 HA THR A 109 0.101 -16.942 4.241 1.00 0.00 H new ATOM 0 HB THR A 109 1.548 -18.607 5.449 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.254 -18.400 7.883 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.697 -16.954 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.207 -16.251 5.313 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.271 -15.892 6.783 1.00 0.00 H new ATOM 1651 N SER A 110 -0.490 -19.365 3.623 1.00 0.00 N ATOM 1652 CA SER A 110 -1.097 -20.585 3.105 1.00 0.00 C ATOM 1653 C SER A 110 -1.372 -21.575 4.233 1.00 0.00 C ATOM 1654 O SER A 110 -0.531 -21.792 5.104 1.00 0.00 O ATOM 1655 CB SER A 110 -0.186 -21.229 2.058 1.00 0.00 C ATOM 1656 OG SER A 110 -0.918 -22.094 1.207 1.00 0.00 O ATOM 0 H SER A 110 0.323 -19.043 3.098 1.00 0.00 H new ATOM 0 HA SER A 110 -2.045 -20.320 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.296 -20.452 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.606 -21.788 2.556 1.00 0.00 H new ATOM 0 HG SER A 110 -0.313 -22.491 0.546 1.00 0.00 H new