USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 425 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 50 HIS : no HE2:sc= -3.11! K(o=-3.8!,f=-5.1) USER MOD Set 1.2: A 60 SER OG : rot -120:sc= -0.689 USER MOD Set 2.1: A 37 CYS SG : rot 99:sc= 0.444 USER MOD Set 2.2: A 39 HIS : no HD1:sc= -3.55 K(o=-1.4,f=-3.8!) USER MOD Set 2.3: A 62 CYS SG : rot 144:sc= 0.97 USER MOD Set 2.4: A 65 CYS SG : rot -39:sc= 0.701 USER MOD Set 3.1: A 22 CYS SG : rot 96:sc= 0.527! USER MOD Set 3.2: A 25 CYS SG : rot -53:sc= -0.598 USER MOD Set 3.3: A 42 CYS SG : rot 84:sc= -0.999 USER MOD Set 3.4: A 45 CYS SG : rot 129:sc= -1.04 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 47 THR OG1 : rot 91:sc= 0.0518 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.632 F(o=-1.2,f=-0.63) USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= -1.89 (180deg=-3.75!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -51:sc= 0.944 USER MOD Single : A 54 MET CE :methyl -173:sc= -2.79 (180deg=-3.32) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.277 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.702 X(o=-0.7,f=-1.1) USER MOD Single : A 73 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.772 -9.497 -26.266 1.00 0.00 N ATOM 233 CA GLU A 19 -6.858 -8.904 -27.038 1.00 0.00 C ATOM 234 C GLU A 19 -7.231 -7.532 -26.486 1.00 0.00 C ATOM 235 O GLU A 19 -7.621 -6.635 -27.233 1.00 0.00 O ATOM 236 CB GLU A 19 -8.083 -9.822 -27.024 1.00 0.00 C ATOM 237 CG GLU A 19 -8.653 -10.056 -25.635 1.00 0.00 C ATOM 238 CD GLU A 19 -7.965 -11.193 -24.906 1.00 0.00 C ATOM 239 OE1 GLU A 19 -7.981 -12.328 -25.428 1.00 0.00 O ATOM 240 OE2 GLU A 19 -7.411 -10.950 -23.814 1.00 0.00 O ATOM 0 HA GLU A 19 -6.515 -8.782 -28.066 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.858 -9.390 -27.657 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.812 -10.782 -27.463 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.557 -9.142 -25.048 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.718 -10.273 -25.715 1.00 0.00 H new ATOM 247 N VAL A 20 -7.110 -7.375 -25.171 1.00 0.00 N ATOM 248 CA VAL A 20 -7.433 -6.113 -24.518 1.00 0.00 C ATOM 249 C VAL A 20 -6.391 -5.757 -23.464 1.00 0.00 C ATOM 250 O VAL A 20 -6.262 -6.439 -22.447 1.00 0.00 O ATOM 251 CB VAL A 20 -8.822 -6.164 -23.855 1.00 0.00 C ATOM 252 CG1 VAL A 20 -9.136 -4.843 -23.170 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.890 -6.509 -24.882 1.00 0.00 C ATOM 0 H VAL A 20 -6.790 -8.107 -24.537 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.437 -5.347 -25.293 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.814 -6.946 -23.096 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.121 -4.898 -22.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.386 -4.643 -22.404 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.126 -4.040 -23.907 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.865 -6.541 -24.396 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.899 -5.751 -25.666 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.672 -7.482 -25.321 1.00 0.00 H new ATOM 263 N THR A 21 -5.650 -4.682 -23.712 1.00 0.00 N ATOM 264 CA THR A 21 -4.618 -4.234 -22.785 1.00 0.00 C ATOM 265 C THR A 21 -4.957 -2.867 -22.203 1.00 0.00 C ATOM 266 O THR A 21 -5.750 -2.117 -22.774 1.00 0.00 O ATOM 267 CB THR A 21 -3.240 -4.161 -23.470 1.00 0.00 C ATOM 268 OG1 THR A 21 -3.039 -5.317 -24.290 1.00 0.00 O ATOM 269 CG2 THR A 21 -2.127 -4.064 -22.437 1.00 0.00 C ATOM 0 H THR A 21 -5.745 -4.105 -24.548 1.00 0.00 H new ATOM 0 HA THR A 21 -4.577 -4.968 -21.980 1.00 0.00 H new ATOM 0 HB THR A 21 -3.214 -3.267 -24.093 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.162 -5.262 -24.723 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.163 -4.014 -22.944 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.267 -3.167 -21.834 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.152 -4.942 -21.792 1.00 0.00 H new ATOM 277 N CYS A 22 -4.352 -2.546 -21.064 1.00 0.00 N ATOM 278 CA CYS A 22 -4.590 -1.268 -20.405 1.00 0.00 C ATOM 279 C CYS A 22 -3.638 -0.198 -20.933 1.00 0.00 C ATOM 280 O CYS A 22 -2.418 -0.360 -20.927 1.00 0.00 O ATOM 281 CB CYS A 22 -4.422 -1.413 -18.891 1.00 0.00 C ATOM 282 SG CYS A 22 -4.747 0.117 -17.957 1.00 0.00 S ATOM 0 H CYS A 22 -3.693 -3.154 -20.578 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.612 -0.959 -20.623 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.094 -2.193 -18.535 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.406 -1.746 -18.679 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.973 0.110 -17.526 1.00 0.00 H new ATOM 287 N PRO A 23 -4.209 0.921 -21.401 1.00 0.00 N ATOM 288 CA PRO A 23 -3.431 2.040 -21.941 1.00 0.00 C ATOM 289 C PRO A 23 -2.646 2.775 -20.861 1.00 0.00 C ATOM 290 O PRO A 23 -1.948 3.750 -21.142 1.00 0.00 O ATOM 291 CB PRO A 23 -4.498 2.957 -22.544 1.00 0.00 C ATOM 292 CG PRO A 23 -5.740 2.644 -21.782 1.00 0.00 C ATOM 293 CD PRO A 23 -5.658 1.182 -21.439 1.00 0.00 C ATOM 0 HA PRO A 23 -2.682 1.706 -22.659 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.223 4.007 -22.439 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.628 2.766 -23.609 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.809 3.253 -20.881 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.628 2.856 -22.378 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.130 0.967 -20.480 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.158 0.565 -22.186 1.00 0.00 H new ATOM 301 N ILE A 24 -2.764 2.302 -19.625 1.00 0.00 N ATOM 302 CA ILE A 24 -2.063 2.914 -18.503 1.00 0.00 C ATOM 303 C ILE A 24 -0.891 2.051 -18.049 1.00 0.00 C ATOM 304 O ILE A 24 0.271 2.418 -18.230 1.00 0.00 O ATOM 305 CB ILE A 24 -3.008 3.146 -17.308 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.922 4.342 -17.578 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.206 3.361 -16.033 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.284 4.220 -16.931 1.00 0.00 C ATOM 0 H ILE A 24 -3.338 1.497 -19.375 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.688 3.876 -18.853 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.630 2.260 -17.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.437 5.249 -17.216 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.049 4.456 -18.655 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.887 3.524 -15.198 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.593 2.481 -15.836 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.562 4.232 -16.151 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.878 5.103 -17.165 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.789 3.332 -17.311 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.167 4.137 -15.850 1.00 0.00 H new ATOM 320 N CYS A 25 -1.203 0.901 -17.461 1.00 0.00 N ATOM 321 CA CYS A 25 -0.176 -0.017 -16.983 1.00 0.00 C ATOM 322 C CYS A 25 0.370 -0.867 -18.126 1.00 0.00 C ATOM 323 O CYS A 25 1.408 -1.516 -17.992 1.00 0.00 O ATOM 324 CB CYS A 25 -0.742 -0.921 -15.885 1.00 0.00 C ATOM 325 SG CYS A 25 -2.239 -1.835 -16.374 1.00 0.00 S ATOM 0 H CYS A 25 -2.159 0.583 -17.304 1.00 0.00 H new ATOM 0 HA CYS A 25 0.642 0.575 -16.572 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.025 -1.635 -15.586 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.970 -0.313 -15.010 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.122 -1.003 -16.841 1.00 0.00 H new ATOM 330 N LEU A 26 -0.337 -0.858 -19.252 1.00 0.00 N ATOM 331 CA LEU A 26 0.076 -1.628 -20.420 1.00 0.00 C ATOM 332 C LEU A 26 0.076 -3.122 -20.115 1.00 0.00 C ATOM 333 O LEU A 26 0.924 -3.865 -20.609 1.00 0.00 O ATOM 334 CB LEU A 26 1.468 -1.189 -20.879 1.00 0.00 C ATOM 335 CG LEU A 26 1.651 0.308 -21.130 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.996 0.579 -21.786 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.517 0.847 -21.991 1.00 0.00 C ATOM 0 H LEU A 26 -1.198 -0.326 -19.380 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.640 -1.440 -21.220 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.192 -1.502 -20.127 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.711 -1.723 -21.797 1.00 0.00 H new ATOM 0 HG LEU A 26 1.628 0.823 -20.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.108 1.650 -21.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.796 0.230 -21.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.049 0.052 -22.739 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.664 1.914 -22.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.508 0.326 -22.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.434 0.687 -21.482 1.00 0.00 H new ATOM 349 N GLU A 27 -0.881 -3.555 -19.301 1.00 0.00 N ATOM 350 CA GLU A 27 -0.991 -4.962 -18.932 1.00 0.00 C ATOM 351 C GLU A 27 -2.313 -5.550 -19.418 1.00 0.00 C ATOM 352 O GLU A 27 -3.231 -4.818 -19.792 1.00 0.00 O ATOM 353 CB GLU A 27 -0.874 -5.125 -17.415 1.00 0.00 C ATOM 354 CG GLU A 27 0.408 -4.549 -16.838 1.00 0.00 C ATOM 355 CD GLU A 27 1.551 -5.546 -16.846 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.247 -5.643 -17.879 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.749 -6.229 -15.820 1.00 0.00 O ATOM 0 H GLU A 27 -1.591 -2.953 -18.885 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.175 -5.502 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.727 -4.640 -16.939 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.930 -6.185 -17.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.696 -3.667 -17.411 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.226 -4.219 -15.815 1.00 0.00 H new ATOM 364 N LEU A 28 -2.402 -6.875 -19.409 1.00 0.00 N ATOM 365 CA LEU A 28 -3.611 -7.563 -19.849 1.00 0.00 C ATOM 366 C LEU A 28 -4.820 -7.114 -19.035 1.00 0.00 C ATOM 367 O LEU A 28 -4.982 -7.503 -17.878 1.00 0.00 O ATOM 368 CB LEU A 28 -3.433 -9.077 -19.726 1.00 0.00 C ATOM 369 CG LEU A 28 -4.689 -9.921 -19.949 1.00 0.00 C ATOM 370 CD1 LEU A 28 -5.491 -9.385 -21.125 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.319 -11.380 -20.174 1.00 0.00 C ATOM 0 H LEU A 28 -1.652 -7.495 -19.102 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.785 -7.307 -20.894 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.675 -9.393 -20.443 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.043 -9.297 -18.732 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.309 -9.858 -19.054 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.381 -9.998 -21.268 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.788 -8.356 -20.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.880 -9.416 -22.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.225 -11.965 -20.331 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.678 -11.462 -21.052 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.789 -11.760 -19.301 1.00 0.00 H new ATOM 383 N LEU A 29 -5.667 -6.294 -19.647 1.00 0.00 N ATOM 384 CA LEU A 29 -6.864 -5.793 -18.980 1.00 0.00 C ATOM 385 C LEU A 29 -7.822 -6.933 -18.650 1.00 0.00 C ATOM 386 O LEU A 29 -8.455 -7.504 -19.539 1.00 0.00 O ATOM 387 CB LEU A 29 -7.568 -4.759 -19.861 1.00 0.00 C ATOM 388 CG LEU A 29 -7.180 -3.299 -19.624 1.00 0.00 C ATOM 389 CD1 LEU A 29 -8.033 -2.375 -20.478 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.316 -2.944 -18.150 1.00 0.00 C ATOM 0 H LEU A 29 -5.547 -5.962 -20.604 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.558 -5.319 -18.047 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.367 -5.003 -20.904 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.643 -4.857 -19.713 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.137 -3.168 -19.914 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.743 -1.340 -20.296 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.885 -2.613 -21.531 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.084 -2.508 -20.220 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.036 -1.901 -17.999 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.349 -3.092 -17.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.661 -3.585 -17.560 1.00 0.00 H new ATOM 402 N THR A 30 -7.925 -7.261 -17.366 1.00 0.00 N ATOM 403 CA THR A 30 -8.806 -8.332 -16.918 1.00 0.00 C ATOM 404 C THR A 30 -10.078 -7.772 -16.292 1.00 0.00 C ATOM 405 O THR A 30 -10.061 -7.288 -15.161 1.00 0.00 O ATOM 406 CB THR A 30 -8.104 -9.247 -15.897 1.00 0.00 C ATOM 407 OG1 THR A 30 -6.797 -9.595 -16.368 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.915 -10.511 -15.656 1.00 0.00 C ATOM 0 H THR A 30 -7.408 -6.800 -16.617 1.00 0.00 H new ATOM 0 HA THR A 30 -9.066 -8.917 -17.800 1.00 0.00 H new ATOM 0 HB THR A 30 -8.018 -8.705 -14.955 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.357 -10.175 -15.712 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.399 -11.141 -14.932 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.899 -10.244 -15.270 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.029 -11.055 -16.594 1.00 0.00 H new ATOM 416 N GLN A 31 -11.178 -7.842 -17.034 1.00 0.00 N ATOM 417 CA GLN A 31 -12.459 -7.342 -16.550 1.00 0.00 C ATOM 418 C GLN A 31 -12.395 -5.840 -16.295 1.00 0.00 C ATOM 419 O GLN A 31 -12.705 -5.357 -15.205 1.00 0.00 O ATOM 420 CB GLN A 31 -12.864 -8.072 -15.268 1.00 0.00 C ATOM 421 CG GLN A 31 -13.437 -9.459 -15.513 1.00 0.00 C ATOM 422 CD GLN A 31 -14.107 -10.039 -14.283 1.00 0.00 C ATOM 423 OE1 GLN A 31 -15.259 -9.724 -13.983 1.00 0.00 O ATOM 424 NE2 GLN A 31 -13.388 -10.892 -13.564 1.00 0.00 N ATOM 0 H GLN A 31 -11.208 -8.240 -17.973 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.208 -7.530 -17.319 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.993 -8.157 -14.618 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.602 -7.472 -14.736 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.160 -9.411 -16.327 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.638 -10.126 -15.836 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.437 -11.125 -13.850 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.787 -11.315 -12.726 1.00 0.00 H new ATOM 433 N PRO A 32 -11.984 -5.082 -17.322 1.00 0.00 N ATOM 434 CA PRO A 32 -11.870 -3.623 -17.233 1.00 0.00 C ATOM 435 C PRO A 32 -13.230 -2.939 -17.146 1.00 0.00 C ATOM 436 O PRO A 32 -14.266 -3.602 -17.076 1.00 0.00 O ATOM 437 CB PRO A 32 -11.163 -3.242 -18.536 1.00 0.00 C ATOM 438 CG PRO A 32 -11.495 -4.343 -19.483 1.00 0.00 C ATOM 439 CD PRO A 32 -11.599 -5.590 -18.649 1.00 0.00 C ATOM 0 HA PRO A 32 -11.337 -3.310 -16.335 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.513 -2.280 -18.909 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.086 -3.155 -18.391 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.432 -4.142 -20.002 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.724 -4.447 -20.246 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.344 -6.279 -19.047 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.653 -6.130 -18.614 1.00 0.00 H new ATOM 447 N LEU A 33 -13.221 -1.611 -17.151 1.00 0.00 N ATOM 448 CA LEU A 33 -14.455 -0.837 -17.073 1.00 0.00 C ATOM 449 C LEU A 33 -14.820 -0.255 -18.436 1.00 0.00 C ATOM 450 O LEU A 33 -13.999 -0.234 -19.353 1.00 0.00 O ATOM 451 CB LEU A 33 -14.311 0.289 -16.048 1.00 0.00 C ATOM 452 CG LEU A 33 -13.810 -0.125 -14.663 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.671 1.091 -13.761 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.748 -1.149 -14.041 1.00 0.00 C ATOM 0 H LEU A 33 -12.373 -1.047 -17.208 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.255 -1.507 -16.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.627 1.036 -16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.280 0.774 -15.932 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.827 -0.583 -14.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.314 0.777 -12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.959 1.790 -14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.640 1.578 -13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.376 -1.432 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.744 -0.717 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.797 -2.032 -14.678 1.00 0.00 H new ATOM 466 N SER A 34 -16.056 0.218 -18.560 1.00 0.00 N ATOM 467 CA SER A 34 -16.530 0.799 -19.810 1.00 0.00 C ATOM 468 C SER A 34 -16.863 2.277 -19.631 1.00 0.00 C ATOM 469 O SER A 34 -17.286 2.704 -18.556 1.00 0.00 O ATOM 470 CB SER A 34 -17.763 0.044 -20.312 1.00 0.00 C ATOM 471 OG SER A 34 -18.224 0.580 -21.540 1.00 0.00 O ATOM 0 H SER A 34 -16.747 0.210 -17.810 1.00 0.00 H new ATOM 0 HA SER A 34 -15.733 0.711 -20.548 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.520 -1.011 -20.440 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.556 0.100 -19.566 1.00 0.00 H new ATOM 0 HG SER A 34 -19.011 0.079 -21.840 1.00 0.00 H new ATOM 477 N LEU A 35 -16.668 3.053 -20.691 1.00 0.00 N ATOM 478 CA LEU A 35 -16.947 4.484 -20.653 1.00 0.00 C ATOM 479 C LEU A 35 -17.829 4.899 -21.826 1.00 0.00 C ATOM 480 O LEU A 35 -18.107 4.099 -22.720 1.00 0.00 O ATOM 481 CB LEU A 35 -15.640 5.279 -20.676 1.00 0.00 C ATOM 482 CG LEU A 35 -14.659 4.991 -19.539 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.287 5.564 -19.860 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.182 5.557 -18.227 1.00 0.00 C ATOM 0 H LEU A 35 -16.318 2.715 -21.588 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.481 4.700 -19.728 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.136 5.083 -21.622 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.884 6.341 -20.658 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.563 3.910 -19.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.602 5.349 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.909 5.111 -20.776 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.366 6.643 -19.994 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.471 5.343 -17.429 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.308 6.636 -18.321 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.142 5.099 -17.990 1.00 0.00 H new ATOM 496 N ASP A 36 -18.263 6.154 -21.819 1.00 0.00 N ATOM 497 CA ASP A 36 -19.111 6.677 -22.884 1.00 0.00 C ATOM 498 C ASP A 36 -18.267 7.291 -23.997 1.00 0.00 C ATOM 499 O ASP A 36 -18.722 8.183 -24.715 1.00 0.00 O ATOM 500 CB ASP A 36 -20.081 7.720 -22.328 1.00 0.00 C ATOM 501 CG ASP A 36 -19.387 8.752 -21.461 1.00 0.00 C ATOM 502 OD1 ASP A 36 -18.302 9.227 -21.857 1.00 0.00 O ATOM 503 OD2 ASP A 36 -19.930 9.087 -20.388 1.00 0.00 O ATOM 0 H ASP A 36 -18.042 6.829 -21.087 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.683 5.848 -23.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.583 8.223 -23.155 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.853 7.219 -21.744 1.00 0.00 H new ATOM 508 N CYS A 37 -17.037 6.810 -24.135 1.00 0.00 N ATOM 509 CA CYS A 37 -16.128 7.312 -25.159 1.00 0.00 C ATOM 510 C CYS A 37 -15.688 6.189 -26.093 1.00 0.00 C ATOM 511 O CYS A 37 -15.634 6.364 -27.310 1.00 0.00 O ATOM 512 CB CYS A 37 -14.904 7.960 -24.510 1.00 0.00 C ATOM 513 SG CYS A 37 -13.706 6.770 -23.828 1.00 0.00 S ATOM 0 H CYS A 37 -16.646 6.072 -23.550 1.00 0.00 H new ATOM 0 HA CYS A 37 -16.659 8.061 -25.746 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -14.401 8.582 -25.250 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.238 8.622 -23.711 1.00 0.00 H new ATOM 0 HG CYS A 37 -12.733 6.600 -24.674 1.00 0.00 H new ATOM 518 N GLY A 38 -15.374 5.033 -25.514 1.00 0.00 N ATOM 519 CA GLY A 38 -14.943 3.898 -26.309 1.00 0.00 C ATOM 520 C GLY A 38 -13.565 3.405 -25.916 1.00 0.00 C ATOM 521 O GLY A 38 -12.746 3.076 -26.775 1.00 0.00 O ATOM 0 H GLY A 38 -15.411 4.863 -24.509 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.662 3.086 -26.197 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.939 4.177 -27.363 1.00 0.00 H new ATOM 525 N HIS A 39 -13.306 3.354 -24.613 1.00 0.00 N ATOM 526 CA HIS A 39 -12.017 2.897 -24.106 1.00 0.00 C ATOM 527 C HIS A 39 -12.165 2.279 -22.720 1.00 0.00 C ATOM 528 O HIS A 39 -12.897 2.794 -21.875 1.00 0.00 O ATOM 529 CB HIS A 39 -11.025 4.060 -24.055 1.00 0.00 C ATOM 530 CG HIS A 39 -10.764 4.684 -25.392 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.006 6.014 -25.662 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.277 4.152 -26.537 1.00 0.00 C ATOM 533 CE1 HIS A 39 -10.682 6.273 -26.916 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.236 5.159 -27.469 1.00 0.00 N ATOM 0 H HIS A 39 -13.972 3.624 -23.889 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.638 2.134 -24.785 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.406 4.822 -23.376 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.082 3.705 -23.639 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.976 3.126 -26.689 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.767 7.232 -27.406 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.914 5.063 -28.432 1.00 0.00 H new ATOM 542 N SER A 40 -11.467 1.171 -22.493 1.00 0.00 N ATOM 543 CA SER A 40 -11.525 0.479 -21.211 1.00 0.00 C ATOM 544 C SER A 40 -10.271 0.756 -20.387 1.00 0.00 C ATOM 545 O SER A 40 -9.253 1.203 -20.916 1.00 0.00 O ATOM 546 CB SER A 40 -11.685 -1.027 -21.426 1.00 0.00 C ATOM 547 OG SER A 40 -12.415 -1.298 -22.610 1.00 0.00 O ATOM 0 H SER A 40 -10.854 0.733 -23.181 1.00 0.00 H new ATOM 0 HA SER A 40 -12.389 0.854 -20.663 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.703 -1.496 -21.485 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.197 -1.467 -20.570 1.00 0.00 H new ATOM 0 HG SER A 40 -12.502 -2.267 -22.726 1.00 0.00 H new ATOM 553 N PHE A 41 -10.353 0.488 -19.088 1.00 0.00 N ATOM 554 CA PHE A 41 -9.226 0.709 -18.189 1.00 0.00 C ATOM 555 C PHE A 41 -9.355 -0.149 -16.934 1.00 0.00 C ATOM 556 O PHE A 41 -10.308 -0.914 -16.787 1.00 0.00 O ATOM 557 CB PHE A 41 -9.136 2.187 -17.803 1.00 0.00 C ATOM 558 CG PHE A 41 -9.039 3.110 -18.984 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.170 3.456 -19.705 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.816 3.633 -19.372 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.083 4.305 -20.793 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.722 4.483 -20.458 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.857 4.819 -21.169 1.00 0.00 C ATOM 0 H PHE A 41 -11.188 0.117 -18.634 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.314 0.421 -18.712 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.013 2.455 -17.214 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.266 2.335 -17.164 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.131 3.058 -19.414 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.925 3.373 -18.819 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.972 4.566 -21.348 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.762 4.884 -20.750 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.786 5.483 -22.018 1.00 0.00 H new ATOM 573 N CYS A 42 -8.388 -0.017 -16.033 1.00 0.00 N ATOM 574 CA CYS A 42 -8.391 -0.780 -14.790 1.00 0.00 C ATOM 575 C CYS A 42 -9.166 -0.043 -13.701 1.00 0.00 C ATOM 576 O CYS A 42 -9.012 1.165 -13.527 1.00 0.00 O ATOM 577 CB CYS A 42 -6.957 -1.039 -14.324 1.00 0.00 C ATOM 578 SG CYS A 42 -5.981 -2.074 -15.462 1.00 0.00 S ATOM 0 H CYS A 42 -7.592 0.611 -16.140 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.883 -1.734 -14.979 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.450 -0.083 -14.194 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.985 -1.520 -13.346 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.477 -1.330 -16.401 1.00 0.00 H new ATOM 583 N GLN A 43 -9.997 -0.781 -12.973 1.00 0.00 N ATOM 584 CA GLN A 43 -10.797 -0.198 -11.902 1.00 0.00 C ATOM 585 C GLN A 43 -9.929 0.646 -10.973 1.00 0.00 C ATOM 586 O GLN A 43 -10.436 1.474 -10.217 1.00 0.00 O ATOM 587 CB GLN A 43 -11.499 -1.298 -11.104 1.00 0.00 C ATOM 588 CG GLN A 43 -12.251 -0.782 -9.888 1.00 0.00 C ATOM 589 CD GLN A 43 -13.448 -1.643 -9.533 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.500 -1.134 -9.146 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.293 -2.955 -9.665 1.00 0.00 N ATOM 0 H GLN A 43 -10.134 -1.783 -13.105 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.549 0.448 -12.354 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.197 -1.820 -11.758 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.758 -2.029 -10.780 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.572 -0.741 -9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.585 0.238 -10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.403 -3.333 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.064 -3.585 -9.442 1.00 0.00 H new ATOM 600 N ALA A 44 -8.620 0.430 -11.036 1.00 0.00 N ATOM 601 CA ALA A 44 -7.682 1.172 -10.202 1.00 0.00 C ATOM 602 C ALA A 44 -7.000 2.281 -10.996 1.00 0.00 C ATOM 603 O ALA A 44 -7.049 3.451 -10.615 1.00 0.00 O ATOM 604 CB ALA A 44 -6.645 0.230 -9.608 1.00 0.00 C ATOM 0 H ALA A 44 -8.184 -0.253 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.243 1.635 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.951 0.797 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.144 -0.523 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.096 -0.260 -10.412 1.00 0.00 H new ATOM 610 N CYS A 45 -6.364 1.906 -12.101 1.00 0.00 N ATOM 611 CA CYS A 45 -5.670 2.868 -12.948 1.00 0.00 C ATOM 612 C CYS A 45 -6.541 4.095 -13.203 1.00 0.00 C ATOM 613 O CYS A 45 -6.043 5.219 -13.275 1.00 0.00 O ATOM 614 CB CYS A 45 -5.281 2.220 -14.278 1.00 0.00 C ATOM 615 SG CYS A 45 -4.055 0.881 -14.123 1.00 0.00 S ATOM 0 H CYS A 45 -6.315 0.942 -12.431 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.766 3.187 -12.429 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.178 1.823 -14.753 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.883 2.988 -14.941 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.489 -0.178 -14.739 1.00 0.00 H new ATOM 620 N LEU A 46 -7.843 3.871 -13.339 1.00 0.00 N ATOM 621 CA LEU A 46 -8.784 4.958 -13.585 1.00 0.00 C ATOM 622 C LEU A 46 -8.861 5.896 -12.385 1.00 0.00 C ATOM 623 O LEU A 46 -8.781 7.116 -12.529 1.00 0.00 O ATOM 624 CB LEU A 46 -10.173 4.396 -13.897 1.00 0.00 C ATOM 625 CG LEU A 46 -10.500 4.198 -15.377 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.570 3.131 -15.549 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.947 5.510 -16.005 1.00 0.00 C ATOM 0 H LEU A 46 -8.271 2.947 -13.283 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.427 5.526 -14.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.277 3.436 -13.391 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.919 5.065 -13.467 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.597 3.863 -15.887 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.790 3.004 -16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.213 2.187 -15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.476 3.436 -15.025 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.176 5.350 -17.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.837 5.874 -15.492 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.149 6.247 -15.915 1.00 0.00 H new ATOM 639 N THR A 47 -9.013 5.317 -11.197 1.00 0.00 N ATOM 640 CA THR A 47 -9.099 6.100 -9.971 1.00 0.00 C ATOM 641 C THR A 47 -7.814 6.884 -9.729 1.00 0.00 C ATOM 642 O THR A 47 -7.851 8.034 -9.290 1.00 0.00 O ATOM 643 CB THR A 47 -9.378 5.203 -8.750 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.577 4.449 -8.960 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.512 6.038 -7.485 1.00 0.00 C ATOM 0 H THR A 47 -9.079 4.309 -11.059 1.00 0.00 H new ATOM 0 HA THR A 47 -9.928 6.796 -10.098 1.00 0.00 H new ATOM 0 HB THR A 47 -8.537 4.520 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.355 3.590 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.709 5.383 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.587 6.588 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.337 6.742 -7.599 1.00 0.00 H new ATOM 653 N ALA A 48 -6.679 6.256 -10.017 1.00 0.00 N ATOM 654 CA ALA A 48 -5.383 6.897 -9.833 1.00 0.00 C ATOM 655 C ALA A 48 -5.168 8.006 -10.858 1.00 0.00 C ATOM 656 O ALA A 48 -4.729 9.102 -10.516 1.00 0.00 O ATOM 657 CB ALA A 48 -4.267 5.866 -9.926 1.00 0.00 C ATOM 0 H ALA A 48 -6.631 5.304 -10.379 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.366 7.347 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.304 6.358 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.404 5.111 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.293 5.390 -10.906 1.00 0.00 H new ATOM 663 N ASN A 49 -5.480 7.711 -12.116 1.00 0.00 N ATOM 664 CA ASN A 49 -5.320 8.684 -13.191 1.00 0.00 C ATOM 665 C ASN A 49 -6.177 9.920 -12.938 1.00 0.00 C ATOM 666 O ASN A 49 -5.768 11.043 -13.235 1.00 0.00 O ATOM 667 CB ASN A 49 -5.694 8.056 -14.535 1.00 0.00 C ATOM 668 CG ASN A 49 -5.405 8.977 -15.704 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.251 8.919 -16.726 1.00 0.00 O flip ATOM 670 ND2 ASN A 49 -4.433 9.732 -15.688 1.00 0.00 N flip ATOM 0 H ASN A 49 -5.845 6.807 -12.416 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.274 8.989 -13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.142 7.125 -14.664 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.754 7.800 -14.531 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.809 9.743 -14.881 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.251 10.347 -16.482 1.00 0.00 H new ATOM 677 N HIS A 50 -7.368 9.706 -12.387 1.00 0.00 N ATOM 678 CA HIS A 50 -8.282 10.803 -12.093 1.00 0.00 C ATOM 679 C HIS A 50 -7.683 11.746 -11.054 1.00 0.00 C ATOM 680 O HIS A 50 -7.514 12.939 -11.307 1.00 0.00 O ATOM 681 CB HIS A 50 -9.621 10.259 -11.593 1.00 0.00 C ATOM 682 CG HIS A 50 -10.304 9.356 -12.573 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.437 8.632 -12.267 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.008 9.062 -13.861 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.808 7.931 -13.323 1.00 0.00 C ATOM 686 NE2 HIS A 50 -10.958 8.174 -14.304 1.00 0.00 N ATOM 0 H HIS A 50 -7.722 8.783 -12.135 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.446 11.363 -13.014 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.458 9.715 -10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.280 11.096 -11.362 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.914 8.637 -11.366 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.180 9.453 -14.433 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.661 7.271 -13.375 1.00 0.00 H new ATOM 694 N LYS A 51 -7.365 11.204 -9.883 1.00 0.00 N ATOM 695 CA LYS A 51 -6.784 11.995 -8.805 1.00 0.00 C ATOM 696 C LYS A 51 -5.603 12.818 -9.310 1.00 0.00 C ATOM 697 O LYS A 51 -5.482 14.004 -9.001 1.00 0.00 O ATOM 698 CB LYS A 51 -6.333 11.084 -7.662 1.00 0.00 C ATOM 699 CG LYS A 51 -7.461 10.271 -7.051 1.00 0.00 C ATOM 700 CD LYS A 51 -6.953 9.349 -5.954 1.00 0.00 C ATOM 701 CE LYS A 51 -6.185 8.169 -6.529 1.00 0.00 C ATOM 702 NZ LYS A 51 -4.758 8.509 -6.788 1.00 0.00 N ATOM 0 H LYS A 51 -7.500 10.219 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.549 12.678 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.565 10.404 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.872 11.692 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.215 10.943 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.947 9.681 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.308 9.909 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.795 8.985 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.238 7.329 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.656 7.847 -7.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.154 7.712 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.625 8.699 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.497 9.354 -6.240 1.00 0.00 H new ATOM 716 N LYS A 52 -4.735 12.183 -10.089 1.00 0.00 N ATOM 717 CA LYS A 52 -3.565 12.856 -10.640 1.00 0.00 C ATOM 718 C LYS A 52 -3.949 14.197 -11.258 1.00 0.00 C ATOM 719 O LYS A 52 -3.474 15.248 -10.828 1.00 0.00 O ATOM 720 CB LYS A 52 -2.890 11.973 -11.692 1.00 0.00 C ATOM 721 CG LYS A 52 -1.980 12.739 -12.637 1.00 0.00 C ATOM 722 CD LYS A 52 -0.709 13.194 -11.940 1.00 0.00 C ATOM 723 CE LYS A 52 -0.892 14.549 -11.275 1.00 0.00 C ATOM 724 NZ LYS A 52 0.403 15.266 -11.110 1.00 0.00 N ATOM 0 H LYS A 52 -4.820 11.202 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.865 13.038 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.309 11.201 -11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.658 11.464 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.724 12.108 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.510 13.606 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.419 12.456 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.104 13.250 -12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.571 15.158 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.359 14.415 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.235 16.185 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.042 14.697 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.837 15.417 -12.043 1.00 0.00 H new ATOM 738 N SER A 53 -4.812 14.153 -12.267 1.00 0.00 N ATOM 739 CA SER A 53 -5.258 15.364 -12.946 1.00 0.00 C ATOM 740 C SER A 53 -6.406 16.021 -12.185 1.00 0.00 C ATOM 741 O SER A 53 -7.257 16.685 -12.777 1.00 0.00 O ATOM 742 CB SER A 53 -5.697 15.041 -14.375 1.00 0.00 C ATOM 743 OG SER A 53 -6.076 16.217 -15.070 1.00 0.00 O ATOM 0 H SER A 53 -5.217 13.291 -12.633 1.00 0.00 H new ATOM 0 HA SER A 53 -4.421 16.061 -12.980 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.883 14.547 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.533 14.342 -14.353 1.00 0.00 H new ATOM 0 HG SER A 53 -6.715 16.725 -14.529 1.00 0.00 H new ATOM 749 N MET A 54 -6.423 15.829 -10.870 1.00 0.00 N ATOM 750 CA MET A 54 -7.466 16.404 -10.028 1.00 0.00 C ATOM 751 C MET A 54 -6.945 17.623 -9.273 1.00 0.00 C ATOM 752 O MET A 54 -7.724 18.429 -8.763 1.00 0.00 O ATOM 753 CB MET A 54 -7.984 15.359 -9.038 1.00 0.00 C ATOM 754 CG MET A 54 -9.347 15.697 -8.456 1.00 0.00 C ATOM 755 SD MET A 54 -10.698 14.894 -9.340 1.00 0.00 S ATOM 756 CE MET A 54 -10.321 15.359 -11.028 1.00 0.00 C ATOM 0 H MET A 54 -5.727 15.280 -10.365 1.00 0.00 H new ATOM 0 HA MET A 54 -8.286 16.722 -10.673 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.041 14.393 -9.539 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.266 15.254 -8.224 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.375 15.398 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.492 16.777 -8.483 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.134 15.043 -11.682 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.205 16.441 -11.090 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.395 14.876 -11.340 1.00 0.00 H new ATOM 766 N LEU A 55 -5.624 17.751 -9.206 1.00 0.00 N ATOM 767 CA LEU A 55 -4.999 18.872 -8.513 1.00 0.00 C ATOM 768 C LEU A 55 -4.478 19.905 -9.507 1.00 0.00 C ATOM 769 O LEU A 55 -4.897 21.063 -9.492 1.00 0.00 O ATOM 770 CB LEU A 55 -3.854 18.376 -7.628 1.00 0.00 C ATOM 771 CG LEU A 55 -4.216 17.301 -6.603 1.00 0.00 C ATOM 772 CD1 LEU A 55 -4.064 15.914 -7.208 1.00 0.00 C ATOM 773 CD2 LEU A 55 -3.352 17.439 -5.358 1.00 0.00 C ATOM 0 H LEU A 55 -4.966 17.093 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.755 19.347 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.067 17.985 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.436 19.231 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.258 17.437 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.326 15.162 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.725 15.818 -8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.032 15.767 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.623 16.666 -4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.302 17.329 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.511 18.421 -4.912 1.00 0.00 H new ATOM 785 N ASP A 56 -3.564 19.478 -10.371 1.00 0.00 N ATOM 786 CA ASP A 56 -2.987 20.364 -11.375 1.00 0.00 C ATOM 787 C ASP A 56 -4.081 21.023 -12.210 1.00 0.00 C ATOM 788 O ASP A 56 -4.356 22.214 -12.064 1.00 0.00 O ATOM 789 CB ASP A 56 -2.033 19.588 -12.284 1.00 0.00 C ATOM 790 CG ASP A 56 -1.225 20.498 -13.188 1.00 0.00 C ATOM 791 OD1 ASP A 56 -0.764 21.555 -12.708 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.054 20.154 -14.376 1.00 0.00 O ATOM 0 H ASP A 56 -3.206 18.523 -10.396 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.429 21.144 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.355 18.994 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.605 18.889 -12.894 1.00 0.00 H new ATOM 797 N LYS A 57 -4.701 20.241 -13.087 1.00 0.00 N ATOM 798 CA LYS A 57 -5.765 20.747 -13.946 1.00 0.00 C ATOM 799 C LYS A 57 -7.026 21.037 -13.138 1.00 0.00 C ATOM 800 O LYS A 57 -7.480 22.178 -13.066 1.00 0.00 O ATOM 801 CB LYS A 57 -6.078 19.738 -15.054 1.00 0.00 C ATOM 802 CG LYS A 57 -4.869 19.364 -15.895 1.00 0.00 C ATOM 803 CD LYS A 57 -4.715 20.290 -17.090 1.00 0.00 C ATOM 804 CE LYS A 57 -3.255 20.448 -17.487 1.00 0.00 C ATOM 805 NZ LYS A 57 -3.066 21.539 -18.483 1.00 0.00 N ATOM 0 H LYS A 57 -4.485 19.253 -13.222 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.421 21.678 -14.397 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.491 18.835 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.848 20.152 -15.704 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.970 19.408 -15.281 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.969 18.335 -16.241 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.282 19.895 -17.933 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.136 21.267 -16.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.658 20.659 -16.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.888 19.509 -17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.058 21.615 -18.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.615 21.326 -19.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.393 22.439 -18.078 1.00 0.00 H new ATOM 819 N GLY A 58 -7.586 19.996 -12.529 1.00 0.00 N ATOM 820 CA GLY A 58 -8.788 20.160 -11.732 1.00 0.00 C ATOM 821 C GLY A 58 -9.886 19.197 -12.135 1.00 0.00 C ATOM 822 O GLY A 58 -10.808 18.940 -11.362 1.00 0.00 O ATOM 0 H GLY A 58 -7.229 19.042 -12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.546 20.010 -10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.151 21.183 -11.833 1.00 0.00 H new ATOM 826 N GLU A 59 -9.789 18.664 -13.349 1.00 0.00 N ATOM 827 CA GLU A 59 -10.784 17.725 -13.852 1.00 0.00 C ATOM 828 C GLU A 59 -10.149 16.718 -14.806 1.00 0.00 C ATOM 829 O GLU A 59 -9.770 17.060 -15.926 1.00 0.00 O ATOM 830 CB GLU A 59 -11.912 18.476 -14.564 1.00 0.00 C ATOM 831 CG GLU A 59 -11.422 19.448 -15.624 1.00 0.00 C ATOM 832 CD GLU A 59 -12.544 20.276 -16.219 1.00 0.00 C ATOM 833 OE1 GLU A 59 -13.304 19.735 -17.050 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.662 21.465 -15.856 1.00 0.00 O ATOM 0 H GLU A 59 -9.032 18.867 -14.002 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.197 17.183 -13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.582 17.753 -15.028 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.497 19.023 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.678 20.113 -15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.924 18.892 -16.419 1.00 0.00 H new ATOM 841 N SER A 60 -10.035 15.473 -14.353 1.00 0.00 N ATOM 842 CA SER A 60 -9.442 14.416 -15.163 1.00 0.00 C ATOM 843 C SER A 60 -10.178 14.271 -16.492 1.00 0.00 C ATOM 844 O SER A 60 -11.138 14.993 -16.764 1.00 0.00 O ATOM 845 CB SER A 60 -9.468 13.087 -14.405 1.00 0.00 C ATOM 846 OG SER A 60 -8.752 12.086 -15.106 1.00 0.00 O ATOM 0 H SER A 60 -10.346 15.172 -13.429 1.00 0.00 H new ATOM 0 HA SER A 60 -8.407 14.688 -15.369 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.035 13.222 -13.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.500 12.767 -14.261 1.00 0.00 H new ATOM 0 HG SER A 60 -9.354 11.343 -15.320 1.00 0.00 H new ATOM 852 N SER A 61 -9.721 13.333 -17.315 1.00 0.00 N ATOM 853 CA SER A 61 -10.333 13.095 -18.617 1.00 0.00 C ATOM 854 C SER A 61 -9.692 11.896 -19.308 1.00 0.00 C ATOM 855 O SER A 61 -8.491 11.658 -19.176 1.00 0.00 O ATOM 856 CB SER A 61 -10.202 14.337 -19.501 1.00 0.00 C ATOM 857 OG SER A 61 -8.841 14.640 -19.755 1.00 0.00 O ATOM 0 H SER A 61 -8.929 12.726 -17.104 1.00 0.00 H new ATOM 0 HA SER A 61 -11.390 12.879 -18.459 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.724 14.173 -20.444 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.682 15.186 -19.015 1.00 0.00 H new ATOM 0 HG SER A 61 -8.784 15.436 -20.323 1.00 0.00 H new ATOM 863 N CYS A 62 -10.502 11.142 -20.044 1.00 0.00 N ATOM 864 CA CYS A 62 -10.016 9.966 -20.756 1.00 0.00 C ATOM 865 C CYS A 62 -8.581 10.173 -21.233 1.00 0.00 C ATOM 866 O CYS A 62 -8.299 11.015 -22.086 1.00 0.00 O ATOM 867 CB CYS A 62 -10.922 9.656 -21.950 1.00 0.00 C ATOM 868 SG CYS A 62 -10.453 8.155 -22.868 1.00 0.00 S ATOM 0 H CYS A 62 -11.498 11.325 -20.163 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.033 9.122 -20.066 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -11.947 9.547 -21.596 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -10.909 10.506 -22.633 1.00 0.00 H new ATOM 0 HG CYS A 62 -11.525 7.544 -23.278 1.00 0.00 H new ATOM 873 N PRO A 63 -7.651 9.387 -20.670 1.00 0.00 N ATOM 874 CA PRO A 63 -6.230 9.465 -21.022 1.00 0.00 C ATOM 875 C PRO A 63 -5.954 8.950 -22.431 1.00 0.00 C ATOM 876 O PRO A 63 -4.801 8.748 -22.813 1.00 0.00 O ATOM 877 CB PRO A 63 -5.558 8.566 -19.982 1.00 0.00 C ATOM 878 CG PRO A 63 -6.619 7.605 -19.569 1.00 0.00 C ATOM 879 CD PRO A 63 -7.916 8.362 -19.646 1.00 0.00 C ATOM 0 HA PRO A 63 -5.864 10.492 -21.018 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.697 8.048 -20.404 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.196 9.145 -19.133 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.635 6.735 -20.226 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.441 7.238 -18.558 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.744 7.713 -19.931 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.178 8.810 -18.687 1.00 0.00 H new ATOM 887 N VAL A 64 -7.018 8.739 -23.199 1.00 0.00 N ATOM 888 CA VAL A 64 -6.889 8.249 -24.566 1.00 0.00 C ATOM 889 C VAL A 64 -7.394 9.280 -25.569 1.00 0.00 C ATOM 890 O VAL A 64 -6.653 9.724 -26.446 1.00 0.00 O ATOM 891 CB VAL A 64 -7.664 6.933 -24.765 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.559 6.465 -26.209 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.152 5.864 -23.812 1.00 0.00 C ATOM 0 H VAL A 64 -7.979 8.900 -22.898 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.828 8.067 -24.739 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.715 7.113 -24.541 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.113 5.534 -26.331 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.977 7.225 -26.869 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.512 6.300 -26.463 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.711 4.941 -23.966 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.094 5.684 -24.002 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.284 6.200 -22.784 1.00 0.00 H new ATOM 903 N CYS A 65 -8.660 9.659 -25.433 1.00 0.00 N ATOM 904 CA CYS A 65 -9.266 10.638 -26.327 1.00 0.00 C ATOM 905 C CYS A 65 -9.621 11.917 -25.574 1.00 0.00 C ATOM 906 O CYS A 65 -9.836 12.967 -26.179 1.00 0.00 O ATOM 907 CB CYS A 65 -10.520 10.055 -26.982 1.00 0.00 C ATOM 908 SG CYS A 65 -11.836 9.611 -25.804 1.00 0.00 S ATOM 0 H CYS A 65 -9.287 9.303 -24.711 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.539 10.883 -27.102 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.914 10.779 -27.695 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.241 9.168 -27.550 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.307 9.080 -24.742 1.00 0.00 H new ATOM 913 N ARG A 66 -9.679 11.819 -24.249 1.00 0.00 N ATOM 914 CA ARG A 66 -10.008 12.967 -23.413 1.00 0.00 C ATOM 915 C ARG A 66 -11.335 13.588 -23.838 1.00 0.00 C ATOM 916 O ARG A 66 -11.416 14.790 -24.092 1.00 0.00 O ATOM 917 CB ARG A 66 -8.895 14.015 -23.487 1.00 0.00 C ATOM 918 CG ARG A 66 -7.758 13.766 -22.510 1.00 0.00 C ATOM 919 CD ARG A 66 -6.679 12.887 -23.123 1.00 0.00 C ATOM 920 NE ARG A 66 -5.786 13.644 -23.995 1.00 0.00 N ATOM 921 CZ ARG A 66 -4.547 13.263 -24.286 1.00 0.00 C ATOM 922 NH1 ARG A 66 -4.057 12.141 -23.777 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.795 14.006 -25.088 1.00 0.00 N ATOM 0 H ARG A 66 -9.503 10.957 -23.733 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.103 12.619 -22.384 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.494 14.036 -24.500 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.321 14.999 -23.292 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.324 14.718 -22.205 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.148 13.291 -21.610 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.098 12.419 -22.328 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.146 12.083 -23.692 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.132 14.512 -24.403 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.632 11.567 -23.160 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.105 11.852 -24.003 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.168 14.870 -25.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.844 13.713 -25.311 1.00 0.00 H new ATOM 937 N ILE A 67 -12.372 12.760 -23.914 1.00 0.00 N ATOM 938 CA ILE A 67 -13.695 13.228 -24.309 1.00 0.00 C ATOM 939 C ILE A 67 -14.405 13.911 -23.145 1.00 0.00 C ATOM 940 O ILE A 67 -13.987 13.793 -21.993 1.00 0.00 O ATOM 941 CB ILE A 67 -14.571 12.070 -24.822 1.00 0.00 C ATOM 942 CG1 ILE A 67 -15.780 12.616 -25.585 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.021 11.192 -23.664 1.00 0.00 C ATOM 944 CD1 ILE A 67 -16.450 11.589 -26.470 1.00 0.00 C ATOM 0 H ILE A 67 -12.321 11.762 -23.707 1.00 0.00 H new ATOM 0 HA ILE A 67 -13.549 13.947 -25.115 1.00 0.00 H new ATOM 0 HB ILE A 67 -13.979 11.461 -25.505 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -16.508 12.998 -24.870 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -15.462 13.460 -26.198 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.639 10.378 -24.043 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.147 10.779 -23.159 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.599 11.789 -22.958 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -17.298 12.046 -26.980 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -15.736 11.224 -27.209 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.799 10.756 -25.860 1.00 0.00 H new ATOM 956 N SER A 68 -15.484 14.624 -23.454 1.00 0.00 N ATOM 957 CA SER A 68 -16.252 15.328 -22.435 1.00 0.00 C ATOM 958 C SER A 68 -17.225 14.382 -21.738 1.00 0.00 C ATOM 959 O SER A 68 -18.346 14.174 -22.203 1.00 0.00 O ATOM 960 CB SER A 68 -17.018 16.496 -23.059 1.00 0.00 C ATOM 961 OG SER A 68 -16.190 17.639 -23.186 1.00 0.00 O ATOM 0 H SER A 68 -15.845 14.729 -24.402 1.00 0.00 H new ATOM 0 HA SER A 68 -15.554 15.716 -21.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.395 16.205 -24.040 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.884 16.737 -22.443 1.00 0.00 H new ATOM 0 HG SER A 68 -16.702 18.371 -23.589 1.00 0.00 H new ATOM 967 N TYR A 69 -16.788 13.812 -20.620 1.00 0.00 N ATOM 968 CA TYR A 69 -17.619 12.886 -19.860 1.00 0.00 C ATOM 969 C TYR A 69 -17.460 13.118 -18.360 1.00 0.00 C ATOM 970 O TYR A 69 -16.547 13.818 -17.923 1.00 0.00 O ATOM 971 CB TYR A 69 -17.255 11.441 -20.205 1.00 0.00 C ATOM 972 CG TYR A 69 -16.094 10.900 -19.402 1.00 0.00 C ATOM 973 CD1 TYR A 69 -14.859 11.538 -19.413 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.231 9.751 -18.633 1.00 0.00 C ATOM 975 CE1 TYR A 69 -13.795 11.047 -18.682 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.172 9.254 -17.897 1.00 0.00 C ATOM 977 CZ TYR A 69 -13.957 9.905 -17.925 1.00 0.00 C ATOM 978 OH TYR A 69 -12.899 9.413 -17.194 1.00 0.00 O ATOM 0 H TYR A 69 -15.864 13.975 -20.220 1.00 0.00 H new ATOM 0 HA TYR A 69 -18.660 13.066 -20.129 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.126 10.807 -20.041 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.012 11.380 -21.266 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -14.729 12.433 -20.003 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.181 9.238 -18.610 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.842 11.554 -18.703 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.296 8.360 -17.303 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.179 8.605 -16.716 1.00 0.00 H new ATOM 988 N GLN A 70 -18.355 12.524 -17.578 1.00 0.00 N ATOM 989 CA GLN A 70 -18.315 12.665 -16.127 1.00 0.00 C ATOM 990 C GLN A 70 -17.997 11.331 -15.459 1.00 0.00 C ATOM 991 O GLN A 70 -18.690 10.332 -15.653 1.00 0.00 O ATOM 992 CB GLN A 70 -19.650 13.203 -15.609 1.00 0.00 C ATOM 993 CG GLN A 70 -19.811 14.704 -15.788 1.00 0.00 C ATOM 994 CD GLN A 70 -19.791 15.124 -17.244 1.00 0.00 C ATOM 995 OE1 GLN A 70 -18.850 15.772 -17.703 1.00 0.00 O ATOM 996 NE2 GLN A 70 -20.833 14.755 -17.981 1.00 0.00 N ATOM 0 H GLN A 70 -19.117 11.941 -17.924 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.525 13.373 -15.877 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.463 12.694 -16.127 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.745 12.959 -14.551 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.750 15.021 -15.335 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.011 15.217 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.591 14.218 -17.560 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.875 15.008 -18.968 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.925 11.313 -14.653 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.491 10.108 -13.940 1.00 0.00 C ATOM 1007 C PRO A 71 -17.456 9.714 -12.827 1.00 0.00 C ATOM 1008 O PRO A 71 -17.336 8.639 -12.241 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.136 10.511 -13.355 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.202 11.994 -13.231 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.054 12.467 -14.376 1.00 0.00 C ATOM 0 HA PRO A 71 -16.446 9.240 -14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.967 10.040 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.317 10.204 -14.006 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.636 12.287 -12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.206 12.434 -13.278 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.632 13.351 -14.108 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.450 12.732 -15.244 1.00 0.00 H new ATOM 1019 N GLU A 72 -18.414 10.591 -12.542 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.399 10.334 -11.499 1.00 0.00 C ATOM 1021 C GLU A 72 -20.435 9.316 -11.968 1.00 0.00 C ATOM 1022 O GLU A 72 -20.748 8.361 -11.258 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.095 11.634 -11.091 1.00 0.00 C ATOM 1024 CG GLU A 72 -20.659 11.606 -9.681 1.00 0.00 C ATOM 1025 CD GLU A 72 -21.986 10.875 -9.598 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -22.666 10.762 -10.639 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -22.343 10.416 -8.493 1.00 0.00 O ATOM 0 H GLU A 72 -18.528 11.485 -13.019 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.876 9.924 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.385 12.457 -11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.904 11.839 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.941 11.125 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.788 12.628 -9.325 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.964 9.528 -13.169 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.965 8.631 -13.733 1.00 0.00 C ATOM 1036 C ASN A 73 -21.308 7.554 -14.591 1.00 0.00 C ATOM 1037 O ASN A 73 -21.259 7.666 -15.816 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.974 9.420 -14.569 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.328 10.565 -15.326 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -22.189 11.670 -14.801 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -21.930 10.305 -16.566 1.00 0.00 N ATOM 0 H ASN A 73 -20.716 10.314 -13.770 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.487 8.145 -12.909 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.460 8.748 -15.277 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.754 9.813 -13.917 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -21.489 11.036 -17.124 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.065 9.374 -16.961 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.805 6.511 -13.939 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.153 5.413 -14.642 1.00 0.00 C ATOM 1050 C ILE A 74 -20.217 4.124 -13.829 1.00 0.00 C ATOM 1051 O ILE A 74 -20.200 4.154 -12.599 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.681 5.739 -14.953 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.583 7.022 -15.781 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.024 4.578 -15.685 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.165 7.393 -16.155 1.00 0.00 C ATOM 0 H ILE A 74 -20.837 6.403 -12.925 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.691 5.275 -15.580 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.153 5.895 -14.012 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.171 6.903 -16.691 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.028 7.843 -15.219 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.984 4.824 -15.898 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.066 3.685 -15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.552 4.392 -16.621 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.172 8.312 -16.741 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.578 7.544 -15.249 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.722 6.590 -16.745 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.288 2.995 -14.526 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.353 1.695 -13.868 1.00 0.00 C ATOM 1069 C ARG A 75 -19.899 0.585 -14.812 1.00 0.00 C ATOM 1070 O ARG A 75 -20.012 0.690 -16.033 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.777 1.416 -13.384 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.778 1.225 -14.512 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.203 1.469 -14.040 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.185 0.833 -14.913 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.398 0.469 -14.512 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.776 0.677 -13.258 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -27.236 -0.105 -15.366 1.00 0.00 N ATOM 0 H ARG A 75 -20.302 2.954 -15.545 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.682 1.716 -13.009 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.771 0.522 -12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.106 2.242 -12.754 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.542 1.907 -15.329 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.693 0.213 -14.908 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.319 1.088 -13.025 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.393 2.542 -14.001 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.926 0.659 -15.884 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.135 1.118 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.708 0.396 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.949 -0.267 -16.331 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.167 -0.384 -15.057 1.00 0.00 H new