USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=20 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 37 CYS SG : rot 97:sc= 0.654 USER MOD Set 1.2: A 39 HIS : no HD1:sc= -3.11! X(o=-0.14!,f=-0.14) USER MOD Set 1.3: A 62 CYS SG : rot 143:sc= 1.55 USER MOD Set 1.4: A 65 CYS SG : rot -45:sc= 0.772 USER MOD Set 2.1: A 22 CYS SG : rot 101:sc= 0.467! USER MOD Set 2.2: A 25 CYS SG : rot -59:sc= -0.808 USER MOD Set 2.3: A 42 CYS SG : rot 85:sc= -2.12! USER MOD Set 2.4: A 45 CYS SG : rot 126:sc= -1.13 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= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 47 THR OG1 : rot 94:sc= 0.0571 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.63 X(o=-2.6,f=-2.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0.842 (180deg=0.733) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 140:sc= -0.471 (180deg=-2.54!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 33:sc= 0.469 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= -0.143 K(o=-0.14,f=-2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -6.030 -9.416 -26.486 1.00 0.00 N ATOM 233 CA GLU A 19 -7.235 -8.882 -27.109 1.00 0.00 C ATOM 234 C GLU A 19 -7.574 -7.504 -26.547 1.00 0.00 C ATOM 235 O GLU A 19 -8.018 -6.616 -27.275 1.00 0.00 O ATOM 236 CB GLU A 19 -8.412 -9.835 -26.895 1.00 0.00 C ATOM 237 CG GLU A 19 -8.732 -10.088 -25.431 1.00 0.00 C ATOM 238 CD GLU A 19 -10.035 -10.840 -25.240 1.00 0.00 C ATOM 239 OE1 GLU A 19 -11.084 -10.332 -25.688 1.00 0.00 O ATOM 240 OE2 GLU A 19 -10.005 -11.936 -24.642 1.00 0.00 O ATOM 0 HA GLU A 19 -7.046 -8.783 -28.178 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.295 -9.425 -27.385 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.191 -10.786 -27.380 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.919 -10.656 -24.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.786 -9.135 -24.905 1.00 0.00 H new ATOM 247 N VAL A 20 -7.360 -7.333 -25.246 1.00 0.00 N ATOM 248 CA VAL A 20 -7.642 -6.064 -24.585 1.00 0.00 C ATOM 249 C VAL A 20 -6.508 -5.670 -23.646 1.00 0.00 C ATOM 250 O VAL A 20 -6.106 -6.447 -22.778 1.00 0.00 O ATOM 251 CB VAL A 20 -8.957 -6.127 -23.786 1.00 0.00 C ATOM 252 CG1 VAL A 20 -9.238 -4.792 -23.114 1.00 0.00 C ATOM 253 CG2 VAL A 20 -10.111 -6.530 -24.692 1.00 0.00 C ATOM 0 H VAL A 20 -6.992 -8.057 -24.629 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.738 -5.313 -25.369 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.854 -6.883 -23.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.171 -4.856 -22.554 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.422 -4.548 -22.433 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.322 -4.014 -23.872 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.033 -6.570 -24.111 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.218 -5.798 -25.493 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.910 -7.511 -25.122 1.00 0.00 H new ATOM 263 N THR A 21 -5.994 -4.457 -23.823 1.00 0.00 N ATOM 264 CA THR A 21 -4.905 -3.959 -22.992 1.00 0.00 C ATOM 265 C THR A 21 -5.246 -2.598 -22.397 1.00 0.00 C ATOM 266 O THR A 21 -6.024 -1.836 -22.971 1.00 0.00 O ATOM 267 CB THR A 21 -3.594 -3.844 -23.793 1.00 0.00 C ATOM 268 OG1 THR A 21 -3.406 -5.014 -24.596 1.00 0.00 O ATOM 269 CG2 THR A 21 -2.405 -3.665 -22.862 1.00 0.00 C ATOM 0 H THR A 21 -6.315 -3.801 -24.535 1.00 0.00 H new ATOM 0 HA THR A 21 -4.767 -4.680 -22.186 1.00 0.00 H new ATOM 0 HB THR A 21 -3.664 -2.969 -24.439 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.571 -4.932 -25.103 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.491 -3.586 -23.450 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.537 -2.757 -22.273 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.334 -4.523 -22.194 1.00 0.00 H new ATOM 277 N CYS A 22 -4.658 -2.297 -21.244 1.00 0.00 N ATOM 278 CA CYS A 22 -4.898 -1.027 -20.571 1.00 0.00 C ATOM 279 C CYS A 22 -4.018 0.074 -21.156 1.00 0.00 C ATOM 280 O CYS A 22 -2.793 -0.032 -21.195 1.00 0.00 O ATOM 281 CB CYS A 22 -4.633 -1.163 -19.070 1.00 0.00 C ATOM 282 SG CYS A 22 -4.931 0.363 -18.121 1.00 0.00 S ATOM 0 H CYS A 22 -4.011 -2.917 -20.756 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.942 -0.754 -20.726 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.266 -1.956 -18.671 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.599 -1.475 -18.921 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.085 0.287 -17.528 1.00 0.00 H new ATOM 287 N PRO A 23 -4.658 1.157 -21.621 1.00 0.00 N ATOM 288 CA PRO A 23 -3.954 2.299 -22.212 1.00 0.00 C ATOM 289 C PRO A 23 -3.162 3.091 -21.176 1.00 0.00 C ATOM 290 O PRO A 23 -2.518 4.088 -21.503 1.00 0.00 O ATOM 291 CB PRO A 23 -5.085 3.154 -22.788 1.00 0.00 C ATOM 292 CG PRO A 23 -6.280 2.800 -21.972 1.00 0.00 C ATOM 293 CD PRO A 23 -6.118 1.351 -21.606 1.00 0.00 C ATOM 0 HA PRO A 23 -3.219 1.985 -22.953 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.855 4.217 -22.713 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.248 2.936 -23.844 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.342 3.423 -21.080 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.199 2.959 -22.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.542 1.134 -20.626 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.618 0.698 -22.321 1.00 0.00 H new ATOM 301 N ILE A 24 -3.214 2.640 -19.928 1.00 0.00 N ATOM 302 CA ILE A 24 -2.500 3.305 -18.845 1.00 0.00 C ATOM 303 C ILE A 24 -1.262 2.514 -18.435 1.00 0.00 C ATOM 304 O ILE A 24 -0.132 2.951 -18.654 1.00 0.00 O ATOM 305 CB ILE A 24 -3.402 3.502 -17.613 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.432 4.602 -17.877 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.562 3.838 -16.390 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.707 4.441 -17.079 1.00 0.00 C ATOM 0 H ILE A 24 -3.743 1.817 -19.641 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.195 4.282 -19.221 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.935 2.571 -17.419 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.987 5.569 -17.643 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.677 4.612 -18.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.214 3.974 -15.527 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.865 3.024 -16.193 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.005 4.757 -16.573 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.391 5.256 -17.317 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.176 3.489 -17.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.475 4.461 -16.014 1.00 0.00 H new ATOM 320 N CYS A 25 -1.483 1.347 -17.839 1.00 0.00 N ATOM 321 CA CYS A 25 -0.387 0.493 -17.399 1.00 0.00 C ATOM 322 C CYS A 25 0.133 -0.362 -18.551 1.00 0.00 C ATOM 323 O CYS A 25 1.159 -1.033 -18.427 1.00 0.00 O ATOM 324 CB CYS A 25 -0.844 -0.406 -16.248 1.00 0.00 C ATOM 325 SG CYS A 25 -2.262 -1.474 -16.657 1.00 0.00 S ATOM 0 H CYS A 25 -2.412 0.971 -17.650 1.00 0.00 H new ATOM 0 HA CYS A 25 0.423 1.134 -17.051 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.008 -1.033 -15.937 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.108 0.220 -15.395 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.274 -0.737 -17.007 1.00 0.00 H new ATOM 330 N LEU A 26 -0.581 -0.332 -19.671 1.00 0.00 N ATOM 331 CA LEU A 26 -0.192 -1.104 -20.846 1.00 0.00 C ATOM 332 C LEU A 26 -0.129 -2.593 -20.524 1.00 0.00 C ATOM 333 O LEU A 26 0.620 -3.342 -21.151 1.00 0.00 O ATOM 334 CB LEU A 26 1.164 -0.626 -21.369 1.00 0.00 C ATOM 335 CG LEU A 26 1.251 0.850 -21.757 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.528 1.123 -22.537 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.031 1.261 -22.569 1.00 0.00 C ATOM 0 H LEU A 26 -1.432 0.218 -19.790 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.947 -0.950 -21.617 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.916 -0.825 -20.606 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.427 -1.226 -22.240 1.00 0.00 H new ATOM 0 HG LEU A 26 1.273 1.445 -20.844 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.572 2.179 -22.804 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.391 0.868 -21.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.537 0.518 -23.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.110 2.315 -22.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.022 0.659 -23.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.870 1.104 -21.977 1.00 0.00 H new ATOM 349 N GLU A 27 -0.921 -3.015 -19.543 1.00 0.00 N ATOM 350 CA GLU A 27 -0.955 -4.416 -19.139 1.00 0.00 C ATOM 351 C GLU A 27 -2.263 -5.075 -19.570 1.00 0.00 C ATOM 352 O GLU A 27 -3.220 -4.395 -19.944 1.00 0.00 O ATOM 353 CB GLU A 27 -0.786 -4.537 -17.623 1.00 0.00 C ATOM 354 CG GLU A 27 0.492 -3.902 -17.101 1.00 0.00 C ATOM 355 CD GLU A 27 1.653 -4.877 -17.061 1.00 0.00 C ATOM 356 OE1 GLU A 27 1.572 -5.865 -16.301 1.00 0.00 O ATOM 357 OE2 GLU A 27 2.642 -4.652 -17.790 1.00 0.00 O ATOM 0 H GLU A 27 -1.547 -2.408 -19.014 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.129 -4.930 -19.632 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.640 -4.071 -17.132 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.797 -5.592 -17.348 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.756 -3.054 -17.733 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.316 -3.511 -16.099 1.00 0.00 H new ATOM 364 N LEU A 28 -2.296 -6.402 -19.515 1.00 0.00 N ATOM 365 CA LEU A 28 -3.485 -7.154 -19.899 1.00 0.00 C ATOM 366 C LEU A 28 -4.699 -6.705 -19.092 1.00 0.00 C ATOM 367 O LEU A 28 -4.660 -6.670 -17.861 1.00 0.00 O ATOM 368 CB LEU A 28 -3.251 -8.652 -19.700 1.00 0.00 C ATOM 369 CG LEU A 28 -4.498 -9.536 -19.733 1.00 0.00 C ATOM 370 CD1 LEU A 28 -5.289 -9.296 -21.010 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.115 -11.004 -19.609 1.00 0.00 C ATOM 0 H LEU A 28 -1.513 -6.979 -19.208 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.682 -6.960 -20.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.564 -8.998 -20.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.752 -8.797 -18.742 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.129 -9.273 -18.884 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.173 -9.934 -21.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.595 -8.251 -21.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.666 -9.531 -21.873 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.015 -11.618 -19.634 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.463 -11.281 -20.437 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.592 -11.165 -18.666 1.00 0.00 H new ATOM 383 N LEU A 29 -5.775 -6.364 -19.791 1.00 0.00 N ATOM 384 CA LEU A 29 -7.002 -5.919 -19.139 1.00 0.00 C ATOM 385 C LEU A 29 -7.988 -7.073 -18.990 1.00 0.00 C ATOM 386 O LEU A 29 -8.817 -7.315 -19.868 1.00 0.00 O ATOM 387 CB LEU A 29 -7.645 -4.784 -19.939 1.00 0.00 C ATOM 388 CG LEU A 29 -7.180 -3.370 -19.589 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.970 -2.338 -20.379 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.316 -3.119 -18.094 1.00 0.00 C ATOM 0 H LEU A 29 -5.823 -6.387 -20.810 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.745 -5.554 -18.145 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.451 -4.957 -20.998 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.725 -4.835 -19.800 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.128 -3.276 -19.859 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.626 -1.338 -20.117 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.822 -2.505 -21.446 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.030 -2.431 -20.141 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.981 -2.108 -17.863 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.359 -3.231 -17.800 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.705 -3.838 -17.547 1.00 0.00 H new ATOM 402 N THR A 30 -7.895 -7.783 -17.869 1.00 0.00 N ATOM 403 CA THR A 30 -8.779 -8.910 -17.603 1.00 0.00 C ATOM 404 C THR A 30 -10.143 -8.437 -17.113 1.00 0.00 C ATOM 405 O THR A 30 -11.177 -8.831 -17.651 1.00 0.00 O ATOM 406 CB THR A 30 -8.173 -9.865 -16.557 1.00 0.00 C ATOM 407 OG1 THR A 30 -9.041 -10.986 -16.355 1.00 0.00 O ATOM 408 CG2 THR A 30 -7.949 -9.146 -15.235 1.00 0.00 C ATOM 0 H THR A 30 -7.216 -7.597 -17.131 1.00 0.00 H new ATOM 0 HA THR A 30 -8.901 -9.445 -18.545 1.00 0.00 H new ATOM 0 HB THR A 30 -7.211 -10.215 -16.931 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.648 -11.589 -15.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.521 -9.840 -14.512 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.265 -8.311 -15.386 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.901 -8.771 -14.859 1.00 0.00 H new ATOM 416 N GLN A 31 -10.136 -7.589 -16.089 1.00 0.00 N ATOM 417 CA GLN A 31 -11.374 -7.062 -15.527 1.00 0.00 C ATOM 418 C GLN A 31 -11.454 -5.550 -15.709 1.00 0.00 C ATOM 419 O GLN A 31 -11.628 -4.793 -14.753 1.00 0.00 O ATOM 420 CB GLN A 31 -11.475 -7.415 -14.042 1.00 0.00 C ATOM 421 CG GLN A 31 -11.902 -8.851 -13.786 1.00 0.00 C ATOM 422 CD GLN A 31 -12.104 -9.146 -12.313 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.217 -9.045 -11.794 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.027 -9.513 -11.629 1.00 0.00 N ATOM 0 H GLN A 31 -9.288 -7.253 -15.632 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.209 -7.518 -16.059 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.508 -7.243 -13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.188 -6.742 -13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.829 -9.052 -14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.148 -9.527 -14.188 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.124 -9.584 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.102 -9.724 -10.634 1.00 0.00 H new ATOM 433 N PRO A 32 -11.323 -5.096 -16.964 1.00 0.00 N ATOM 434 CA PRO A 32 -11.377 -3.671 -17.301 1.00 0.00 C ATOM 435 C PRO A 32 -12.776 -3.088 -17.133 1.00 0.00 C ATOM 436 O PRO A 32 -13.755 -3.824 -17.003 1.00 0.00 O ATOM 437 CB PRO A 32 -10.958 -3.638 -18.773 1.00 0.00 C ATOM 438 CG PRO A 32 -11.310 -4.987 -19.298 1.00 0.00 C ATOM 439 CD PRO A 32 -11.112 -5.941 -18.152 1.00 0.00 C ATOM 0 HA PRO A 32 -10.740 -3.074 -16.649 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.483 -2.852 -19.316 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.891 -3.439 -18.877 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.340 -5.011 -19.653 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.676 -5.255 -20.143 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.823 -6.767 -18.189 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.114 -6.379 -18.162 1.00 0.00 H new ATOM 447 N LEU A 33 -12.864 -1.763 -17.136 1.00 0.00 N ATOM 448 CA LEU A 33 -14.144 -1.080 -16.983 1.00 0.00 C ATOM 449 C LEU A 33 -14.628 -0.526 -18.320 1.00 0.00 C ATOM 450 O LEU A 33 -13.878 -0.487 -19.295 1.00 0.00 O ATOM 451 CB LEU A 33 -14.023 0.052 -15.962 1.00 0.00 C ATOM 452 CG LEU A 33 -13.556 -0.353 -14.564 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.471 0.865 -13.656 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.489 -1.398 -13.971 1.00 0.00 C ATOM 0 H LEU A 33 -12.064 -1.139 -17.243 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.874 -1.806 -16.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.329 0.795 -16.354 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.994 0.539 -15.872 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.561 -0.790 -14.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.137 0.557 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.762 1.580 -14.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.453 1.331 -13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.141 -1.674 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.497 -0.989 -13.902 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.499 -2.281 -14.610 1.00 0.00 H new ATOM 466 N SER A 34 -15.885 -0.096 -18.356 1.00 0.00 N ATOM 467 CA SER A 34 -16.470 0.456 -19.573 1.00 0.00 C ATOM 468 C SER A 34 -16.909 1.901 -19.358 1.00 0.00 C ATOM 469 O SER A 34 -17.338 2.276 -18.266 1.00 0.00 O ATOM 470 CB SER A 34 -17.663 -0.391 -20.019 1.00 0.00 C ATOM 471 OG SER A 34 -18.232 0.119 -21.213 1.00 0.00 O ATOM 0 H SER A 34 -16.518 -0.119 -17.557 1.00 0.00 H new ATOM 0 HA SER A 34 -15.709 0.439 -20.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.343 -1.421 -20.176 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.416 -0.407 -19.231 1.00 0.00 H new ATOM 0 HG SER A 34 -18.992 -0.441 -21.478 1.00 0.00 H new ATOM 477 N LEU A 35 -16.799 2.708 -20.407 1.00 0.00 N ATOM 478 CA LEU A 35 -17.184 4.113 -20.335 1.00 0.00 C ATOM 479 C LEU A 35 -18.073 4.495 -21.515 1.00 0.00 C ATOM 480 O LEU A 35 -18.211 3.735 -22.473 1.00 0.00 O ATOM 481 CB LEU A 35 -15.940 5.003 -20.310 1.00 0.00 C ATOM 482 CG LEU A 35 -14.863 4.622 -19.295 1.00 0.00 C ATOM 483 CD1 LEU A 35 -13.545 5.302 -19.634 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.306 4.987 -17.885 1.00 0.00 C ATOM 0 H LEU A 35 -16.446 2.414 -21.318 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.749 4.263 -19.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.493 4.996 -21.304 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.254 6.027 -20.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.714 3.543 -19.340 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.790 5.019 -18.900 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.220 4.991 -20.627 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.679 6.384 -19.618 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.527 4.709 -17.175 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.484 6.061 -17.826 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.225 4.453 -17.643 1.00 0.00 H new ATOM 496 N ASP A 36 -18.673 5.678 -21.438 1.00 0.00 N ATOM 497 CA ASP A 36 -19.546 6.163 -22.501 1.00 0.00 C ATOM 498 C ASP A 36 -18.743 6.891 -23.574 1.00 0.00 C ATOM 499 O ASP A 36 -19.216 7.860 -24.168 1.00 0.00 O ATOM 500 CB ASP A 36 -20.615 7.094 -21.927 1.00 0.00 C ATOM 501 CG ASP A 36 -20.018 8.305 -21.238 1.00 0.00 C ATOM 502 OD1 ASP A 36 -19.030 8.137 -20.493 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.540 9.422 -21.442 1.00 0.00 O ATOM 0 H ASP A 36 -18.571 6.319 -20.651 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.033 5.302 -22.959 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.274 7.424 -22.730 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.230 6.542 -21.217 1.00 0.00 H new ATOM 508 N CYS A 37 -17.525 6.417 -23.818 1.00 0.00 N ATOM 509 CA CYS A 37 -16.655 7.023 -24.818 1.00 0.00 C ATOM 510 C CYS A 37 -16.121 5.970 -25.784 1.00 0.00 C ATOM 511 O CYS A 37 -15.932 6.238 -26.970 1.00 0.00 O ATOM 512 CB CYS A 37 -15.490 7.747 -24.140 1.00 0.00 C ATOM 513 SG CYS A 37 -14.206 6.635 -23.482 1.00 0.00 S ATOM 0 H CYS A 37 -17.119 5.615 -23.336 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.242 7.746 -25.384 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -15.033 8.428 -24.857 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -15.880 8.357 -23.325 1.00 0.00 H new ATOM 0 HG CYS A 37 -13.233 6.540 -24.339 1.00 0.00 H new ATOM 518 N GLY A 38 -15.879 4.769 -25.266 1.00 0.00 N ATOM 519 CA GLY A 38 -15.369 3.693 -26.096 1.00 0.00 C ATOM 520 C GLY A 38 -13.944 3.314 -25.743 1.00 0.00 C ATOM 521 O GLY A 38 -13.127 3.050 -26.625 1.00 0.00 O ATOM 0 H GLY A 38 -16.027 4.522 -24.287 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.011 2.819 -25.988 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.413 3.994 -27.143 1.00 0.00 H new ATOM 525 N HIS A 39 -13.645 3.287 -24.448 1.00 0.00 N ATOM 526 CA HIS A 39 -12.308 2.938 -23.980 1.00 0.00 C ATOM 527 C HIS A 39 -12.366 2.309 -22.591 1.00 0.00 C ATOM 528 O HIS A 39 -12.965 2.866 -21.671 1.00 0.00 O ATOM 529 CB HIS A 39 -11.414 4.178 -23.954 1.00 0.00 C ATOM 530 CG HIS A 39 -11.235 4.816 -25.297 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.444 6.159 -25.527 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.861 4.286 -26.485 1.00 0.00 C ATOM 533 CE1 HIS A 39 -11.210 6.428 -26.799 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.853 5.308 -27.402 1.00 0.00 N ATOM 0 H HIS A 39 -14.310 3.502 -23.705 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.886 2.210 -24.672 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.841 4.909 -23.268 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.436 3.903 -23.559 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.615 3.252 -26.676 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.296 7.398 -27.266 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.611 5.217 -28.389 1.00 0.00 H new ATOM 542 N SER A 40 -11.739 1.146 -22.447 1.00 0.00 N ATOM 543 CA SER A 40 -11.723 0.438 -21.172 1.00 0.00 C ATOM 544 C SER A 40 -10.482 0.804 -20.363 1.00 0.00 C ATOM 545 O SER A 40 -9.540 1.399 -20.886 1.00 0.00 O ATOM 546 CB SER A 40 -11.769 -1.073 -21.402 1.00 0.00 C ATOM 547 OG SER A 40 -12.466 -1.387 -22.595 1.00 0.00 O ATOM 0 H SER A 40 -11.235 0.674 -23.198 1.00 0.00 H new ATOM 0 HA SER A 40 -12.605 0.738 -20.607 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.754 -1.467 -21.456 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.254 -1.558 -20.555 1.00 0.00 H new ATOM 0 HG SER A 40 -12.480 -2.359 -22.720 1.00 0.00 H new ATOM 553 N PHE A 41 -10.490 0.444 -19.084 1.00 0.00 N ATOM 554 CA PHE A 41 -9.366 0.734 -18.202 1.00 0.00 C ATOM 555 C PHE A 41 -9.415 -0.141 -16.953 1.00 0.00 C ATOM 556 O PHE A 41 -10.356 -0.910 -16.756 1.00 0.00 O ATOM 557 CB PHE A 41 -9.371 2.211 -17.803 1.00 0.00 C ATOM 558 CG PHE A 41 -9.367 3.149 -18.977 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.535 3.414 -19.673 1.00 0.00 C ATOM 560 CD2 PHE A 41 -8.194 3.764 -19.385 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.534 4.276 -20.754 1.00 0.00 C ATOM 562 CE2 PHE A 41 -8.187 4.627 -20.464 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.358 4.884 -21.149 1.00 0.00 C ATOM 0 H PHE A 41 -11.262 -0.049 -18.635 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.446 0.514 -18.743 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.251 2.411 -17.191 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.498 2.415 -17.182 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.457 2.942 -19.368 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.275 3.566 -18.853 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.451 4.474 -21.289 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.266 5.100 -20.771 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.355 5.559 -21.992 1.00 0.00 H new ATOM 573 N CYS A 42 -8.394 -0.019 -16.111 1.00 0.00 N ATOM 574 CA CYS A 42 -8.318 -0.798 -14.881 1.00 0.00 C ATOM 575 C CYS A 42 -9.100 -0.121 -13.759 1.00 0.00 C ATOM 576 O CYS A 42 -8.978 1.084 -13.545 1.00 0.00 O ATOM 577 CB CYS A 42 -6.859 -0.985 -14.460 1.00 0.00 C ATOM 578 SG CYS A 42 -5.869 -1.972 -15.628 1.00 0.00 S ATOM 0 H CYS A 42 -7.607 0.613 -16.259 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.762 -1.775 -15.071 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.396 -0.005 -14.346 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.833 -1.465 -13.482 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.411 -1.200 -16.569 1.00 0.00 H new ATOM 583 N GLN A 43 -9.902 -0.906 -13.048 1.00 0.00 N ATOM 584 CA GLN A 43 -10.704 -0.383 -11.949 1.00 0.00 C ATOM 585 C GLN A 43 -9.864 0.506 -11.037 1.00 0.00 C ATOM 586 O GLN A 43 -10.398 1.322 -10.286 1.00 0.00 O ATOM 587 CB GLN A 43 -11.313 -1.531 -11.141 1.00 0.00 C ATOM 588 CG GLN A 43 -12.097 -1.070 -9.923 1.00 0.00 C ATOM 589 CD GLN A 43 -13.422 -0.431 -10.289 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.390 -1.122 -10.607 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.473 0.895 -10.246 1.00 0.00 N ATOM 0 H GLN A 43 -10.014 -1.906 -13.213 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.507 0.219 -12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.971 -2.110 -11.788 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.515 -2.199 -10.817 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.278 -1.922 -9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.497 -0.356 -9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.646 1.429 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.339 1.380 -10.482 1.00 0.00 H new ATOM 600 N ALA A 44 -8.548 0.342 -11.109 1.00 0.00 N ATOM 601 CA ALA A 44 -7.634 1.131 -10.291 1.00 0.00 C ATOM 602 C ALA A 44 -7.053 2.296 -11.086 1.00 0.00 C ATOM 603 O ALA A 44 -7.173 3.454 -10.685 1.00 0.00 O ATOM 604 CB ALA A 44 -6.517 0.251 -9.749 1.00 0.00 C ATOM 0 H ALA A 44 -8.090 -0.330 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.198 1.541 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.842 0.853 -9.140 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.944 -0.544 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.963 -0.187 -10.580 1.00 0.00 H new ATOM 610 N CYS A 45 -6.424 1.982 -12.213 1.00 0.00 N ATOM 611 CA CYS A 45 -5.823 3.002 -13.063 1.00 0.00 C ATOM 612 C CYS A 45 -6.780 4.174 -13.266 1.00 0.00 C ATOM 613 O CYS A 45 -6.356 5.326 -13.364 1.00 0.00 O ATOM 614 CB CYS A 45 -5.437 2.404 -14.418 1.00 0.00 C ATOM 615 SG CYS A 45 -4.096 1.174 -14.332 1.00 0.00 S ATOM 0 H CYS A 45 -6.317 1.028 -12.559 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.925 3.370 -12.567 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.317 1.937 -14.861 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.134 3.210 -15.086 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.483 0.070 -14.898 1.00 0.00 H new ATOM 620 N LEU A 46 -8.072 3.871 -13.329 1.00 0.00 N ATOM 621 CA LEU A 46 -9.090 4.898 -13.520 1.00 0.00 C ATOM 622 C LEU A 46 -9.203 5.789 -12.286 1.00 0.00 C ATOM 623 O LEU A 46 -9.229 7.015 -12.393 1.00 0.00 O ATOM 624 CB LEU A 46 -10.443 4.252 -13.822 1.00 0.00 C ATOM 625 CG LEU A 46 -10.785 4.072 -15.301 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.798 2.952 -15.483 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.313 5.372 -15.889 1.00 0.00 C ATOM 0 H LEU A 46 -8.439 2.923 -13.251 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.793 5.517 -14.366 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.472 3.274 -13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.223 4.857 -13.360 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.874 3.800 -15.834 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.029 2.839 -16.542 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.382 2.020 -15.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.710 3.194 -14.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.551 5.225 -16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.212 5.675 -15.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.554 6.149 -15.794 1.00 0.00 H new ATOM 639 N THR A 47 -9.268 5.163 -11.115 1.00 0.00 N ATOM 640 CA THR A 47 -9.377 5.898 -9.861 1.00 0.00 C ATOM 641 C THR A 47 -8.129 6.736 -9.605 1.00 0.00 C ATOM 642 O THR A 47 -8.209 7.832 -9.051 1.00 0.00 O ATOM 643 CB THR A 47 -9.596 4.947 -8.669 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.806 4.204 -8.852 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.662 5.723 -7.363 1.00 0.00 C ATOM 0 H THR A 47 -9.247 4.149 -11.009 1.00 0.00 H new ATOM 0 HA THR A 47 -10.241 6.556 -9.955 1.00 0.00 H new ATOM 0 HB THR A 47 -8.752 4.259 -8.621 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.601 3.344 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.817 5.030 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.727 6.264 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.489 6.432 -7.402 1.00 0.00 H new ATOM 653 N ALA A 48 -6.977 6.214 -10.012 1.00 0.00 N ATOM 654 CA ALA A 48 -5.713 6.916 -9.829 1.00 0.00 C ATOM 655 C ALA A 48 -5.548 8.027 -10.861 1.00 0.00 C ATOM 656 O ALA A 48 -5.274 9.175 -10.512 1.00 0.00 O ATOM 657 CB ALA A 48 -4.550 5.939 -9.912 1.00 0.00 C ATOM 0 H ALA A 48 -6.893 5.307 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.719 7.373 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.612 6.477 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.653 5.183 -9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.550 5.455 -10.889 1.00 0.00 H new ATOM 663 N ASN A 49 -5.715 7.677 -12.132 1.00 0.00 N ATOM 664 CA ASN A 49 -5.582 8.646 -13.215 1.00 0.00 C ATOM 665 C ASN A 49 -6.402 9.900 -12.926 1.00 0.00 C ATOM 666 O ASN A 49 -5.950 11.019 -13.166 1.00 0.00 O ATOM 667 CB ASN A 49 -6.028 8.024 -14.540 1.00 0.00 C ATOM 668 CG ASN A 49 -5.523 8.800 -15.741 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.439 9.436 -16.462 1.00 0.00 O flip ATOM 670 ND2 ASN A 49 -4.324 8.827 -16.017 1.00 0.00 N flip ATOM 0 H ASN A 49 -5.942 6.731 -12.438 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.532 8.930 -13.290 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.667 6.997 -14.596 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.117 7.981 -14.570 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.655 8.323 -15.435 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.999 9.353 -16.828 1.00 0.00 H new ATOM 677 N HIS A 50 -7.612 9.703 -12.410 1.00 0.00 N ATOM 678 CA HIS A 50 -8.495 10.818 -12.088 1.00 0.00 C ATOM 679 C HIS A 50 -7.823 11.780 -11.114 1.00 0.00 C ATOM 680 O HIS A 50 -7.677 12.969 -11.399 1.00 0.00 O ATOM 681 CB HIS A 50 -9.805 10.302 -11.491 1.00 0.00 C ATOM 682 CG HIS A 50 -10.582 9.423 -12.422 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.517 8.508 -11.987 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.560 9.324 -13.771 1.00 0.00 C ATOM 685 CE1 HIS A 50 -12.036 7.883 -13.029 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.472 8.360 -14.124 1.00 0.00 N ATOM 0 H HIS A 50 -8.002 8.783 -12.206 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.711 11.356 -13.011 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.585 9.747 -10.579 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.424 11.152 -11.205 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.940 9.897 -14.445 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.793 7.113 -12.992 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -11.680 8.061 -15.077 1.00 0.00 H new ATOM 694 N LYS A 51 -7.414 11.259 -9.962 1.00 0.00 N ATOM 695 CA LYS A 51 -6.756 12.070 -8.944 1.00 0.00 C ATOM 696 C LYS A 51 -5.539 12.785 -9.522 1.00 0.00 C ATOM 697 O LYS A 51 -5.131 13.837 -9.029 1.00 0.00 O ATOM 698 CB LYS A 51 -6.335 11.197 -7.760 1.00 0.00 C ATOM 699 CG LYS A 51 -7.485 10.433 -7.128 1.00 0.00 C ATOM 700 CD LYS A 51 -6.995 9.200 -6.388 1.00 0.00 C ATOM 701 CE LYS A 51 -8.155 8.363 -5.871 1.00 0.00 C ATOM 702 NZ LYS A 51 -8.795 8.980 -4.676 1.00 0.00 N ATOM 0 H LYS A 51 -7.527 10.277 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.466 12.821 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.578 10.487 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.869 11.827 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.020 11.085 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.195 10.137 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.377 8.596 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.363 9.503 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.898 8.245 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.798 7.365 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.581 8.380 -4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.093 9.070 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.159 9.922 -4.925 1.00 0.00 H new ATOM 716 N LYS A 52 -4.962 12.207 -10.570 1.00 0.00 N ATOM 717 CA LYS A 52 -3.792 12.790 -11.218 1.00 0.00 C ATOM 718 C LYS A 52 -4.075 14.219 -11.668 1.00 0.00 C ATOM 719 O LYS A 52 -3.411 15.160 -11.233 1.00 0.00 O ATOM 720 CB LYS A 52 -3.372 11.939 -12.419 1.00 0.00 C ATOM 721 CG LYS A 52 -1.871 11.913 -12.650 1.00 0.00 C ATOM 722 CD LYS A 52 -1.431 13.029 -13.583 1.00 0.00 C ATOM 723 CE LYS A 52 -0.989 14.261 -12.808 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.282 15.518 -13.551 1.00 0.00 N ATOM 0 H LYS A 52 -5.285 11.335 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.978 12.811 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.726 10.919 -12.273 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.862 12.321 -13.314 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.353 12.010 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.584 10.950 -13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.611 12.679 -14.210 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.252 13.292 -14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.495 14.283 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.080 14.199 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.174 16.332 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.620 15.613 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.257 15.488 -13.912 1.00 0.00 H new ATOM 738 N SER A 53 -5.065 14.375 -12.541 1.00 0.00 N ATOM 739 CA SER A 53 -5.434 15.690 -13.052 1.00 0.00 C ATOM 740 C SER A 53 -6.377 16.402 -12.088 1.00 0.00 C ATOM 741 O SER A 53 -7.226 17.191 -12.502 1.00 0.00 O ATOM 742 CB SER A 53 -6.093 15.560 -14.427 1.00 0.00 C ATOM 743 OG SER A 53 -5.896 16.731 -15.199 1.00 0.00 O ATOM 0 H SER A 53 -5.626 13.607 -12.909 1.00 0.00 H new ATOM 0 HA SER A 53 -4.525 16.284 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.678 14.700 -14.953 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.160 15.375 -14.306 1.00 0.00 H new ATOM 0 HG SER A 53 -6.325 16.622 -16.073 1.00 0.00 H new ATOM 749 N MET A 54 -6.222 16.117 -10.799 1.00 0.00 N ATOM 750 CA MET A 54 -7.059 16.731 -9.775 1.00 0.00 C ATOM 751 C MET A 54 -6.319 17.869 -9.078 1.00 0.00 C ATOM 752 O MET A 54 -6.890 18.930 -8.822 1.00 0.00 O ATOM 753 CB MET A 54 -7.494 15.685 -8.747 1.00 0.00 C ATOM 754 CG MET A 54 -8.849 15.974 -8.122 1.00 0.00 C ATOM 755 SD MET A 54 -10.168 16.091 -9.346 1.00 0.00 S ATOM 756 CE MET A 54 -10.013 14.505 -10.163 1.00 0.00 C ATOM 0 H MET A 54 -5.525 15.465 -10.439 1.00 0.00 H new ATOM 0 HA MET A 54 -7.944 17.141 -10.262 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.526 14.707 -9.227 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.744 15.629 -7.958 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.090 15.187 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.795 16.907 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.005 14.105 -10.372 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.467 14.629 -11.098 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.472 13.814 -9.516 1.00 0.00 H new ATOM 766 N LEU A 55 -5.046 17.641 -8.772 1.00 0.00 N ATOM 767 CA LEU A 55 -4.228 18.647 -8.104 1.00 0.00 C ATOM 768 C LEU A 55 -3.887 19.790 -9.054 1.00 0.00 C ATOM 769 O LEU A 55 -3.739 20.937 -8.633 1.00 0.00 O ATOM 770 CB LEU A 55 -2.943 18.013 -7.568 1.00 0.00 C ATOM 771 CG LEU A 55 -1.788 17.894 -8.563 1.00 0.00 C ATOM 772 CD1 LEU A 55 -0.451 17.981 -7.843 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.890 16.593 -9.346 1.00 0.00 C ATOM 0 H LEU A 55 -4.558 16.769 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.802 19.052 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.602 18.598 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.181 17.016 -7.197 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.853 18.724 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.359 17.894 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.377 18.939 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.376 17.172 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.060 16.526 -10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.851 15.750 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.832 16.571 -9.894 1.00 0.00 H new ATOM 785 N ASP A 56 -3.766 19.470 -10.338 1.00 0.00 N ATOM 786 CA ASP A 56 -3.446 20.471 -11.349 1.00 0.00 C ATOM 787 C ASP A 56 -4.621 21.419 -11.565 1.00 0.00 C ATOM 788 O ASP A 56 -4.506 22.627 -11.351 1.00 0.00 O ATOM 789 CB ASP A 56 -3.072 19.793 -12.668 1.00 0.00 C ATOM 790 CG ASP A 56 -1.605 19.416 -12.729 1.00 0.00 C ATOM 791 OD1 ASP A 56 -0.763 20.330 -12.852 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.299 18.207 -12.656 1.00 0.00 O ATOM 0 H ASP A 56 -3.885 18.525 -10.703 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.594 21.052 -10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.680 18.898 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.307 20.461 -13.496 1.00 0.00 H new ATOM 797 N LYS A 57 -5.751 20.866 -11.992 1.00 0.00 N ATOM 798 CA LYS A 57 -6.948 21.661 -12.237 1.00 0.00 C ATOM 799 C LYS A 57 -8.077 21.251 -11.297 1.00 0.00 C ATOM 800 O LYS A 57 -8.722 22.097 -10.679 1.00 0.00 O ATOM 801 CB LYS A 57 -7.400 21.505 -13.691 1.00 0.00 C ATOM 802 CG LYS A 57 -6.307 21.803 -14.703 1.00 0.00 C ATOM 803 CD LYS A 57 -6.797 21.607 -16.128 1.00 0.00 C ATOM 804 CE LYS A 57 -5.638 21.431 -17.097 1.00 0.00 C ATOM 805 NZ LYS A 57 -5.977 21.919 -18.462 1.00 0.00 N ATOM 0 H LYS A 57 -5.863 19.869 -12.176 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.703 22.706 -12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.758 20.487 -13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.244 22.170 -13.874 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.961 22.828 -14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.452 21.152 -14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.447 20.733 -16.173 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.397 22.466 -16.429 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.768 21.971 -16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.362 20.378 -17.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.161 21.781 -19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.792 21.387 -18.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.215 22.930 -18.420 1.00 0.00 H new ATOM 819 N GLY A 58 -8.309 19.945 -11.192 1.00 0.00 N ATOM 820 CA GLY A 58 -9.359 19.446 -10.324 1.00 0.00 C ATOM 821 C GLY A 58 -10.463 18.747 -11.092 1.00 0.00 C ATOM 822 O GLY A 58 -11.639 18.875 -10.754 1.00 0.00 O ATOM 0 H GLY A 58 -7.788 19.225 -11.693 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.929 18.753 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.783 20.275 -9.758 1.00 0.00 H new ATOM 826 N GLU A 59 -10.084 18.007 -12.129 1.00 0.00 N ATOM 827 CA GLU A 59 -11.052 17.287 -12.948 1.00 0.00 C ATOM 828 C GLU A 59 -10.388 16.123 -13.678 1.00 0.00 C ATOM 829 O GLU A 59 -9.191 16.156 -13.961 1.00 0.00 O ATOM 830 CB GLU A 59 -11.702 18.234 -13.959 1.00 0.00 C ATOM 831 CG GLU A 59 -12.731 19.168 -13.345 1.00 0.00 C ATOM 832 CD GLU A 59 -12.107 20.419 -12.758 1.00 0.00 C ATOM 833 OE1 GLU A 59 -11.054 20.853 -13.269 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.673 20.965 -11.788 1.00 0.00 O ATOM 0 H GLU A 59 -9.114 17.890 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.822 16.887 -12.288 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.925 18.829 -14.439 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.180 17.644 -14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.458 19.452 -14.106 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.277 18.638 -12.564 1.00 0.00 H new ATOM 841 N SER A 60 -11.176 15.096 -13.980 1.00 0.00 N ATOM 842 CA SER A 60 -10.665 13.919 -14.673 1.00 0.00 C ATOM 843 C SER A 60 -11.354 13.742 -16.023 1.00 0.00 C ATOM 844 O SER A 60 -12.512 14.121 -16.196 1.00 0.00 O ATOM 845 CB SER A 60 -10.868 12.668 -13.816 1.00 0.00 C ATOM 846 OG SER A 60 -12.234 12.494 -13.483 1.00 0.00 O ATOM 0 H SER A 60 -12.170 15.055 -13.756 1.00 0.00 H new ATOM 0 HA SER A 60 -9.598 14.063 -14.845 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.507 11.792 -14.355 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.276 12.748 -12.905 1.00 0.00 H new ATOM 0 HG SER A 60 -12.337 11.687 -12.937 1.00 0.00 H new ATOM 852 N SER A 61 -10.632 13.163 -16.977 1.00 0.00 N ATOM 853 CA SER A 61 -11.171 12.938 -18.313 1.00 0.00 C ATOM 854 C SER A 61 -10.415 11.818 -19.022 1.00 0.00 C ATOM 855 O SER A 61 -9.202 11.677 -18.868 1.00 0.00 O ATOM 856 CB SER A 61 -11.094 14.223 -19.140 1.00 0.00 C ATOM 857 OG SER A 61 -12.263 15.007 -18.975 1.00 0.00 O ATOM 0 H SER A 61 -9.672 12.841 -16.850 1.00 0.00 H new ATOM 0 HA SER A 61 -12.215 12.641 -18.212 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.220 14.801 -18.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.965 13.974 -20.193 1.00 0.00 H new ATOM 0 HG SER A 61 -12.611 14.888 -18.067 1.00 0.00 H new ATOM 863 N CYS A 62 -11.142 11.024 -19.801 1.00 0.00 N ATOM 864 CA CYS A 62 -10.544 9.915 -20.534 1.00 0.00 C ATOM 865 C CYS A 62 -9.132 10.267 -20.996 1.00 0.00 C ATOM 866 O CYS A 62 -8.922 11.188 -21.785 1.00 0.00 O ATOM 867 CB CYS A 62 -11.410 9.548 -21.741 1.00 0.00 C ATOM 868 SG CYS A 62 -10.957 7.969 -22.529 1.00 0.00 S ATOM 0 H CYS A 62 -12.147 11.128 -19.941 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.485 9.058 -19.863 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -12.452 9.498 -21.425 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -11.339 10.345 -22.481 1.00 0.00 H new ATOM 0 HG CYS A 62 -12.033 7.360 -22.930 1.00 0.00 H new ATOM 873 N PRO A 63 -8.141 9.516 -20.492 1.00 0.00 N ATOM 874 CA PRO A 63 -6.733 9.729 -20.839 1.00 0.00 C ATOM 875 C PRO A 63 -6.426 9.342 -22.281 1.00 0.00 C ATOM 876 O PRO A 63 -5.271 9.360 -22.708 1.00 0.00 O ATOM 877 CB PRO A 63 -5.986 8.811 -19.868 1.00 0.00 C ATOM 878 CG PRO A 63 -6.967 7.743 -19.526 1.00 0.00 C ATOM 879 CD PRO A 63 -8.319 8.401 -19.547 1.00 0.00 C ATOM 0 HA PRO A 63 -6.448 10.778 -20.760 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.090 8.393 -20.328 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.665 9.353 -18.979 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.920 6.925 -20.245 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.755 7.318 -18.545 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.096 7.713 -19.880 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.609 8.755 -18.558 1.00 0.00 H new ATOM 887 N VAL A 64 -7.467 8.992 -23.030 1.00 0.00 N ATOM 888 CA VAL A 64 -7.309 8.602 -24.426 1.00 0.00 C ATOM 889 C VAL A 64 -7.953 9.622 -25.358 1.00 0.00 C ATOM 890 O VAL A 64 -7.311 10.131 -26.277 1.00 0.00 O ATOM 891 CB VAL A 64 -7.925 7.216 -24.695 1.00 0.00 C ATOM 892 CG1 VAL A 64 -7.789 6.847 -26.164 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.275 6.163 -23.810 1.00 0.00 C ATOM 0 H VAL A 64 -8.429 8.971 -22.693 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.238 8.560 -24.623 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.987 7.257 -24.452 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.230 5.865 -26.335 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.306 7.588 -26.775 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.734 6.824 -26.437 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.722 5.190 -24.013 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.206 6.122 -24.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.430 6.422 -22.763 1.00 0.00 H new ATOM 903 N CYS A 65 -9.226 9.917 -25.115 1.00 0.00 N ATOM 904 CA CYS A 65 -9.958 10.876 -25.932 1.00 0.00 C ATOM 905 C CYS A 65 -10.349 12.103 -25.112 1.00 0.00 C ATOM 906 O CYS A 65 -10.815 13.103 -25.656 1.00 0.00 O ATOM 907 CB CYS A 65 -11.210 10.224 -26.522 1.00 0.00 C ATOM 908 SG CYS A 65 -12.426 9.686 -25.277 1.00 0.00 S ATOM 0 H CYS A 65 -9.772 9.505 -24.358 1.00 0.00 H new ATOM 0 HA CYS A 65 -9.306 11.196 -26.744 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.689 10.930 -27.200 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.911 9.362 -27.118 1.00 0.00 H new ATOM 0 HG CYS A 65 -11.814 9.068 -24.311 1.00 0.00 H new ATOM 913 N ARG A 66 -10.154 12.017 -23.800 1.00 0.00 N ATOM 914 CA ARG A 66 -10.487 13.118 -22.904 1.00 0.00 C ATOM 915 C ARG A 66 -11.897 13.634 -23.177 1.00 0.00 C ATOM 916 O ARG A 66 -12.103 14.833 -23.371 1.00 0.00 O ATOM 917 CB ARG A 66 -9.476 14.256 -23.063 1.00 0.00 C ATOM 918 CG ARG A 66 -8.162 14.008 -22.340 1.00 0.00 C ATOM 919 CD ARG A 66 -7.201 13.196 -23.193 1.00 0.00 C ATOM 920 NE ARG A 66 -5.806 13.522 -22.907 1.00 0.00 N ATOM 921 CZ ARG A 66 -5.173 14.566 -23.429 1.00 0.00 C ATOM 922 NH1 ARG A 66 -5.807 15.382 -24.260 1.00 0.00 N ATOM 923 NH2 ARG A 66 -3.903 14.796 -23.120 1.00 0.00 N ATOM 0 H ARG A 66 -9.767 11.196 -23.334 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.447 12.745 -21.880 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.275 14.406 -24.124 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.919 15.179 -22.688 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.703 14.962 -22.081 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.354 13.482 -21.405 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.369 12.134 -23.016 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.408 13.380 -24.247 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.290 12.914 -22.271 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.783 15.208 -24.500 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.319 16.183 -24.660 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.412 14.171 -22.481 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.418 15.598 -23.522 1.00 0.00 H new ATOM 937 N ILE A 67 -12.862 12.722 -23.192 1.00 0.00 N ATOM 938 CA ILE A 67 -14.252 13.085 -23.440 1.00 0.00 C ATOM 939 C ILE A 67 -14.917 13.614 -22.174 1.00 0.00 C ATOM 940 O ILE A 67 -14.429 13.394 -21.066 1.00 0.00 O ATOM 941 CB ILE A 67 -15.061 11.887 -23.970 1.00 0.00 C ATOM 942 CG1 ILE A 67 -16.452 12.340 -24.418 1.00 0.00 C ATOM 943 CG2 ILE A 67 -15.169 10.808 -22.902 1.00 0.00 C ATOM 944 CD1 ILE A 67 -17.150 11.347 -25.320 1.00 0.00 C ATOM 0 H ILE A 67 -12.708 11.726 -23.035 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.243 13.869 -24.197 1.00 0.00 H new ATOM 0 HB ILE A 67 -14.541 11.469 -24.832 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.070 12.515 -23.537 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -16.364 13.293 -24.940 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -15.744 9.967 -23.291 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -14.171 10.468 -22.626 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -15.670 11.214 -22.024 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -18.130 11.734 -25.598 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -16.554 11.190 -26.219 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -17.270 10.400 -24.794 1.00 0.00 H new ATOM 956 N SER A 68 -16.035 14.311 -22.347 1.00 0.00 N ATOM 957 CA SER A 68 -16.768 14.873 -21.218 1.00 0.00 C ATOM 958 C SER A 68 -17.681 13.827 -20.587 1.00 0.00 C ATOM 959 O SER A 68 -18.520 13.231 -21.263 1.00 0.00 O ATOM 960 CB SER A 68 -17.591 16.082 -21.668 1.00 0.00 C ATOM 961 OG SER A 68 -18.451 16.527 -20.633 1.00 0.00 O ATOM 0 H SER A 68 -16.453 14.500 -23.258 1.00 0.00 H new ATOM 0 HA SER A 68 -16.043 15.194 -20.470 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.923 16.891 -21.963 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.180 15.818 -22.546 1.00 0.00 H new ATOM 0 HG SER A 68 -18.965 17.301 -20.945 1.00 0.00 H new ATOM 967 N TYR A 69 -17.512 13.609 -19.288 1.00 0.00 N ATOM 968 CA TYR A 69 -18.319 12.633 -18.565 1.00 0.00 C ATOM 969 C TYR A 69 -18.013 12.672 -17.071 1.00 0.00 C ATOM 970 O TYR A 69 -16.923 13.070 -16.661 1.00 0.00 O ATOM 971 CB TYR A 69 -18.067 11.227 -19.112 1.00 0.00 C ATOM 972 CG TYR A 69 -16.825 10.572 -18.551 1.00 0.00 C ATOM 973 CD1 TYR A 69 -15.634 11.279 -18.439 1.00 0.00 C ATOM 974 CD2 TYR A 69 -16.843 9.247 -18.132 1.00 0.00 C ATOM 975 CE1 TYR A 69 -14.497 10.684 -17.927 1.00 0.00 C ATOM 976 CE2 TYR A 69 -15.711 8.645 -17.618 1.00 0.00 C ATOM 977 CZ TYR A 69 -14.540 9.368 -17.518 1.00 0.00 C ATOM 978 OH TYR A 69 -13.409 8.773 -17.007 1.00 0.00 O ATOM 0 H TYR A 69 -16.823 14.095 -18.714 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.369 12.889 -18.709 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.930 10.600 -18.890 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.982 11.279 -20.197 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.596 12.310 -18.757 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.758 8.678 -18.210 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.579 11.247 -17.848 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -15.742 7.615 -17.296 1.00 0.00 H new ATOM 0 HH TYR A 69 -13.609 7.845 -16.765 1.00 0.00 H new ATOM 988 N GLN A 70 -18.983 12.256 -16.264 1.00 0.00 N ATOM 989 CA GLN A 70 -18.818 12.243 -14.815 1.00 0.00 C ATOM 990 C GLN A 70 -18.447 10.848 -14.322 1.00 0.00 C ATOM 991 O GLN A 70 -19.069 9.849 -14.683 1.00 0.00 O ATOM 992 CB GLN A 70 -20.102 12.714 -14.130 1.00 0.00 C ATOM 993 CG GLN A 70 -19.862 13.415 -12.803 1.00 0.00 C ATOM 994 CD GLN A 70 -21.009 14.323 -12.406 1.00 0.00 C ATOM 995 OE1 GLN A 70 -21.869 14.650 -13.225 1.00 0.00 O ATOM 996 NE2 GLN A 70 -21.029 14.735 -11.144 1.00 0.00 N ATOM 0 H GLN A 70 -19.891 11.924 -16.588 1.00 0.00 H new ATOM 0 HA GLN A 70 -18.007 12.926 -14.561 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.633 13.392 -14.799 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.752 11.855 -13.965 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -19.709 12.668 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.945 14.001 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -20.296 14.439 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -21.777 15.347 -10.819 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.408 10.776 -13.477 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.930 9.509 -12.915 1.00 0.00 C ATOM 1007 C PRO A 71 -17.912 8.912 -11.914 1.00 0.00 C ATOM 1008 O PRO A 71 -17.663 7.850 -11.344 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.625 9.900 -12.217 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.787 11.346 -11.894 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.620 11.927 -13.003 1.00 0.00 C ATOM 0 HA PRO A 71 -16.806 8.744 -13.682 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.465 9.308 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.764 9.733 -12.864 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.276 11.478 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.819 11.843 -11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.261 12.732 -12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.999 12.343 -13.796 1.00 0.00 H new ATOM 1019 N GLU A 72 -19.030 9.601 -11.705 1.00 0.00 N ATOM 1020 CA GLU A 72 -20.049 9.137 -10.771 1.00 0.00 C ATOM 1021 C GLU A 72 -20.891 8.026 -11.392 1.00 0.00 C ATOM 1022 O GLU A 72 -20.967 6.920 -10.859 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.951 10.299 -10.347 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.650 10.073 -9.017 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.125 11.365 -8.381 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -21.355 12.348 -8.390 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -23.266 11.393 -7.875 1.00 0.00 O ATOM 0 H GLU A 72 -19.253 10.481 -12.169 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.544 8.738 -9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -20.353 11.208 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -21.702 10.465 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -22.503 9.411 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.969 9.565 -8.334 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.522 8.330 -12.521 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.359 7.358 -13.215 1.00 0.00 C ATOM 1036 C ASN A 73 -21.526 6.503 -14.165 1.00 0.00 C ATOM 1037 O ASN A 73 -21.280 6.889 -15.309 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.468 8.071 -13.991 1.00 0.00 C ATOM 1039 CG ASN A 73 -24.212 9.081 -13.139 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.456 8.851 -11.955 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -24.578 10.207 -13.741 1.00 0.00 N ATOM 0 H ASN A 73 -21.470 9.242 -12.975 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.810 6.705 -12.468 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.036 8.576 -14.855 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -24.173 7.333 -14.373 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.083 10.924 -13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.354 10.355 -14.725 1.00 0.00 H new ATOM 1048 N ILE A 74 -21.096 5.342 -13.685 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.293 4.432 -14.492 1.00 0.00 C ATOM 1050 C ILE A 74 -20.412 2.998 -13.986 1.00 0.00 C ATOM 1051 O ILE A 74 -20.475 2.758 -12.780 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.809 4.842 -14.495 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.660 6.294 -14.954 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.004 3.912 -15.390 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.221 6.725 -15.138 1.00 0.00 C ATOM 0 H ILE A 74 -21.290 5.009 -12.741 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.679 4.489 -15.510 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.422 4.760 -13.479 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.193 6.426 -15.895 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.136 6.948 -14.224 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.957 4.215 -15.382 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.089 2.889 -15.022 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.389 3.964 -16.409 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.191 7.765 -15.464 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.688 6.626 -14.193 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.746 6.095 -15.890 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.440 2.049 -14.916 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.550 0.638 -14.564 1.00 0.00 C ATOM 1069 C ARG A 75 -19.883 -0.239 -15.620 1.00 0.00 C ATOM 1070 O ARG A 75 -19.899 0.063 -16.814 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.019 0.242 -14.411 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.797 0.269 -15.716 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.281 0.499 -15.477 1.00 0.00 C ATOM 1074 NE ARG A 75 -25.072 0.267 -16.682 1.00 0.00 N ATOM 1075 CZ ARG A 75 -26.369 -0.019 -16.665 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -27.017 -0.107 -15.511 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -27.021 -0.217 -17.803 1.00 0.00 N ATOM 0 H ARG A 75 -20.388 2.231 -15.918 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.039 0.485 -13.614 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.074 -0.760 -13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.496 0.916 -13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.405 1.057 -16.358 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.655 -0.673 -16.245 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.627 -0.163 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.438 1.521 -15.131 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.603 0.328 -17.586 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.519 0.045 -14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.013 -0.327 -15.501 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -26.526 -0.150 -18.693 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.017 -0.437 -17.789 1.00 0.00 H new