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 53 SER OG : rot -43:sc= 1.02 USER MOD Set 1.2: A 54 MET CE :methyl -161:sc= -0.431 (180deg=-0.678) USER MOD Set 1.3: A 60 SER OG : rot 180:sc= 0.00163 USER MOD Set 2.1: A 22 CYS SG : rot 96:sc= 0.401! USER MOD Set 2.2: A 25 CYS SG : rot -57:sc= -0.748! USER MOD Set 2.3: A 42 CYS SG : rot 86:sc= -0.406 USER MOD Set 2.4: A 45 CYS SG : rot 126:sc= -0.95 USER MOD Set 3.1: A 37 CYS SG : rot 165:sc= -0.19 USER MOD Set 3.2: A 39 HIS : no HE2:sc= -2.57! K(o=-0.85!,f=-3.1) USER MOD Set 3.3: A 62 CYS SG : rot 34:sc= 1.48 USER MOD Set 3.4: A 65 CYS SG : rot -50:sc= 0.427 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=-0.023) 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= -1.4 X(o=-1.4,f=-0.97) USER MOD Single : A 47 THR OG1 : rot 92:sc= 0.104 USER MOD Single : A 49 ASN : amide:sc= -0.803 K(o=-0.8,f=-3!) USER MOD Single : A 50 HIS : no HD1:sc= -3.2! X(o=-3.2!,f=-3.2) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc=-0.00236 (180deg=-0.098) USER MOD Single : A 52 LYS NZ :NH3+ 132:sc= -1.22 (180deg=-2.43!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 16:sc= 1.07 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= -1.57 K(o=-1.6,f=-5.3!) USER MOD Single : A 73 ASN : amide:sc= -3.15 K(o=-3.2,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -5.097 -8.596 -26.808 1.00 0.00 N ATOM 233 CA GLU A 19 -6.166 -7.975 -27.581 1.00 0.00 C ATOM 234 C GLU A 19 -6.544 -6.617 -26.994 1.00 0.00 C ATOM 235 O GLU A 19 -6.703 -5.637 -27.721 1.00 0.00 O ATOM 236 CB GLU A 19 -7.395 -8.886 -27.618 1.00 0.00 C ATOM 237 CG GLU A 19 -7.724 -9.520 -26.277 1.00 0.00 C ATOM 238 CD GLU A 19 -9.023 -10.301 -26.303 1.00 0.00 C ATOM 239 OE1 GLU A 19 -9.094 -11.310 -27.034 1.00 0.00 O ATOM 240 OE2 GLU A 19 -9.969 -9.901 -25.592 1.00 0.00 O ATOM 0 HA GLU A 19 -5.803 -7.824 -28.598 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.255 -8.308 -27.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.230 -9.674 -28.352 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.911 -10.184 -25.984 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.788 -8.741 -25.517 1.00 0.00 H new ATOM 247 N VAL A 20 -6.686 -6.569 -25.674 1.00 0.00 N ATOM 248 CA VAL A 20 -7.044 -5.333 -24.988 1.00 0.00 C ATOM 249 C VAL A 20 -5.955 -4.914 -24.007 1.00 0.00 C ATOM 250 O VAL A 20 -5.624 -5.650 -23.076 1.00 0.00 O ATOM 251 CB VAL A 20 -8.376 -5.478 -24.229 1.00 0.00 C ATOM 252 CG1 VAL A 20 -8.878 -4.118 -23.766 1.00 0.00 C ATOM 253 CG2 VAL A 20 -9.413 -6.170 -25.100 1.00 0.00 C ATOM 0 H VAL A 20 -6.559 -7.372 -25.058 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.153 -4.566 -25.754 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.206 -6.095 -23.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.820 -4.241 -23.232 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.141 -3.665 -23.103 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.033 -3.473 -24.631 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.348 -6.264 -24.548 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.582 -5.581 -26.002 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.053 -7.161 -25.376 1.00 0.00 H new ATOM 263 N THR A 21 -5.400 -3.724 -24.219 1.00 0.00 N ATOM 264 CA THR A 21 -4.348 -3.206 -23.354 1.00 0.00 C ATOM 265 C THR A 21 -4.785 -1.918 -22.667 1.00 0.00 C ATOM 266 O THR A 21 -5.613 -1.173 -23.192 1.00 0.00 O ATOM 267 CB THR A 21 -3.052 -2.939 -24.144 1.00 0.00 C ATOM 268 OG1 THR A 21 -2.688 -4.102 -24.896 1.00 0.00 O ATOM 269 CG2 THR A 21 -1.916 -2.559 -23.207 1.00 0.00 C ATOM 0 H THR A 21 -5.662 -3.101 -24.983 1.00 0.00 H new ATOM 0 HA THR A 21 -4.155 -3.969 -22.600 1.00 0.00 H new ATOM 0 HB THR A 21 -3.233 -2.108 -24.826 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.865 -3.923 -25.396 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.012 -2.375 -23.787 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.184 -1.657 -22.657 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.737 -3.372 -22.504 1.00 0.00 H new ATOM 277 N CYS A 22 -4.224 -1.661 -21.491 1.00 0.00 N ATOM 278 CA CYS A 22 -4.556 -0.461 -20.731 1.00 0.00 C ATOM 279 C CYS A 22 -3.728 0.730 -21.205 1.00 0.00 C ATOM 280 O CYS A 22 -2.498 0.685 -21.248 1.00 0.00 O ATOM 281 CB CYS A 22 -4.321 -0.698 -19.237 1.00 0.00 C ATOM 282 SG CYS A 22 -4.753 0.723 -18.183 1.00 0.00 S ATOM 0 H CYS A 22 -3.537 -2.267 -21.043 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.610 -0.236 -20.896 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.905 -1.562 -18.921 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.272 -0.948 -19.080 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.957 0.569 -17.719 1.00 0.00 H new ATOM 287 N PRO A 23 -4.417 1.821 -21.570 1.00 0.00 N ATOM 288 CA PRO A 23 -3.767 3.045 -22.047 1.00 0.00 C ATOM 289 C PRO A 23 -3.014 3.771 -20.937 1.00 0.00 C ATOM 290 O PRO A 23 -2.415 4.823 -21.166 1.00 0.00 O ATOM 291 CB PRO A 23 -4.937 3.897 -22.546 1.00 0.00 C ATOM 292 CG PRO A 23 -6.115 3.413 -21.773 1.00 0.00 C ATOM 293 CD PRO A 23 -5.884 1.944 -21.544 1.00 0.00 C ATOM 0 HA PRO A 23 -3.017 2.838 -22.811 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.757 4.958 -22.371 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.089 3.772 -23.618 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.207 3.946 -20.827 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.040 3.581 -22.325 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.298 1.616 -20.590 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.352 1.338 -22.320 1.00 0.00 H new ATOM 301 N ILE A 24 -3.047 3.204 -19.736 1.00 0.00 N ATOM 302 CA ILE A 24 -2.366 3.798 -18.593 1.00 0.00 C ATOM 303 C ILE A 24 -1.096 3.027 -18.249 1.00 0.00 C ATOM 304 O ILE A 24 0.015 3.503 -18.484 1.00 0.00 O ATOM 305 CB ILE A 24 -3.279 3.840 -17.353 1.00 0.00 C ATOM 306 CG1 ILE A 24 -4.331 4.940 -17.505 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.454 4.058 -16.094 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.604 4.670 -16.733 1.00 0.00 C ATOM 0 H ILE A 24 -3.538 2.334 -19.529 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.104 4.818 -18.876 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.792 2.882 -17.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.906 5.886 -17.170 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.574 5.056 -18.561 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.114 4.085 -15.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.740 3.242 -15.981 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.916 5.003 -16.171 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.304 5.491 -16.887 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.052 3.740 -17.084 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.374 4.584 -15.671 1.00 0.00 H new ATOM 320 N CYS A 25 -1.267 1.833 -17.691 1.00 0.00 N ATOM 321 CA CYS A 25 -0.136 0.994 -17.315 1.00 0.00 C ATOM 322 C CYS A 25 0.483 0.333 -18.544 1.00 0.00 C ATOM 323 O CYS A 25 1.649 -0.064 -18.528 1.00 0.00 O ATOM 324 CB CYS A 25 -0.577 -0.075 -16.314 1.00 0.00 C ATOM 325 SG CYS A 25 -1.984 -1.086 -16.878 1.00 0.00 S ATOM 0 H CYS A 25 -2.180 1.425 -17.489 1.00 0.00 H new ATOM 0 HA CYS A 25 0.617 1.630 -16.848 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.267 -0.732 -16.104 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.845 0.410 -15.375 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.993 -0.313 -17.148 1.00 0.00 H new ATOM 330 N LEU A 26 -0.306 0.218 -19.607 1.00 0.00 N ATOM 331 CA LEU A 26 0.163 -0.395 -20.845 1.00 0.00 C ATOM 332 C LEU A 26 0.629 -1.826 -20.601 1.00 0.00 C ATOM 333 O LEU A 26 1.586 -2.291 -21.220 1.00 0.00 O ATOM 334 CB LEU A 26 1.304 0.430 -21.445 1.00 0.00 C ATOM 335 CG LEU A 26 1.123 1.948 -21.414 1.00 0.00 C ATOM 336 CD1 LEU A 26 2.403 2.647 -21.846 1.00 0.00 C ATOM 337 CD2 LEU A 26 -0.040 2.364 -22.302 1.00 0.00 C ATOM 0 H LEU A 26 -1.273 0.541 -19.636 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.669 -0.419 -21.548 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.223 0.183 -20.913 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.443 0.122 -22.481 1.00 0.00 H new ATOM 0 HG LEU A 26 0.898 2.247 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.255 3.727 -21.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.213 2.374 -21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.659 2.342 -22.861 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.154 3.447 -22.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.156 2.052 -23.328 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.956 1.891 -21.947 1.00 0.00 H new ATOM 349 N GLU A 27 -0.055 -2.520 -19.697 1.00 0.00 N ATOM 350 CA GLU A 27 0.289 -3.900 -19.373 1.00 0.00 C ATOM 351 C GLU A 27 -0.716 -4.870 -19.988 1.00 0.00 C ATOM 352 O GLU A 27 -0.418 -5.552 -20.969 1.00 0.00 O ATOM 353 CB GLU A 27 0.338 -4.094 -17.856 1.00 0.00 C ATOM 354 CG GLU A 27 1.606 -3.555 -17.215 1.00 0.00 C ATOM 355 CD GLU A 27 2.709 -4.594 -17.141 1.00 0.00 C ATOM 356 OE1 GLU A 27 2.853 -5.377 -18.103 1.00 0.00 O ATOM 357 OE2 GLU A 27 3.428 -4.623 -16.120 1.00 0.00 O ATOM 0 H GLU A 27 -0.850 -2.150 -19.176 1.00 0.00 H new ATOM 0 HA GLU A 27 1.273 -4.110 -19.791 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.524 -3.601 -17.407 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.250 -5.157 -17.631 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.959 -2.695 -17.784 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.378 -3.200 -16.210 1.00 0.00 H new ATOM 364 N LEU A 28 -1.909 -4.925 -19.405 1.00 0.00 N ATOM 365 CA LEU A 28 -2.959 -5.812 -19.894 1.00 0.00 C ATOM 366 C LEU A 28 -4.313 -5.428 -19.306 1.00 0.00 C ATOM 367 O LEU A 28 -4.402 -4.990 -18.158 1.00 0.00 O ATOM 368 CB LEU A 28 -2.632 -7.265 -19.545 1.00 0.00 C ATOM 369 CG LEU A 28 -3.803 -8.246 -19.590 1.00 0.00 C ATOM 370 CD1 LEU A 28 -4.471 -8.218 -20.956 1.00 0.00 C ATOM 371 CD2 LEU A 28 -3.333 -9.654 -19.253 1.00 0.00 C ATOM 0 H LEU A 28 -2.173 -4.366 -18.594 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.011 -5.709 -20.978 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.862 -7.618 -20.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.202 -7.289 -18.544 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.536 -7.941 -18.843 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.302 -8.923 -20.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.843 -7.214 -21.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.747 -8.497 -21.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.180 -10.339 -19.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.580 -9.969 -19.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.902 -9.664 -18.252 1.00 0.00 H new ATOM 383 N LEU A 29 -5.366 -5.598 -20.098 1.00 0.00 N ATOM 384 CA LEU A 29 -6.717 -5.272 -19.655 1.00 0.00 C ATOM 385 C LEU A 29 -7.616 -6.503 -19.697 1.00 0.00 C ATOM 386 O LEU A 29 -8.242 -6.795 -20.716 1.00 0.00 O ATOM 387 CB LEU A 29 -7.308 -4.165 -20.530 1.00 0.00 C ATOM 388 CG LEU A 29 -6.986 -2.731 -20.108 1.00 0.00 C ATOM 389 CD1 LEU A 29 -7.895 -1.746 -20.827 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.117 -2.577 -18.600 1.00 0.00 C ATOM 0 H LEU A 29 -5.310 -5.960 -21.050 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.660 -4.922 -18.624 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.955 -4.310 -21.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.391 -4.283 -20.547 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.955 -2.513 -20.387 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.651 -0.731 -20.514 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.752 -1.838 -21.904 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.934 -1.962 -20.579 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.884 -1.550 -18.318 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.137 -2.814 -18.297 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.424 -3.256 -18.103 1.00 0.00 H new ATOM 402 N THR A 30 -7.677 -7.223 -18.581 1.00 0.00 N ATOM 403 CA THR A 30 -8.500 -8.422 -18.489 1.00 0.00 C ATOM 404 C THR A 30 -9.957 -8.070 -18.212 1.00 0.00 C ATOM 405 O THR A 30 -10.831 -8.313 -19.043 1.00 0.00 O ATOM 406 CB THR A 30 -7.993 -9.367 -17.383 1.00 0.00 C ATOM 407 OG1 THR A 30 -6.566 -9.473 -17.444 1.00 0.00 O ATOM 408 CG2 THR A 30 -8.616 -10.748 -17.524 1.00 0.00 C ATOM 0 H THR A 30 -7.166 -6.996 -17.728 1.00 0.00 H new ATOM 0 HA THR A 30 -8.429 -8.929 -19.451 1.00 0.00 H new ATOM 0 HB THR A 30 -8.284 -8.951 -16.419 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.252 -10.074 -16.737 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.243 -11.398 -16.732 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.700 -10.668 -17.447 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.351 -11.169 -18.494 1.00 0.00 H new ATOM 416 N GLN A 31 -10.209 -7.495 -17.041 1.00 0.00 N ATOM 417 CA GLN A 31 -11.562 -7.109 -16.656 1.00 0.00 C ATOM 418 C GLN A 31 -11.661 -5.600 -16.454 1.00 0.00 C ATOM 419 O GLN A 31 -11.974 -5.114 -15.367 1.00 0.00 O ATOM 420 CB GLN A 31 -11.977 -7.835 -15.375 1.00 0.00 C ATOM 421 CG GLN A 31 -11.031 -7.600 -14.209 1.00 0.00 C ATOM 422 CD GLN A 31 -11.706 -7.784 -12.864 1.00 0.00 C ATOM 423 OE1 GLN A 31 -12.451 -8.743 -12.656 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.450 -6.864 -11.941 1.00 0.00 N ATOM 0 H GLN A 31 -9.495 -7.286 -16.343 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.238 -7.394 -17.462 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.978 -7.510 -15.091 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.034 -8.905 -15.576 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.188 -8.287 -14.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.626 -6.590 -14.273 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.827 -6.086 -12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.877 -6.936 -11.017 1.00 0.00 H new ATOM 433 N PRO A 32 -11.388 -4.840 -17.525 1.00 0.00 N ATOM 434 CA PRO A 32 -11.439 -3.376 -17.490 1.00 0.00 C ATOM 435 C PRO A 32 -12.864 -2.849 -17.357 1.00 0.00 C ATOM 436 O PRO A 32 -13.816 -3.624 -17.255 1.00 0.00 O ATOM 437 CB PRO A 32 -10.842 -2.967 -18.839 1.00 0.00 C ATOM 438 CG PRO A 32 -11.088 -4.135 -19.731 1.00 0.00 C ATOM 439 CD PRO A 32 -11.008 -5.352 -18.852 1.00 0.00 C ATOM 0 HA PRO A 32 -10.904 -2.970 -16.631 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.318 -2.066 -19.226 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.777 -2.752 -18.752 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.065 -4.062 -20.209 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.346 -4.180 -20.528 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.686 -6.136 -19.189 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.005 -5.778 -18.846 1.00 0.00 H new ATOM 447 N LEU A 33 -13.004 -1.528 -17.360 1.00 0.00 N ATOM 448 CA LEU A 33 -14.314 -0.897 -17.240 1.00 0.00 C ATOM 449 C LEU A 33 -14.759 -0.309 -18.576 1.00 0.00 C ATOM 450 O LEU A 33 -13.939 -0.056 -19.458 1.00 0.00 O ATOM 451 CB LEU A 33 -14.279 0.199 -16.174 1.00 0.00 C ATOM 452 CG LEU A 33 -13.771 -0.223 -14.795 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.968 0.898 -13.787 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.476 -1.490 -14.331 1.00 0.00 C ATOM 0 H LEU A 33 -12.227 -0.873 -17.444 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.032 -1.661 -16.942 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.651 1.012 -16.538 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.286 0.601 -16.061 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.704 -0.432 -14.871 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.601 0.579 -12.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.417 1.780 -14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.028 1.139 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.102 -1.775 -13.348 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.549 -1.308 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.283 -2.295 -15.040 1.00 0.00 H new ATOM 466 N SER A 34 -16.063 -0.091 -18.715 1.00 0.00 N ATOM 467 CA SER A 34 -16.617 0.466 -19.943 1.00 0.00 C ATOM 468 C SER A 34 -17.122 1.888 -19.715 1.00 0.00 C ATOM 469 O SER A 34 -17.484 2.259 -18.598 1.00 0.00 O ATOM 470 CB SER A 34 -17.757 -0.415 -20.460 1.00 0.00 C ATOM 471 OG SER A 34 -18.236 0.051 -21.709 1.00 0.00 O ATOM 0 H SER A 34 -16.755 -0.292 -17.993 1.00 0.00 H new ATOM 0 HA SER A 34 -15.823 0.496 -20.689 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.409 -1.443 -20.561 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.571 -0.424 -19.735 1.00 0.00 H new ATOM 0 HG SER A 34 -18.962 -0.530 -22.018 1.00 0.00 H new ATOM 477 N LEU A 35 -17.144 2.679 -20.782 1.00 0.00 N ATOM 478 CA LEU A 35 -17.605 4.061 -20.700 1.00 0.00 C ATOM 479 C LEU A 35 -18.459 4.423 -21.911 1.00 0.00 C ATOM 480 O LEU A 35 -18.588 3.637 -22.849 1.00 0.00 O ATOM 481 CB LEU A 35 -16.411 5.012 -20.602 1.00 0.00 C ATOM 482 CG LEU A 35 -15.411 4.721 -19.482 1.00 0.00 C ATOM 483 CD1 LEU A 35 -14.082 5.406 -19.762 1.00 0.00 C ATOM 484 CD2 LEU A 35 -15.970 5.166 -18.139 1.00 0.00 C ATOM 0 H LEU A 35 -16.848 2.388 -21.714 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.217 4.161 -19.804 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.877 4.992 -21.552 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.789 6.026 -20.470 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.241 3.645 -19.443 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.383 5.188 -18.955 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.675 5.039 -20.704 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.235 6.483 -19.828 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.245 4.951 -17.354 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.170 6.237 -18.165 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.896 4.629 -17.934 1.00 0.00 H new ATOM 496 N ASP A 36 -19.039 5.618 -21.883 1.00 0.00 N ATOM 497 CA ASP A 36 -19.879 6.086 -22.979 1.00 0.00 C ATOM 498 C ASP A 36 -19.050 6.836 -24.017 1.00 0.00 C ATOM 499 O ASP A 36 -19.554 7.722 -24.707 1.00 0.00 O ATOM 500 CB ASP A 36 -20.993 6.989 -22.447 1.00 0.00 C ATOM 501 CG ASP A 36 -20.453 8.209 -21.726 1.00 0.00 C ATOM 502 OD1 ASP A 36 -20.192 9.229 -22.397 1.00 0.00 O ATOM 503 OD2 ASP A 36 -20.293 8.143 -20.489 1.00 0.00 O ATOM 0 H ASP A 36 -18.943 6.280 -21.113 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.327 5.215 -23.458 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -21.624 7.310 -23.276 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.626 6.419 -21.767 1.00 0.00 H new ATOM 508 N CYS A 37 -17.775 6.476 -24.121 1.00 0.00 N ATOM 509 CA CYS A 37 -16.875 7.115 -25.072 1.00 0.00 C ATOM 510 C CYS A 37 -16.226 6.080 -25.987 1.00 0.00 C ATOM 511 O CYS A 37 -16.052 6.315 -27.182 1.00 0.00 O ATOM 512 CB CYS A 37 -15.795 7.906 -24.332 1.00 0.00 C ATOM 513 SG CYS A 37 -14.592 6.868 -23.441 1.00 0.00 S ATOM 0 H CYS A 37 -17.342 5.744 -23.557 1.00 0.00 H new ATOM 0 HA CYS A 37 -17.461 7.799 -25.685 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -15.260 8.529 -25.049 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -16.275 8.579 -23.621 1.00 0.00 H new ATOM 0 HG CYS A 37 -13.556 7.584 -23.118 1.00 0.00 H new ATOM 518 N GLY A 38 -15.870 4.934 -25.416 1.00 0.00 N ATOM 519 CA GLY A 38 -15.245 3.880 -26.193 1.00 0.00 C ATOM 520 C GLY A 38 -13.812 3.622 -25.774 1.00 0.00 C ATOM 521 O GLY A 38 -12.933 3.440 -26.618 1.00 0.00 O ATOM 0 H GLY A 38 -16.003 4.716 -24.428 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.823 2.962 -26.085 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.269 4.149 -27.249 1.00 0.00 H new ATOM 525 N HIS A 39 -13.572 3.608 -24.467 1.00 0.00 N ATOM 526 CA HIS A 39 -12.234 3.373 -23.936 1.00 0.00 C ATOM 527 C HIS A 39 -12.301 2.646 -22.597 1.00 0.00 C ATOM 528 O HIS A 39 -13.002 3.076 -21.680 1.00 0.00 O ATOM 529 CB HIS A 39 -11.486 4.696 -23.775 1.00 0.00 C ATOM 530 CG HIS A 39 -11.320 5.451 -25.059 1.00 0.00 C ATOM 531 ND1 HIS A 39 -11.606 6.793 -25.184 1.00 0.00 N ATOM 532 CD2 HIS A 39 -10.893 5.043 -26.277 1.00 0.00 C ATOM 533 CE1 HIS A 39 -11.364 7.179 -26.425 1.00 0.00 C ATOM 534 NE2 HIS A 39 -10.930 6.135 -27.108 1.00 0.00 N ATOM 0 H HIS A 39 -14.287 3.757 -23.755 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.694 2.744 -24.644 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.022 5.322 -23.062 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.502 4.498 -23.350 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.951 7.395 -24.436 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.581 4.044 -26.545 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.498 8.178 -26.814 1.00 0.00 H new ATOM 542 N SER A 40 -11.568 1.542 -22.490 1.00 0.00 N ATOM 543 CA SER A 40 -11.547 0.753 -21.264 1.00 0.00 C ATOM 544 C SER A 40 -10.304 1.066 -20.438 1.00 0.00 C ATOM 545 O SER A 40 -9.322 1.602 -20.951 1.00 0.00 O ATOM 546 CB SER A 40 -11.593 -0.740 -21.592 1.00 0.00 C ATOM 547 OG SER A 40 -12.243 -0.970 -22.831 1.00 0.00 O ATOM 0 H SER A 40 -10.981 1.174 -23.238 1.00 0.00 H new ATOM 0 HA SER A 40 -12.427 1.016 -20.677 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.579 -1.139 -21.630 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.116 -1.274 -20.799 1.00 0.00 H new ATOM 0 HG SER A 40 -12.258 -1.932 -23.019 1.00 0.00 H new ATOM 553 N PHE A 41 -10.353 0.726 -19.154 1.00 0.00 N ATOM 554 CA PHE A 41 -9.232 0.971 -18.254 1.00 0.00 C ATOM 555 C PHE A 41 -9.291 0.041 -17.046 1.00 0.00 C ATOM 556 O PHE A 41 -10.232 -0.738 -16.893 1.00 0.00 O ATOM 557 CB PHE A 41 -9.231 2.429 -17.791 1.00 0.00 C ATOM 558 CG PHE A 41 -9.289 3.417 -18.920 1.00 0.00 C ATOM 559 CD1 PHE A 41 -10.482 3.666 -19.579 1.00 0.00 C ATOM 560 CD2 PHE A 41 -8.151 4.098 -19.322 1.00 0.00 C ATOM 561 CE1 PHE A 41 -10.538 4.575 -20.619 1.00 0.00 C ATOM 562 CE2 PHE A 41 -8.201 5.007 -20.362 1.00 0.00 C ATOM 563 CZ PHE A 41 -9.397 5.247 -21.010 1.00 0.00 C ATOM 0 H PHE A 41 -11.157 0.280 -18.713 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.310 0.770 -18.800 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.083 2.593 -17.131 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.332 2.614 -17.203 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.378 3.144 -19.277 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.214 3.916 -18.817 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.474 4.759 -21.125 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.306 5.529 -20.668 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.440 5.959 -21.821 1.00 0.00 H new ATOM 573 N CYS A 42 -8.278 0.128 -16.190 1.00 0.00 N ATOM 574 CA CYS A 42 -8.213 -0.705 -14.995 1.00 0.00 C ATOM 575 C CYS A 42 -8.984 -0.066 -13.844 1.00 0.00 C ATOM 576 O CYS A 42 -8.783 1.105 -13.524 1.00 0.00 O ATOM 577 CB CYS A 42 -6.756 -0.930 -14.585 1.00 0.00 C ATOM 578 SG CYS A 42 -5.746 -1.761 -15.853 1.00 0.00 S ATOM 0 H CYS A 42 -7.491 0.767 -16.302 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.672 -1.666 -15.226 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.303 0.033 -14.349 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.735 -1.525 -13.672 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.269 -0.876 -16.677 1.00 0.00 H new ATOM 583 N GLN A 43 -9.866 -0.845 -13.226 1.00 0.00 N ATOM 584 CA GLN A 43 -10.668 -0.355 -12.111 1.00 0.00 C ATOM 585 C GLN A 43 -9.814 0.457 -11.142 1.00 0.00 C ATOM 586 O GLN A 43 -10.330 1.276 -10.382 1.00 0.00 O ATOM 587 CB GLN A 43 -11.323 -1.525 -11.374 1.00 0.00 C ATOM 588 CG GLN A 43 -12.066 -1.110 -10.114 1.00 0.00 C ATOM 589 CD GLN A 43 -13.393 -0.440 -10.412 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.419 -1.105 -10.556 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.379 0.884 -10.506 1.00 0.00 N ATOM 0 H GLN A 43 -10.043 -1.817 -13.478 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.446 0.294 -12.513 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.019 -2.025 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.556 -2.253 -11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.239 -1.989 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.441 -0.429 -9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.505 1.395 -10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.242 1.390 -10.705 1.00 0.00 H new ATOM 600 N ALA A 44 -8.506 0.223 -11.175 1.00 0.00 N ATOM 601 CA ALA A 44 -7.581 0.934 -10.301 1.00 0.00 C ATOM 602 C ALA A 44 -6.965 2.134 -11.014 1.00 0.00 C ATOM 603 O ALA A 44 -7.064 3.267 -10.542 1.00 0.00 O ATOM 604 CB ALA A 44 -6.491 -0.006 -9.809 1.00 0.00 C ATOM 0 H ALA A 44 -8.063 -0.453 -11.797 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.142 1.303 -9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.808 0.539 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.943 -0.829 -9.255 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.940 -0.403 -10.662 1.00 0.00 H new ATOM 610 N CYS A 45 -6.328 1.877 -12.151 1.00 0.00 N ATOM 611 CA CYS A 45 -5.695 2.935 -12.929 1.00 0.00 C ATOM 612 C CYS A 45 -6.618 4.143 -13.058 1.00 0.00 C ATOM 613 O CYS A 45 -6.172 5.290 -12.993 1.00 0.00 O ATOM 614 CB CYS A 45 -5.316 2.419 -14.318 1.00 0.00 C ATOM 615 SG CYS A 45 -3.983 1.176 -14.312 1.00 0.00 S ATOM 0 H CYS A 45 -6.236 0.945 -12.554 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.791 3.245 -12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.200 1.986 -14.787 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.009 3.263 -14.936 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.383 0.107 -14.935 1.00 0.00 H new ATOM 620 N LEU A 46 -7.907 3.878 -13.241 1.00 0.00 N ATOM 621 CA LEU A 46 -8.895 4.943 -13.379 1.00 0.00 C ATOM 622 C LEU A 46 -8.996 5.761 -12.096 1.00 0.00 C ATOM 623 O LEU A 46 -9.020 6.992 -12.131 1.00 0.00 O ATOM 624 CB LEU A 46 -10.262 4.355 -13.731 1.00 0.00 C ATOM 625 CG LEU A 46 -10.587 4.259 -15.222 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.657 3.206 -15.469 1.00 0.00 C ATOM 627 CD2 LEU A 46 -11.034 5.611 -15.759 1.00 0.00 C ATOM 0 H LEU A 46 -8.292 2.935 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.572 5.603 -14.184 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.327 3.356 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.030 4.960 -13.250 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.683 3.960 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.875 3.152 -16.536 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.300 2.236 -15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.564 3.474 -14.926 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.261 5.523 -16.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.925 5.939 -15.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.237 6.340 -15.617 1.00 0.00 H new ATOM 639 N THR A 47 -9.054 5.070 -10.962 1.00 0.00 N ATOM 640 CA THR A 47 -9.152 5.731 -9.667 1.00 0.00 C ATOM 641 C THR A 47 -7.925 6.596 -9.397 1.00 0.00 C ATOM 642 O THR A 47 -8.044 7.736 -8.950 1.00 0.00 O ATOM 643 CB THR A 47 -9.307 4.710 -8.524 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.527 3.977 -8.685 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.303 5.407 -7.172 1.00 0.00 C ATOM 0 H THR A 47 -9.035 4.051 -10.915 1.00 0.00 H new ATOM 0 HA THR A 47 -10.039 6.363 -9.702 1.00 0.00 H new ATOM 0 HB THR A 47 -8.462 4.022 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.354 3.164 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.414 4.666 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.362 5.941 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.131 6.115 -7.125 1.00 0.00 H new ATOM 653 N ALA A 48 -6.747 6.045 -9.672 1.00 0.00 N ATOM 654 CA ALA A 48 -5.499 6.767 -9.462 1.00 0.00 C ATOM 655 C ALA A 48 -5.361 7.924 -10.446 1.00 0.00 C ATOM 656 O ALA A 48 -5.000 9.037 -10.064 1.00 0.00 O ATOM 657 CB ALA A 48 -4.314 5.821 -9.588 1.00 0.00 C ATOM 0 H ALA A 48 -6.631 5.101 -10.041 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.514 7.182 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.388 6.374 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.398 5.031 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.306 5.379 -10.584 1.00 0.00 H new ATOM 663 N ASN A 49 -5.650 7.654 -11.714 1.00 0.00 N ATOM 664 CA ASN A 49 -5.557 8.673 -12.754 1.00 0.00 C ATOM 665 C ASN A 49 -6.471 9.854 -12.441 1.00 0.00 C ATOM 666 O ASN A 49 -6.030 11.003 -12.412 1.00 0.00 O ATOM 667 CB ASN A 49 -5.923 8.078 -14.115 1.00 0.00 C ATOM 668 CG ASN A 49 -5.740 9.070 -15.247 1.00 0.00 C ATOM 669 OD1 ASN A 49 -6.702 9.450 -15.915 1.00 0.00 O ATOM 670 ND2 ASN A 49 -4.501 9.493 -15.469 1.00 0.00 N ATOM 0 H ASN A 49 -5.951 6.738 -12.047 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.528 9.031 -12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.306 7.199 -14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.959 7.741 -14.095 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.316 10.160 -16.218 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.734 9.151 -14.890 1.00 0.00 H new ATOM 677 N HIS A 50 -7.747 9.562 -12.206 1.00 0.00 N ATOM 678 CA HIS A 50 -8.723 10.600 -11.894 1.00 0.00 C ATOM 679 C HIS A 50 -8.144 11.613 -10.911 1.00 0.00 C ATOM 680 O HIS A 50 -8.233 12.822 -11.125 1.00 0.00 O ATOM 681 CB HIS A 50 -9.993 9.976 -11.313 1.00 0.00 C ATOM 682 CG HIS A 50 -10.803 9.219 -12.319 1.00 0.00 C ATOM 683 ND1 HIS A 50 -11.625 8.164 -11.983 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.915 9.369 -13.659 1.00 0.00 C ATOM 685 CE1 HIS A 50 -12.206 7.697 -13.073 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.793 8.411 -14.104 1.00 0.00 N ATOM 0 H HIS A 50 -8.128 8.616 -12.226 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.972 11.120 -12.819 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.718 9.304 -10.500 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.610 10.764 -10.881 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.408 10.105 -14.266 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.901 6.871 -13.114 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.079 8.274 -15.073 1.00 0.00 H new ATOM 694 N LYS A 51 -7.551 11.112 -9.833 1.00 0.00 N ATOM 695 CA LYS A 51 -6.956 11.972 -8.817 1.00 0.00 C ATOM 696 C LYS A 51 -5.802 12.783 -9.398 1.00 0.00 C ATOM 697 O LYS A 51 -5.574 13.927 -9.005 1.00 0.00 O ATOM 698 CB LYS A 51 -6.461 11.134 -7.636 1.00 0.00 C ATOM 699 CG LYS A 51 -7.549 10.795 -6.632 1.00 0.00 C ATOM 700 CD LYS A 51 -7.275 9.471 -5.938 1.00 0.00 C ATOM 701 CE LYS A 51 -6.112 9.583 -4.964 1.00 0.00 C ATOM 702 NZ LYS A 51 -6.474 10.378 -3.757 1.00 0.00 N ATOM 0 H LYS A 51 -7.470 10.114 -9.640 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.723 12.663 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.027 10.209 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.664 11.675 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.619 11.589 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.512 10.748 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.168 9.147 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.055 8.707 -6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.795 8.585 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.263 10.048 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.745 10.250 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.538 11.385 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.392 10.055 -3.391 1.00 0.00 H new ATOM 716 N LYS A 52 -5.078 12.183 -10.336 1.00 0.00 N ATOM 717 CA LYS A 52 -3.949 12.850 -10.974 1.00 0.00 C ATOM 718 C LYS A 52 -4.363 14.208 -11.532 1.00 0.00 C ATOM 719 O LYS A 52 -3.679 15.210 -11.324 1.00 0.00 O ATOM 720 CB LYS A 52 -3.382 11.977 -12.096 1.00 0.00 C ATOM 721 CG LYS A 52 -2.036 12.452 -12.616 1.00 0.00 C ATOM 722 CD LYS A 52 -2.197 13.453 -13.747 1.00 0.00 C ATOM 723 CE LYS A 52 -1.027 14.424 -13.802 1.00 0.00 C ATOM 724 NZ LYS A 52 -1.087 15.297 -15.007 1.00 0.00 N ATOM 0 H LYS A 52 -5.253 11.236 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.178 13.007 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.281 10.954 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.093 11.954 -12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.471 12.908 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.458 11.597 -12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.276 12.922 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.126 14.008 -13.614 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.026 15.043 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.091 13.865 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.936 16.287 -14.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.348 15.011 -15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.020 15.204 -15.457 1.00 0.00 H new ATOM 738 N SER A 53 -5.488 14.233 -12.241 1.00 0.00 N ATOM 739 CA SER A 53 -5.992 15.468 -12.830 1.00 0.00 C ATOM 740 C SER A 53 -6.292 16.503 -11.750 1.00 0.00 C ATOM 741 O SER A 53 -6.007 17.689 -11.915 1.00 0.00 O ATOM 742 CB SER A 53 -7.253 15.189 -13.650 1.00 0.00 C ATOM 743 OG SER A 53 -8.353 14.889 -12.807 1.00 0.00 O ATOM 0 H SER A 53 -6.067 13.413 -12.421 1.00 0.00 H new ATOM 0 HA SER A 53 -5.221 15.869 -13.488 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.489 16.056 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.073 14.355 -14.328 1.00 0.00 H new ATOM 0 HG SER A 53 -8.062 14.284 -12.093 1.00 0.00 H new ATOM 749 N MET A 54 -6.870 16.045 -10.645 1.00 0.00 N ATOM 750 CA MET A 54 -7.209 16.930 -9.536 1.00 0.00 C ATOM 751 C MET A 54 -6.125 17.984 -9.332 1.00 0.00 C ATOM 752 O MET A 54 -6.396 19.079 -8.839 1.00 0.00 O ATOM 753 CB MET A 54 -7.399 16.122 -8.251 1.00 0.00 C ATOM 754 CG MET A 54 -8.455 15.035 -8.368 1.00 0.00 C ATOM 755 SD MET A 54 -10.122 15.700 -8.535 1.00 0.00 S ATOM 756 CE MET A 54 -10.603 15.014 -10.118 1.00 0.00 C ATOM 0 H MET A 54 -7.114 15.066 -10.493 1.00 0.00 H new ATOM 0 HA MET A 54 -8.143 17.436 -9.780 1.00 0.00 H new ATOM 0 HB2 MET A 54 -6.449 15.666 -7.974 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.674 16.799 -7.443 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.231 14.407 -9.230 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.410 14.394 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.442 15.581 -10.520 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.762 15.070 -10.809 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.898 13.973 -9.989 1.00 0.00 H new ATOM 766 N LEU A 55 -4.898 17.647 -9.715 1.00 0.00 N ATOM 767 CA LEU A 55 -3.774 18.565 -9.573 1.00 0.00 C ATOM 768 C LEU A 55 -3.466 19.256 -10.898 1.00 0.00 C ATOM 769 O LEU A 55 -3.224 20.463 -10.938 1.00 0.00 O ATOM 770 CB LEU A 55 -2.537 17.814 -9.077 1.00 0.00 C ATOM 771 CG LEU A 55 -2.669 17.127 -7.718 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.327 15.764 -7.870 1.00 0.00 C ATOM 773 CD2 LEU A 55 -1.306 16.992 -7.053 1.00 0.00 C ATOM 0 H LEU A 55 -4.657 16.745 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.047 19.326 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.273 17.060 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.706 18.517 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.302 17.744 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.412 15.290 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.320 15.886 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.721 15.138 -8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.420 16.501 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.649 16.397 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.872 17.981 -6.908 1.00 0.00 H new ATOM 785 N ASP A 56 -3.478 18.485 -11.979 1.00 0.00 N ATOM 786 CA ASP A 56 -3.203 19.024 -13.306 1.00 0.00 C ATOM 787 C ASP A 56 -4.294 20.002 -13.732 1.00 0.00 C ATOM 788 O ASP A 56 -4.068 21.211 -13.795 1.00 0.00 O ATOM 789 CB ASP A 56 -3.090 17.890 -14.327 1.00 0.00 C ATOM 790 CG ASP A 56 -2.426 18.336 -15.615 1.00 0.00 C ATOM 791 OD1 ASP A 56 -2.631 19.500 -16.016 1.00 0.00 O ATOM 792 OD2 ASP A 56 -1.703 17.519 -16.223 1.00 0.00 O ATOM 0 H ASP A 56 -3.675 17.484 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.255 19.561 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.519 17.069 -13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.085 17.504 -14.549 1.00 0.00 H new ATOM 797 N LYS A 57 -5.476 19.471 -14.024 1.00 0.00 N ATOM 798 CA LYS A 57 -6.603 20.295 -14.444 1.00 0.00 C ATOM 799 C LYS A 57 -7.591 20.490 -13.298 1.00 0.00 C ATOM 800 O LYS A 57 -8.002 21.612 -13.004 1.00 0.00 O ATOM 801 CB LYS A 57 -7.312 19.656 -15.640 1.00 0.00 C ATOM 802 CG LYS A 57 -6.398 19.409 -16.828 1.00 0.00 C ATOM 803 CD LYS A 57 -6.160 20.682 -17.622 1.00 0.00 C ATOM 804 CE LYS A 57 -7.241 20.894 -18.671 1.00 0.00 C ATOM 805 NZ LYS A 57 -7.300 22.310 -19.130 1.00 0.00 N ATOM 0 H LYS A 57 -5.679 18.472 -13.977 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.217 21.271 -14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.752 18.709 -15.327 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.133 20.301 -15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.444 19.013 -16.479 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.839 18.652 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.136 21.536 -16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.185 20.633 -18.107 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.051 20.243 -19.525 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.208 20.605 -18.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.049 22.413 -19.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.507 22.929 -18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.386 22.578 -19.546 1.00 0.00 H new ATOM 819 N GLY A 58 -7.968 19.390 -12.654 1.00 0.00 N ATOM 820 CA GLY A 58 -8.904 19.462 -11.547 1.00 0.00 C ATOM 821 C GLY A 58 -10.057 18.490 -11.699 1.00 0.00 C ATOM 822 O GLY A 58 -10.563 17.959 -10.711 1.00 0.00 O ATOM 0 H GLY A 58 -7.642 18.450 -12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.377 19.253 -10.616 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.295 20.476 -11.472 1.00 0.00 H new ATOM 826 N GLU A 59 -10.474 18.257 -12.939 1.00 0.00 N ATOM 827 CA GLU A 59 -11.577 17.344 -13.215 1.00 0.00 C ATOM 828 C GLU A 59 -11.062 16.026 -13.787 1.00 0.00 C ATOM 829 O GLU A 59 -10.219 16.014 -14.684 1.00 0.00 O ATOM 830 CB GLU A 59 -12.566 17.984 -14.191 1.00 0.00 C ATOM 831 CG GLU A 59 -13.256 19.219 -13.636 1.00 0.00 C ATOM 832 CD GLU A 59 -12.281 20.334 -13.311 1.00 0.00 C ATOM 833 OE1 GLU A 59 -11.512 20.732 -14.210 1.00 0.00 O ATOM 834 OE2 GLU A 59 -12.289 20.810 -12.156 1.00 0.00 O ATOM 0 H GLU A 59 -10.065 18.688 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.088 17.137 -12.275 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.038 18.253 -15.106 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.322 17.248 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.986 19.579 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.807 18.949 -12.735 1.00 0.00 H new ATOM 841 N SER A 60 -11.574 14.919 -13.260 1.00 0.00 N ATOM 842 CA SER A 60 -11.164 13.595 -13.714 1.00 0.00 C ATOM 843 C SER A 60 -12.073 13.099 -14.835 1.00 0.00 C ATOM 844 O SER A 60 -13.289 13.286 -14.791 1.00 0.00 O ATOM 845 CB SER A 60 -11.184 12.604 -12.549 1.00 0.00 C ATOM 846 OG SER A 60 -12.438 12.619 -11.889 1.00 0.00 O ATOM 0 H SER A 60 -12.274 14.912 -12.518 1.00 0.00 H new ATOM 0 HA SER A 60 -10.148 13.669 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.976 11.600 -12.918 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.394 12.854 -11.841 1.00 0.00 H new ATOM 0 HG SER A 60 -12.426 11.976 -11.149 1.00 0.00 H new ATOM 852 N SER A 61 -11.473 12.466 -15.838 1.00 0.00 N ATOM 853 CA SER A 61 -12.227 11.945 -16.972 1.00 0.00 C ATOM 854 C SER A 61 -11.331 11.113 -17.884 1.00 0.00 C ATOM 855 O SER A 61 -10.108 11.117 -17.744 1.00 0.00 O ATOM 856 CB SER A 61 -12.854 13.094 -17.765 1.00 0.00 C ATOM 857 OG SER A 61 -14.012 13.590 -17.115 1.00 0.00 O ATOM 0 H SER A 61 -10.468 12.302 -15.888 1.00 0.00 H new ATOM 0 HA SER A 61 -13.019 11.303 -16.586 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.127 13.898 -17.883 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.114 12.750 -18.766 1.00 0.00 H new ATOM 0 HG SER A 61 -14.029 13.271 -16.189 1.00 0.00 H new ATOM 863 N CYS A 62 -11.949 10.399 -18.819 1.00 0.00 N ATOM 864 CA CYS A 62 -11.210 9.561 -19.755 1.00 0.00 C ATOM 865 C CYS A 62 -9.880 10.208 -20.132 1.00 0.00 C ATOM 866 O CYS A 62 -9.831 11.240 -20.801 1.00 0.00 O ATOM 867 CB CYS A 62 -12.042 9.309 -21.014 1.00 0.00 C ATOM 868 SG CYS A 62 -11.344 8.046 -22.127 1.00 0.00 S ATOM 0 H CYS A 62 -12.961 10.384 -18.948 1.00 0.00 H new ATOM 0 HA CYS A 62 -11.005 8.608 -19.267 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -13.045 9.003 -20.718 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -12.144 10.245 -21.563 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.745 7.131 -21.424 1.00 0.00 H new ATOM 873 N PRO A 63 -8.775 9.587 -19.694 1.00 0.00 N ATOM 874 CA PRO A 63 -7.424 10.084 -19.973 1.00 0.00 C ATOM 875 C PRO A 63 -7.044 9.934 -21.442 1.00 0.00 C ATOM 876 O PRO A 63 -5.935 10.284 -21.846 1.00 0.00 O ATOM 877 CB PRO A 63 -6.533 9.200 -19.097 1.00 0.00 C ATOM 878 CG PRO A 63 -7.311 7.944 -18.910 1.00 0.00 C ATOM 879 CD PRO A 63 -8.758 8.352 -18.891 1.00 0.00 C ATOM 0 HA PRO A 63 -7.330 11.149 -19.762 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.575 9.004 -19.578 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.318 9.678 -18.141 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.115 7.239 -19.718 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.033 7.448 -17.980 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.398 7.583 -19.323 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.113 8.528 -17.875 1.00 0.00 H new ATOM 887 N VAL A 64 -7.972 9.412 -22.239 1.00 0.00 N ATOM 888 CA VAL A 64 -7.734 9.217 -23.664 1.00 0.00 C ATOM 889 C VAL A 64 -8.419 10.301 -24.488 1.00 0.00 C ATOM 890 O VAL A 64 -7.814 10.893 -25.383 1.00 0.00 O ATOM 891 CB VAL A 64 -8.234 7.838 -24.133 1.00 0.00 C ATOM 892 CG1 VAL A 64 -8.002 7.666 -25.626 1.00 0.00 C ATOM 893 CG2 VAL A 64 -7.550 6.729 -23.347 1.00 0.00 C ATOM 0 H VAL A 64 -8.895 9.117 -21.921 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.656 9.275 -23.816 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.306 7.776 -23.947 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.361 6.686 -25.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.542 8.441 -26.170 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.936 7.747 -25.840 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.915 5.761 -23.691 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.472 6.786 -23.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.772 6.844 -22.286 1.00 0.00 H new ATOM 903 N CYS A 65 -9.686 10.558 -24.181 1.00 0.00 N ATOM 904 CA CYS A 65 -10.456 11.571 -24.893 1.00 0.00 C ATOM 905 C CYS A 65 -11.028 12.601 -23.923 1.00 0.00 C ATOM 906 O CYS A 65 -11.388 13.710 -24.320 1.00 0.00 O ATOM 907 CB CYS A 65 -11.589 10.917 -25.687 1.00 0.00 C ATOM 908 SG CYS A 65 -12.893 10.180 -24.650 1.00 0.00 S ATOM 0 H CYS A 65 -10.202 10.078 -23.443 1.00 0.00 H new ATOM 0 HA CYS A 65 -9.785 12.082 -25.584 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -12.038 11.664 -26.341 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -11.169 10.143 -26.329 1.00 0.00 H new ATOM 0 HG CYS A 65 -12.351 9.416 -23.749 1.00 0.00 H new ATOM 913 N ARG A 66 -11.109 12.226 -22.651 1.00 0.00 N ATOM 914 CA ARG A 66 -11.637 13.116 -21.624 1.00 0.00 C ATOM 915 C ARG A 66 -13.114 13.412 -21.869 1.00 0.00 C ATOM 916 O ARG A 66 -13.540 14.567 -21.832 1.00 0.00 O ATOM 917 CB ARG A 66 -10.843 14.423 -21.593 1.00 0.00 C ATOM 918 CG ARG A 66 -9.336 14.220 -21.606 1.00 0.00 C ATOM 919 CD ARG A 66 -8.809 13.871 -20.223 1.00 0.00 C ATOM 920 NE ARG A 66 -8.587 15.060 -19.406 1.00 0.00 N ATOM 921 CZ ARG A 66 -7.707 15.115 -18.412 1.00 0.00 C ATOM 922 NH1 ARG A 66 -6.970 14.054 -18.115 1.00 0.00 N ATOM 923 NH2 ARG A 66 -7.563 16.234 -17.714 1.00 0.00 N ATOM 0 H ARG A 66 -10.816 11.312 -22.307 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.538 12.616 -20.660 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.127 15.031 -22.452 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.118 14.984 -20.700 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.081 13.424 -22.305 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.849 15.127 -21.964 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.518 13.213 -19.720 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.875 13.318 -20.320 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.138 15.894 -19.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.078 13.192 -18.650 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.295 14.099 -17.351 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.128 17.053 -17.940 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.887 16.276 -16.951 1.00 0.00 H new ATOM 937 N ILE A 67 -13.889 12.362 -22.121 1.00 0.00 N ATOM 938 CA ILE A 67 -15.317 12.510 -22.372 1.00 0.00 C ATOM 939 C ILE A 67 -16.019 13.159 -21.184 1.00 0.00 C ATOM 940 O ILE A 67 -15.564 13.051 -20.046 1.00 0.00 O ATOM 941 CB ILE A 67 -15.980 11.152 -22.667 1.00 0.00 C ATOM 942 CG1 ILE A 67 -17.337 11.359 -23.344 1.00 0.00 C ATOM 943 CG2 ILE A 67 -16.139 10.350 -21.384 1.00 0.00 C ATOM 944 CD1 ILE A 67 -17.231 11.873 -24.763 1.00 0.00 C ATOM 0 H ILE A 67 -13.552 11.400 -22.157 1.00 0.00 H new ATOM 0 HA ILE A 67 -15.419 13.152 -23.247 1.00 0.00 H new ATOM 0 HB ILE A 67 -15.338 10.591 -23.346 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -17.880 10.414 -23.348 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -17.925 12.062 -22.754 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -16.609 9.393 -21.609 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -15.159 10.177 -20.939 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -16.763 10.905 -20.683 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -18.230 11.996 -25.181 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -16.716 12.834 -24.764 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -16.670 11.160 -25.367 1.00 0.00 H new ATOM 956 N SER A 68 -17.133 13.832 -21.457 1.00 0.00 N ATOM 957 CA SER A 68 -17.898 14.500 -20.411 1.00 0.00 C ATOM 958 C SER A 68 -18.784 13.505 -19.667 1.00 0.00 C ATOM 959 O SER A 68 -19.717 12.939 -20.238 1.00 0.00 O ATOM 960 CB SER A 68 -18.756 15.615 -21.011 1.00 0.00 C ATOM 961 OG SER A 68 -18.986 16.646 -20.066 1.00 0.00 O ATOM 0 H SER A 68 -17.525 13.929 -22.394 1.00 0.00 H new ATOM 0 HA SER A 68 -17.194 14.935 -19.701 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.260 16.027 -21.890 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.709 15.205 -21.346 1.00 0.00 H new ATOM 0 HG SER A 68 -19.535 17.347 -20.474 1.00 0.00 H new ATOM 967 N TYR A 69 -18.487 13.298 -18.389 1.00 0.00 N ATOM 968 CA TYR A 69 -19.254 12.371 -17.566 1.00 0.00 C ATOM 969 C TYR A 69 -18.772 12.400 -16.119 1.00 0.00 C ATOM 970 O TYR A 69 -17.788 13.064 -15.795 1.00 0.00 O ATOM 971 CB TYR A 69 -19.143 10.950 -18.124 1.00 0.00 C ATOM 972 CG TYR A 69 -17.810 10.293 -17.847 1.00 0.00 C ATOM 973 CD1 TYR A 69 -16.621 10.993 -18.010 1.00 0.00 C ATOM 974 CD2 TYR A 69 -17.740 8.972 -17.421 1.00 0.00 C ATOM 975 CE1 TYR A 69 -15.401 10.396 -17.759 1.00 0.00 C ATOM 976 CE2 TYR A 69 -16.524 8.368 -17.166 1.00 0.00 C ATOM 977 CZ TYR A 69 -15.358 9.083 -17.337 1.00 0.00 C ATOM 978 OH TYR A 69 -14.144 8.486 -17.085 1.00 0.00 O ATOM 0 H TYR A 69 -17.720 13.760 -17.900 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.298 12.683 -17.588 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -19.936 10.338 -17.696 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -19.308 10.978 -19.201 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -16.651 12.021 -18.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.651 8.408 -17.287 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -14.486 10.954 -17.892 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.487 7.341 -16.834 1.00 0.00 H new ATOM 0 HH TYR A 69 -14.288 7.561 -16.795 1.00 0.00 H new ATOM 988 N GLN A 70 -19.474 11.675 -15.254 1.00 0.00 N ATOM 989 CA GLN A 70 -19.118 11.617 -13.841 1.00 0.00 C ATOM 990 C GLN A 70 -18.721 10.201 -13.437 1.00 0.00 C ATOM 991 O GLN A 70 -19.462 9.240 -13.644 1.00 0.00 O ATOM 992 CB GLN A 70 -20.287 12.097 -12.979 1.00 0.00 C ATOM 993 CG GLN A 70 -20.429 13.610 -12.934 1.00 0.00 C ATOM 994 CD GLN A 70 -21.124 14.169 -14.160 1.00 0.00 C ATOM 995 OE1 GLN A 70 -20.516 14.310 -15.222 1.00 0.00 O ATOM 996 NE2 GLN A 70 -22.404 14.490 -14.020 1.00 0.00 N ATOM 0 H GLN A 70 -20.292 11.120 -15.506 1.00 0.00 H new ATOM 0 HA GLN A 70 -18.263 12.274 -13.680 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -21.211 11.665 -13.362 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.157 11.722 -11.964 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.990 13.892 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.441 14.061 -12.844 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -22.868 14.356 -13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.924 14.870 -14.811 1.00 0.00 H new ATOM 1005 N PRO A 71 -17.524 10.068 -12.847 1.00 0.00 N ATOM 1006 CA PRO A 71 -17.002 8.773 -12.401 1.00 0.00 C ATOM 1007 C PRO A 71 -17.764 8.222 -11.201 1.00 0.00 C ATOM 1008 O PRO A 71 -17.481 7.122 -10.726 1.00 0.00 O ATOM 1009 CB PRO A 71 -15.554 9.088 -12.015 1.00 0.00 C ATOM 1010 CG PRO A 71 -15.561 10.538 -11.672 1.00 0.00 C ATOM 1011 CD PRO A 71 -16.589 11.171 -12.568 1.00 0.00 C ATOM 0 HA PRO A 71 -17.096 8.009 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.229 8.482 -11.169 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.870 8.879 -12.838 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.812 10.689 -10.622 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.578 10.981 -11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.088 12.007 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.141 11.559 -13.483 1.00 0.00 H new ATOM 1019 N GLU A 72 -18.733 8.993 -10.716 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.535 8.581 -9.570 1.00 0.00 C ATOM 1021 C GLU A 72 -20.604 7.575 -9.989 1.00 0.00 C ATOM 1022 O GLU A 72 -21.013 6.724 -9.200 1.00 0.00 O ATOM 1023 CB GLU A 72 -20.193 9.797 -8.916 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.375 10.345 -9.698 1.00 0.00 C ATOM 1025 CD GLU A 72 -22.684 9.684 -9.315 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -22.643 8.619 -8.664 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -23.751 10.230 -9.667 1.00 0.00 O ATOM 0 H GLU A 72 -18.981 9.905 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.873 8.103 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -20.526 9.524 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.448 10.584 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.451 11.419 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.198 10.202 -10.764 1.00 0.00 H new ATOM 1034 N ASN A 73 -21.052 7.681 -11.236 1.00 0.00 N ATOM 1035 CA ASN A 73 -22.074 6.782 -11.760 1.00 0.00 C ATOM 1036 C ASN A 73 -21.497 5.875 -12.843 1.00 0.00 C ATOM 1037 O ASN A 73 -21.684 6.120 -14.035 1.00 0.00 O ATOM 1038 CB ASN A 73 -23.248 7.584 -12.322 1.00 0.00 C ATOM 1039 CG ASN A 73 -22.803 8.651 -13.304 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -21.743 8.539 -13.921 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.612 9.693 -13.452 1.00 0.00 N ATOM 0 H ASN A 73 -20.724 8.380 -11.902 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.429 6.158 -10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.944 6.906 -12.817 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.790 8.053 -11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.365 10.443 -14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.481 9.744 -12.920 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.797 4.828 -12.420 1.00 0.00 N ATOM 1049 CA ILE A 74 -20.195 3.885 -13.354 1.00 0.00 C ATOM 1050 C ILE A 74 -20.006 2.517 -12.707 1.00 0.00 C ATOM 1051 O ILE A 74 -19.625 2.417 -11.541 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.833 4.390 -13.865 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -18.985 5.770 -14.509 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -18.238 3.400 -14.856 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -17.679 6.357 -14.997 1.00 0.00 C ATOM 0 H ILE A 74 -20.633 4.611 -11.437 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.880 3.795 -14.197 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.154 4.478 -13.017 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -19.677 5.696 -15.348 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -19.433 6.452 -13.786 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -17.276 3.771 -15.208 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.098 2.436 -14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.914 3.283 -15.703 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.863 7.335 -15.441 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.992 6.464 -14.158 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.240 5.696 -15.744 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.274 1.464 -13.474 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.134 0.101 -12.977 1.00 0.00 C ATOM 1069 C ARG A 75 -19.925 -0.879 -14.128 1.00 0.00 C ATOM 1070 O ARG A 75 -20.452 -0.705 -15.227 1.00 0.00 O ATOM 1071 CB ARG A 75 -21.369 -0.300 -12.169 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.637 -0.394 -13.003 1.00 0.00 C ATOM 1073 CD ARG A 75 -23.882 -0.258 -12.140 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.221 -1.508 -11.467 1.00 0.00 N ATOM 1075 CZ ARG A 75 -25.324 -1.679 -10.746 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -26.190 -0.685 -10.607 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.563 -2.847 -10.164 1.00 0.00 N ATOM 0 H ARG A 75 -20.589 1.530 -14.442 1.00 0.00 H new ATOM 0 HA ARG A 75 -19.258 0.066 -12.329 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.185 -1.263 -11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.522 0.426 -11.370 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.633 0.387 -13.763 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.659 -1.349 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.724 0.523 -11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.720 0.058 -12.761 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.576 -2.293 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.011 0.214 -11.054 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.036 -0.819 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.900 -3.615 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.410 -2.977 -9.611 1.00 0.00 H new