USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 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 422 CYS SG : rot -148:sc= 0.0394 USER MOD Set 1.2: A 425 CYS SG : rot -119:sc= 0.362 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -2.08! X(o=-3!,f=-3.2) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.33 K(o=-3,f=-4) USER MOD Set 2.1: A 392 CYS SG : rot -155:sc= -0.457 USER MOD Set 2.2: A 395 CYS SG : rot 128:sc= 0.719 USER MOD Set 2.3: A 408 HIS : no HE2:sc= -0.279 K(o=-0.75,f=-3.4) USER MOD Set 2.4: A 412 HIS : no HE2:sc= -0.732 K(o=-0.75,f=-9.4!) USER MOD Set 3.1: A 364 CYS SG : rot 80:sc= -0.426 USER MOD Set 3.2: A 367 CYS SG : rot -41:sc= 0.234 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.326 K(o=0.13,f=-3.3) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc=-0.00851 X(o=-0.0085,f=-0.16) USER MOD Single : A 378 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.29) USER MOD Single : A 381 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00283) USER MOD Single : A 388 LYS NZ :NH3+ -153:sc= -0.0902 (180deg=-0.546) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -164:sc= -1.93 (180deg=-2.37!) USER MOD Single : A 406 SER OG : rot -33:sc= -0.309 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.4!) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS :FLIP no HD1:sc= -0.292 F(o=-0.95,f=-0.29) USER MOD Single : A 436 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 440 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0339) USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.456 -21.645 -19.138 1.00 0.00 N ATOM 67 CA VAL A 362 -11.268 -21.129 -18.470 1.00 0.00 C ATOM 68 C VAL A 362 -11.628 -20.022 -17.486 1.00 0.00 C ATOM 69 O VAL A 362 -12.285 -19.046 -17.847 1.00 0.00 O ATOM 70 CB VAL A 362 -10.245 -20.585 -19.485 1.00 0.00 C ATOM 71 CG1 VAL A 362 -9.708 -21.710 -20.357 1.00 0.00 C ATOM 72 CG2 VAL A 362 -10.870 -19.491 -20.338 1.00 0.00 C ATOM 0 HA VAL A 362 -10.823 -21.963 -17.928 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.409 -20.152 -18.935 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -8.987 -21.307 -21.068 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.221 -22.456 -19.729 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -10.531 -22.174 -20.900 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -10.133 -19.118 -21.049 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -11.725 -19.896 -20.880 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -11.201 -18.674 -19.697 1.00 0.00 H new ATOM 82 N ALA A 363 -11.192 -20.180 -16.240 1.00 0.00 N ATOM 83 CA ALA A 363 -11.467 -19.193 -15.204 1.00 0.00 C ATOM 84 C ALA A 363 -10.424 -18.081 -15.215 1.00 0.00 C ATOM 85 O ALA A 363 -9.225 -18.339 -15.106 1.00 0.00 O ATOM 86 CB ALA A 363 -11.514 -19.861 -13.838 1.00 0.00 C ATOM 0 H ALA A 363 -10.647 -20.982 -15.924 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.439 -18.746 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.720 -19.112 -13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.301 -20.615 -13.829 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.555 -20.335 -13.632 1.00 0.00 H new ATOM 92 N CYS A 364 -10.887 -16.842 -15.348 1.00 0.00 N ATOM 93 CA CYS A 364 -9.994 -15.690 -15.374 1.00 0.00 C ATOM 94 C CYS A 364 -9.145 -15.630 -14.108 1.00 0.00 C ATOM 95 O CYS A 364 -9.648 -15.829 -13.002 1.00 0.00 O ATOM 96 CB CYS A 364 -10.800 -14.398 -15.523 1.00 0.00 C ATOM 97 SG CYS A 364 -9.839 -12.993 -16.174 1.00 0.00 S ATOM 0 H CYS A 364 -11.876 -16.610 -15.439 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.329 -15.797 -16.231 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.645 -14.584 -16.185 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.211 -14.124 -14.551 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.735 -13.100 -17.465 1.00 0.00 H new ATOM 102 N GLU A 365 -7.856 -15.356 -14.279 1.00 0.00 N ATOM 103 CA GLU A 365 -6.937 -15.270 -13.149 1.00 0.00 C ATOM 104 C GLU A 365 -6.749 -13.821 -12.710 1.00 0.00 C ATOM 105 O GLU A 365 -5.686 -13.445 -12.214 1.00 0.00 O ATOM 106 CB GLU A 365 -5.585 -15.884 -13.516 1.00 0.00 C ATOM 107 CG GLU A 365 -4.858 -15.137 -14.622 1.00 0.00 C ATOM 108 CD GLU A 365 -3.630 -15.877 -15.116 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.040 -16.643 -14.325 1.00 0.00 O ATOM 110 OE2 GLU A 365 -3.259 -15.690 -16.294 1.00 0.00 O ATOM 0 H GLU A 365 -7.424 -15.190 -15.188 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.368 -15.829 -12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.953 -15.907 -12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.737 -16.918 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.541 -14.976 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.563 -14.153 -14.258 1.00 0.00 H new ATOM 117 N ILE A 366 -7.787 -13.013 -12.895 1.00 0.00 N ATOM 118 CA ILE A 366 -7.736 -11.606 -12.518 1.00 0.00 C ATOM 119 C ILE A 366 -8.993 -11.195 -11.759 1.00 0.00 C ATOM 120 O ILE A 366 -8.925 -10.457 -10.775 1.00 0.00 O ATOM 121 CB ILE A 366 -7.574 -10.698 -13.751 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.311 -11.077 -14.528 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.525 -9.237 -13.330 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.585 -11.507 -15.952 1.00 0.00 C ATOM 0 H ILE A 366 -8.674 -13.308 -13.304 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.867 -11.484 -11.871 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.436 -10.839 -14.404 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.631 -10.225 -14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.801 -11.886 -14.004 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.410 -8.608 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.450 -8.975 -12.816 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.680 -9.080 -12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.645 -11.761 -16.443 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.240 -12.378 -15.949 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.068 -10.692 -16.492 1.00 0.00 H new ATOM 136 N CYS A 367 -10.142 -11.677 -12.222 1.00 0.00 N ATOM 137 CA CYS A 367 -11.416 -11.362 -11.587 1.00 0.00 C ATOM 138 C CYS A 367 -12.117 -12.632 -11.114 1.00 0.00 C ATOM 139 O CYS A 367 -12.806 -12.630 -10.095 1.00 0.00 O ATOM 140 CB CYS A 367 -12.319 -10.600 -12.560 1.00 0.00 C ATOM 141 SG CYS A 367 -12.433 -11.354 -14.214 1.00 0.00 S ATOM 0 H CYS A 367 -10.217 -12.288 -13.036 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.216 -10.734 -10.719 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.320 -10.533 -12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.947 -9.581 -12.662 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.259 -11.774 -14.581 1.00 0.00 H new ATOM 146 N GLY A 368 -11.934 -13.716 -11.862 1.00 0.00 N ATOM 147 CA GLY A 368 -12.555 -14.977 -11.503 1.00 0.00 C ATOM 148 C GLY A 368 -13.744 -15.310 -12.383 1.00 0.00 C ATOM 149 O GLY A 368 -14.637 -16.054 -11.978 1.00 0.00 O ATOM 0 H GLY A 368 -11.367 -13.743 -12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.817 -15.776 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.877 -14.936 -10.463 1.00 0.00 H new ATOM 153 N LYS A 369 -13.757 -14.756 -13.590 1.00 0.00 N ATOM 154 CA LYS A 369 -14.845 -14.996 -14.531 1.00 0.00 C ATOM 155 C LYS A 369 -14.483 -16.110 -15.507 1.00 0.00 C ATOM 156 O LYS A 369 -13.416 -16.088 -16.121 1.00 0.00 O ATOM 157 CB LYS A 369 -15.173 -13.715 -15.301 1.00 0.00 C ATOM 158 CG LYS A 369 -16.261 -12.877 -14.652 1.00 0.00 C ATOM 159 CD LYS A 369 -15.787 -12.261 -13.347 1.00 0.00 C ATOM 160 CE LYS A 369 -16.645 -12.710 -12.174 1.00 0.00 C ATOM 161 NZ LYS A 369 -16.780 -11.642 -11.144 1.00 0.00 N ATOM 0 H LYS A 369 -13.026 -14.137 -13.940 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.722 -15.305 -13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.268 -13.114 -15.392 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.483 -13.978 -16.312 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.570 -12.087 -15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -17.137 -13.498 -14.465 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -14.749 -12.540 -13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.816 -11.174 -13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.634 -12.993 -12.535 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -16.204 -13.598 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -17.372 -11.987 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -15.839 -11.389 -10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -17.224 -10.803 -11.570 1.00 0.00 H new ATOM 175 N ILE A 370 -15.379 -17.082 -15.648 1.00 0.00 N ATOM 176 CA ILE A 370 -15.155 -18.202 -16.552 1.00 0.00 C ATOM 177 C ILE A 370 -15.641 -17.878 -17.961 1.00 0.00 C ATOM 178 O ILE A 370 -16.603 -17.131 -18.140 1.00 0.00 O ATOM 179 CB ILE A 370 -15.864 -19.477 -16.057 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.494 -19.758 -14.599 1.00 0.00 C ATOM 181 CG2 ILE A 370 -15.501 -20.662 -16.939 1.00 0.00 C ATOM 182 CD1 ILE A 370 -16.412 -19.086 -13.602 1.00 0.00 C ATOM 0 H ILE A 370 -16.267 -17.115 -15.147 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.080 -18.379 -16.573 1.00 0.00 H new ATOM 0 HB ILE A 370 -16.941 -19.322 -16.116 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -15.512 -20.835 -14.429 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -14.472 -19.424 -14.421 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.010 -21.555 -16.576 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -15.809 -20.460 -17.965 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -14.423 -20.821 -16.909 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -16.090 -19.329 -12.589 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -16.376 -18.006 -13.745 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -17.433 -19.438 -13.752 1.00 0.00 H new ATOM 194 N PHE A 371 -14.972 -18.448 -18.958 1.00 0.00 N ATOM 195 CA PHE A 371 -15.336 -18.220 -20.351 1.00 0.00 C ATOM 196 C PHE A 371 -15.497 -19.544 -21.094 1.00 0.00 C ATOM 197 O PHE A 371 -14.649 -20.430 -20.995 1.00 0.00 O ATOM 198 CB PHE A 371 -14.277 -17.359 -21.043 1.00 0.00 C ATOM 199 CG PHE A 371 -14.162 -15.976 -20.471 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.545 -15.767 -19.247 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.669 -14.883 -21.156 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.439 -14.495 -18.718 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.564 -13.609 -20.632 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.947 -13.414 -19.411 1.00 0.00 C ATOM 0 H PHE A 371 -14.175 -19.071 -18.827 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.290 -17.694 -20.370 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.310 -17.856 -20.968 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.516 -17.286 -22.104 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.143 -16.608 -18.701 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.152 -15.029 -22.111 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.959 -14.346 -17.762 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.964 -12.766 -21.176 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.862 -12.419 -19.000 1.00 0.00 H new ATOM 214 N ARG A 372 -16.592 -19.668 -21.837 1.00 0.00 N ATOM 215 CA ARG A 372 -16.866 -20.883 -22.595 1.00 0.00 C ATOM 216 C ARG A 372 -15.736 -21.177 -23.578 1.00 0.00 C ATOM 217 O ARG A 372 -15.500 -22.330 -23.941 1.00 0.00 O ATOM 218 CB ARG A 372 -18.190 -20.751 -23.350 1.00 0.00 C ATOM 219 CG ARG A 372 -18.297 -19.480 -24.175 1.00 0.00 C ATOM 220 CD ARG A 372 -19.567 -19.463 -25.011 1.00 0.00 C ATOM 221 NE ARG A 372 -20.658 -18.766 -24.335 1.00 0.00 N ATOM 222 CZ ARG A 372 -20.749 -17.443 -24.258 1.00 0.00 C ATOM 223 NH1 ARG A 372 -19.819 -16.678 -24.813 1.00 0.00 N ATOM 224 NH2 ARG A 372 -21.773 -16.883 -23.626 1.00 0.00 N ATOM 0 H ARG A 372 -17.303 -18.943 -21.930 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.938 -21.712 -21.891 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.311 -21.612 -24.008 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.011 -20.779 -22.634 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -18.284 -18.614 -23.514 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.429 -19.395 -24.829 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -19.365 -18.980 -25.967 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.871 -20.487 -25.229 1.00 0.00 H new ATOM 0 HE ARG A 372 -21.390 -19.326 -23.898 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -19.031 -17.105 -25.300 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -19.891 -15.662 -24.752 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -22.491 -17.469 -23.199 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -21.842 -15.867 -23.567 1.00 0.00 H new ATOM 238 N ASP A 373 -15.041 -20.128 -24.004 1.00 0.00 N ATOM 239 CA ASP A 373 -13.936 -20.274 -24.944 1.00 0.00 C ATOM 240 C ASP A 373 -12.754 -19.401 -24.532 1.00 0.00 C ATOM 241 O ASP A 373 -12.839 -18.635 -23.572 1.00 0.00 O ATOM 242 CB ASP A 373 -14.389 -19.907 -26.358 1.00 0.00 C ATOM 243 CG ASP A 373 -14.493 -21.117 -27.265 1.00 0.00 C ATOM 244 OD1 ASP A 373 -15.581 -21.729 -27.315 1.00 0.00 O ATOM 245 OD2 ASP A 373 -13.487 -21.452 -27.924 1.00 0.00 O ATOM 0 H ASP A 373 -15.223 -19.167 -23.713 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.617 -21.316 -24.933 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.358 -19.409 -26.308 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.686 -19.194 -26.788 1.00 0.00 H new ATOM 250 N VAL A 374 -11.651 -19.523 -25.264 1.00 0.00 N ATOM 251 CA VAL A 374 -10.452 -18.746 -24.975 1.00 0.00 C ATOM 252 C VAL A 374 -10.458 -17.424 -25.735 1.00 0.00 C ATOM 253 O VAL A 374 -9.858 -16.442 -25.297 1.00 0.00 O ATOM 254 CB VAL A 374 -9.176 -19.528 -25.338 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.939 -18.782 -24.861 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.224 -20.929 -24.747 1.00 0.00 C ATOM 0 H VAL A 374 -11.563 -20.153 -26.062 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.454 -18.546 -23.903 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.122 -19.617 -26.423 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.047 -19.350 -25.126 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -7.900 -17.802 -25.336 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.983 -18.660 -23.779 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.315 -21.468 -25.013 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.302 -20.864 -23.662 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.090 -21.461 -25.142 1.00 0.00 H new ATOM 266 N TYR A 375 -11.141 -17.406 -26.874 1.00 0.00 N ATOM 267 CA TYR A 375 -11.223 -16.204 -27.696 1.00 0.00 C ATOM 268 C TYR A 375 -11.922 -15.076 -26.944 1.00 0.00 C ATOM 269 O TYR A 375 -11.475 -13.929 -26.966 1.00 0.00 O ATOM 270 CB TYR A 375 -11.970 -16.503 -28.998 1.00 0.00 C ATOM 271 CG TYR A 375 -11.514 -17.773 -29.679 1.00 0.00 C ATOM 272 CD1 TYR A 375 -10.164 -18.085 -29.780 1.00 0.00 C ATOM 273 CD2 TYR A 375 -12.434 -18.661 -30.223 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.743 -19.245 -30.403 1.00 0.00 C ATOM 275 CE2 TYR A 375 -12.022 -19.824 -30.846 1.00 0.00 C ATOM 276 CZ TYR A 375 -10.676 -20.111 -30.933 1.00 0.00 C ATOM 277 OH TYR A 375 -10.262 -21.267 -31.554 1.00 0.00 O ATOM 0 H TYR A 375 -11.646 -18.209 -27.249 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.208 -15.885 -27.931 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -13.037 -16.577 -28.786 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -11.838 -15.666 -29.683 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.431 -17.410 -29.365 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -13.489 -18.439 -30.158 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.689 -19.472 -30.474 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -12.750 -20.504 -31.262 1.00 0.00 H new ATOM 0 HH TYR A 375 -11.044 -21.766 -31.871 1.00 0.00 H new ATOM 287 N HIS A 376 -13.022 -15.411 -26.277 1.00 0.00 N ATOM 288 CA HIS A 376 -13.784 -14.427 -25.516 1.00 0.00 C ATOM 289 C HIS A 376 -12.970 -13.906 -24.334 1.00 0.00 C ATOM 290 O HIS A 376 -13.189 -12.790 -23.860 1.00 0.00 O ATOM 291 CB HIS A 376 -15.093 -15.038 -25.018 1.00 0.00 C ATOM 292 CG HIS A 376 -16.206 -14.045 -24.885 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.644 -13.261 -25.931 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.973 -13.711 -23.821 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.630 -12.486 -25.516 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.850 -12.741 -24.239 1.00 0.00 N ATOM 0 H HIS A 376 -13.405 -16.356 -26.248 1.00 0.00 H new ATOM 0 HA HIS A 376 -14.011 -13.590 -26.176 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -15.401 -15.826 -25.705 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -14.920 -15.509 -24.050 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -16.907 -14.130 -22.828 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -18.165 -11.767 -26.118 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.557 -12.290 -23.658 1.00 0.00 H new ATOM 304 N LEU A 377 -12.032 -14.720 -23.864 1.00 0.00 N ATOM 305 CA LEU A 377 -11.186 -14.342 -22.737 1.00 0.00 C ATOM 306 C LEU A 377 -10.043 -13.441 -23.192 1.00 0.00 C ATOM 307 O LEU A 377 -9.517 -12.647 -22.413 1.00 0.00 O ATOM 308 CB LEU A 377 -10.625 -15.591 -22.054 1.00 0.00 C ATOM 309 CG LEU A 377 -9.610 -15.345 -20.936 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.316 -14.913 -19.660 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.776 -16.594 -20.690 1.00 0.00 C ATOM 0 H LEU A 377 -11.838 -15.646 -24.245 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.798 -13.789 -22.024 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.458 -16.161 -21.643 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.155 -16.216 -22.813 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.942 -14.542 -21.247 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.578 -14.743 -18.876 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.869 -13.992 -19.844 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.007 -15.694 -19.344 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.059 -16.401 -19.892 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.430 -17.417 -20.400 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.241 -16.860 -21.602 1.00 0.00 H new ATOM 323 N ASN A 378 -9.666 -13.568 -24.460 1.00 0.00 N ATOM 324 CA ASN A 378 -8.586 -12.763 -25.021 1.00 0.00 C ATOM 325 C ASN A 378 -8.962 -11.284 -25.037 1.00 0.00 C ATOM 326 O ASN A 378 -8.158 -10.425 -24.673 1.00 0.00 O ATOM 327 CB ASN A 378 -8.255 -13.232 -26.439 1.00 0.00 C ATOM 328 CG ASN A 378 -6.773 -13.142 -26.747 1.00 0.00 C ATOM 329 OD1 ASN A 378 -5.937 -13.597 -25.967 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.441 -12.552 -27.889 1.00 0.00 N ATOM 0 H ASN A 378 -10.092 -14.220 -25.119 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.707 -12.890 -24.390 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.587 -14.262 -26.565 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.810 -12.628 -27.157 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.459 -12.462 -28.150 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -7.168 -12.189 -28.506 1.00 0.00 H new ATOM 337 N ARG A 379 -10.187 -10.995 -25.461 1.00 0.00 N ATOM 338 CA ARG A 379 -10.670 -9.621 -25.525 1.00 0.00 C ATOM 339 C ARG A 379 -10.915 -9.065 -24.126 1.00 0.00 C ATOM 340 O ARG A 379 -10.860 -7.854 -23.909 1.00 0.00 O ATOM 341 CB ARG A 379 -11.957 -9.548 -26.348 1.00 0.00 C ATOM 342 CG ARG A 379 -13.176 -10.094 -25.622 1.00 0.00 C ATOM 343 CD ARG A 379 -14.038 -8.974 -25.060 1.00 0.00 C ATOM 344 NE ARG A 379 -14.662 -9.346 -23.793 1.00 0.00 N ATOM 345 CZ ARG A 379 -15.597 -8.619 -23.193 1.00 0.00 C ATOM 346 NH1 ARG A 379 -16.014 -7.486 -23.741 1.00 0.00 N ATOM 347 NH2 ARG A 379 -16.117 -9.024 -22.041 1.00 0.00 N ATOM 0 H ARG A 379 -10.864 -11.694 -25.766 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.904 -9.015 -26.008 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.144 -8.510 -26.624 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -11.817 -10.104 -27.275 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.768 -10.701 -26.308 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.855 -10.749 -24.812 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.426 -8.084 -24.915 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -14.812 -8.715 -25.783 1.00 0.00 H new ATOM 0 HE ARG A 379 -14.363 -10.212 -23.344 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -15.616 -7.171 -24.626 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -16.732 -6.930 -23.278 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -15.798 -9.895 -21.616 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -16.835 -8.465 -21.581 1.00 0.00 H new ATOM 361 N HIS A 380 -11.188 -9.958 -23.179 1.00 0.00 N ATOM 362 CA HIS A 380 -11.442 -9.557 -21.800 1.00 0.00 C ATOM 363 C HIS A 380 -10.138 -9.214 -21.085 1.00 0.00 C ATOM 364 O HIS A 380 -10.029 -8.175 -20.434 1.00 0.00 O ATOM 365 CB HIS A 380 -12.172 -10.670 -21.049 1.00 0.00 C ATOM 366 CG HIS A 380 -12.308 -10.413 -19.580 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.269 -9.580 -19.047 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.597 -10.885 -18.529 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.144 -9.550 -17.733 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.136 -10.334 -17.393 1.00 0.00 N ATOM 0 H HIS A 380 -11.239 -10.964 -23.342 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.072 -8.667 -21.816 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.165 -10.797 -21.480 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.637 -11.608 -21.197 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.761 -11.568 -18.576 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.760 -8.982 -17.052 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.811 -10.502 -16.441 1.00 0.00 H new ATOM 378 N LYS A 381 -9.152 -10.096 -21.209 1.00 0.00 N ATOM 379 CA LYS A 381 -7.855 -9.888 -20.576 1.00 0.00 C ATOM 380 C LYS A 381 -7.287 -8.519 -20.935 1.00 0.00 C ATOM 381 O LYS A 381 -6.633 -7.872 -20.116 1.00 0.00 O ATOM 382 CB LYS A 381 -6.876 -10.985 -20.999 1.00 0.00 C ATOM 383 CG LYS A 381 -7.171 -12.338 -20.375 1.00 0.00 C ATOM 384 CD LYS A 381 -6.378 -13.447 -21.046 1.00 0.00 C ATOM 385 CE LYS A 381 -6.083 -14.584 -20.080 1.00 0.00 C ATOM 386 NZ LYS A 381 -4.971 -14.247 -19.149 1.00 0.00 N ATOM 0 H LYS A 381 -9.226 -10.962 -21.742 1.00 0.00 H new ATOM 0 HA LYS A 381 -7.995 -9.931 -19.496 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.899 -11.082 -22.084 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.865 -10.682 -20.728 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.931 -12.310 -19.312 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.237 -12.552 -20.455 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.937 -13.830 -21.900 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.442 -13.044 -21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.980 -14.814 -19.506 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -5.826 -15.481 -20.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.778 -15.060 -18.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.117 -14.019 -19.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -5.240 -13.426 -18.569 1.00 0.00 H new ATOM 400 N LEU A 382 -7.542 -8.081 -22.164 1.00 0.00 N ATOM 401 CA LEU A 382 -7.057 -6.787 -22.631 1.00 0.00 C ATOM 402 C LEU A 382 -7.854 -5.648 -22.004 1.00 0.00 C ATOM 403 O LEU A 382 -7.328 -4.558 -21.780 1.00 0.00 O ATOM 404 CB LEU A 382 -7.146 -6.708 -24.156 1.00 0.00 C ATOM 405 CG LEU A 382 -6.318 -7.734 -24.931 1.00 0.00 C ATOM 406 CD1 LEU A 382 -6.982 -8.062 -26.260 1.00 0.00 C ATOM 407 CD2 LEU A 382 -4.903 -7.219 -25.153 1.00 0.00 C ATOM 0 H LEU A 382 -8.082 -8.603 -22.854 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.015 -6.686 -22.328 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.191 -6.821 -24.445 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -6.835 -5.711 -24.467 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.262 -8.648 -24.340 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.379 -8.794 -26.797 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.975 -8.473 -26.079 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.069 -7.154 -26.857 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.328 -7.962 -25.706 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -4.939 -6.290 -25.723 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.427 -7.035 -24.190 1.00 0.00 H new ATOM 480 N LYS A 388 -3.465 2.729 -9.931 1.00 0.00 N ATOM 481 CA LYS A 388 -2.421 3.733 -10.100 1.00 0.00 C ATOM 482 C LYS A 388 -3.024 5.126 -10.246 1.00 0.00 C ATOM 483 O LYS A 388 -4.173 5.291 -10.657 1.00 0.00 O ATOM 484 CB LYS A 388 -1.564 3.406 -11.325 1.00 0.00 C ATOM 485 CG LYS A 388 -1.382 1.916 -11.560 1.00 0.00 C ATOM 486 CD LYS A 388 0.011 1.599 -12.077 1.00 0.00 C ATOM 487 CE LYS A 388 0.043 1.547 -13.597 1.00 0.00 C ATOM 488 NZ LYS A 388 -0.776 0.424 -14.130 1.00 0.00 N ATOM 0 HA LYS A 388 -1.792 3.720 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -2.022 3.851 -12.208 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -0.584 3.869 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -1.557 1.376 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -2.125 1.566 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 388 0.712 2.355 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 388 0.342 0.643 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -0.327 2.490 -14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 388 1.073 1.438 -13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -0.399 0.127 -15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -0.740 -0.377 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -1.762 0.736 -14.243 1.00 0.00 H new ATOM 502 N PRO A 389 -2.233 6.153 -9.904 1.00 0.00 N ATOM 503 CA PRO A 389 -0.864 5.969 -9.413 1.00 0.00 C ATOM 504 C PRO A 389 -0.826 5.348 -8.021 1.00 0.00 C ATOM 505 O PRO A 389 -0.029 4.449 -7.753 1.00 0.00 O ATOM 506 CB PRO A 389 -0.304 7.393 -9.379 1.00 0.00 C ATOM 507 CG PRO A 389 -1.501 8.267 -9.231 1.00 0.00 C ATOM 508 CD PRO A 389 -2.614 7.574 -9.969 1.00 0.00 C ATOM 0 HA PRO A 389 -0.293 5.287 -10.044 1.00 0.00 H new ATOM 0 HB2 PRO A 389 0.389 7.526 -8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 389 0.245 7.625 -10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -1.756 8.405 -8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -1.315 9.257 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -3.581 7.753 -9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -2.692 7.923 -10.999 1.00 0.00 H new ATOM 516 N TYR A 390 -1.691 5.834 -7.138 1.00 0.00 N ATOM 517 CA TYR A 390 -1.755 5.328 -5.772 1.00 0.00 C ATOM 518 C TYR A 390 -3.143 4.776 -5.460 1.00 0.00 C ATOM 519 O TYR A 390 -4.081 5.532 -5.204 1.00 0.00 O ATOM 520 CB TYR A 390 -1.399 6.435 -4.778 1.00 0.00 C ATOM 521 CG TYR A 390 -0.172 7.228 -5.170 1.00 0.00 C ATOM 522 CD1 TYR A 390 1.101 6.785 -4.835 1.00 0.00 C ATOM 523 CD2 TYR A 390 -0.287 8.420 -5.875 1.00 0.00 C ATOM 524 CE1 TYR A 390 2.225 7.507 -5.190 1.00 0.00 C ATOM 525 CE2 TYR A 390 0.831 9.147 -6.235 1.00 0.00 C ATOM 526 CZ TYR A 390 2.084 8.687 -5.890 1.00 0.00 C ATOM 527 OH TYR A 390 3.201 9.408 -6.246 1.00 0.00 O ATOM 0 H TYR A 390 -2.358 6.578 -7.344 1.00 0.00 H new ATOM 0 HA TYR A 390 -1.032 4.518 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 390 -2.246 7.114 -4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 390 -1.236 5.991 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 390 1.215 5.861 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 390 -1.267 8.784 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 390 3.208 7.149 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 390 0.724 10.071 -6.784 1.00 0.00 H new ATOM 0 HH TYR A 390 2.929 10.212 -6.735 1.00 0.00 H new ATOM 537 N SER A 391 -3.265 3.453 -5.482 1.00 0.00 N ATOM 538 CA SER A 391 -4.538 2.798 -5.205 1.00 0.00 C ATOM 539 C SER A 391 -4.463 1.990 -3.913 1.00 0.00 C ATOM 540 O SER A 391 -3.390 1.539 -3.510 1.00 0.00 O ATOM 541 CB SER A 391 -4.931 1.886 -6.368 1.00 0.00 C ATOM 542 OG SER A 391 -3.822 1.126 -6.817 1.00 0.00 O ATOM 0 H SER A 391 -2.498 2.813 -5.689 1.00 0.00 H new ATOM 0 HA SER A 391 -5.298 3.571 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 391 -5.732 1.216 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 391 -5.321 2.487 -7.190 1.00 0.00 H new ATOM 0 HG SER A 391 -4.099 0.550 -7.560 1.00 0.00 H new ATOM 548 N CYS A 392 -5.610 1.810 -3.267 1.00 0.00 N ATOM 549 CA CYS A 392 -5.677 1.057 -2.021 1.00 0.00 C ATOM 550 C CYS A 392 -5.740 -0.443 -2.294 1.00 0.00 C ATOM 551 O CYS A 392 -6.553 -0.922 -3.086 1.00 0.00 O ATOM 552 CB CYS A 392 -6.896 1.489 -1.204 1.00 0.00 C ATOM 553 SG CYS A 392 -6.897 0.876 0.511 1.00 0.00 S ATOM 0 H CYS A 392 -6.507 2.176 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 392 -4.772 1.267 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 392 -6.943 2.578 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 392 -7.798 1.138 -1.705 1.00 0.00 H new ATOM 0 HG CYS A 392 -8.120 0.807 0.946 1.00 0.00 H new ATOM 558 N PRO A 393 -4.862 -1.204 -1.624 1.00 0.00 N ATOM 559 CA PRO A 393 -4.798 -2.661 -1.778 1.00 0.00 C ATOM 560 C PRO A 393 -6.012 -3.361 -1.177 1.00 0.00 C ATOM 561 O PRO A 393 -6.323 -4.498 -1.530 1.00 0.00 O ATOM 562 CB PRO A 393 -3.528 -3.042 -1.013 1.00 0.00 C ATOM 563 CG PRO A 393 -3.346 -1.953 -0.013 1.00 0.00 C ATOM 564 CD PRO A 393 -3.864 -0.701 -0.665 1.00 0.00 C ATOM 0 HA PRO A 393 -4.787 -2.961 -2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 393 -3.635 -4.012 -0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 393 -2.670 -3.113 -1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 393 -3.893 -2.170 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 393 -2.296 -1.845 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 393 -4.312 -0.024 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 393 -3.068 -0.150 -1.165 1.00 0.00 H new ATOM 572 N VAL A 394 -6.695 -2.674 -0.267 1.00 0.00 N ATOM 573 CA VAL A 394 -7.877 -3.229 0.382 1.00 0.00 C ATOM 574 C VAL A 394 -9.148 -2.837 -0.362 1.00 0.00 C ATOM 575 O VAL A 394 -9.799 -3.675 -0.988 1.00 0.00 O ATOM 576 CB VAL A 394 -7.986 -2.761 1.845 1.00 0.00 C ATOM 577 CG1 VAL A 394 -9.185 -3.404 2.524 1.00 0.00 C ATOM 578 CG2 VAL A 394 -6.704 -3.073 2.601 1.00 0.00 C ATOM 0 H VAL A 394 -6.450 -1.732 0.038 1.00 0.00 H new ATOM 0 HA VAL A 394 -7.769 -4.313 0.363 1.00 0.00 H new ATOM 0 HB VAL A 394 -8.131 -1.681 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 394 -9.245 -3.061 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 394 -10.096 -3.124 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 394 -9.074 -4.488 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 394 -6.799 -2.735 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 394 -6.525 -4.148 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 394 -5.868 -2.559 2.127 1.00 0.00 H new ATOM 588 N CYS A 395 -9.498 -1.557 -0.291 1.00 0.00 N ATOM 589 CA CYS A 395 -10.692 -1.052 -0.958 1.00 0.00 C ATOM 590 C CYS A 395 -10.611 -1.279 -2.465 1.00 0.00 C ATOM 591 O CYS A 395 -11.358 -2.080 -3.024 1.00 0.00 O ATOM 592 CB CYS A 395 -10.873 0.439 -0.665 1.00 0.00 C ATOM 593 SG CYS A 395 -10.815 0.861 1.107 1.00 0.00 S ATOM 0 H CYS A 395 -8.971 -0.850 0.222 1.00 0.00 H new ATOM 0 HA CYS A 395 -11.552 -1.599 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 395 -10.096 0.998 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 395 -11.829 0.765 -1.074 1.00 0.00 H new ATOM 0 HG CYS A 395 -9.947 1.810 1.299 1.00 0.00 H new ATOM 598 N GLY A 396 -9.697 -0.566 -3.117 1.00 0.00 N ATOM 599 CA GLY A 396 -9.534 -0.704 -4.552 1.00 0.00 C ATOM 600 C GLY A 396 -9.749 0.604 -5.288 1.00 0.00 C ATOM 601 O GLY A 396 -9.984 0.613 -6.498 1.00 0.00 O ATOM 0 H GLY A 396 -9.067 0.104 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 396 -8.533 -1.078 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 396 -10.239 -1.447 -4.925 1.00 0.00 H new ATOM 605 N LEU A 397 -9.672 1.711 -4.559 1.00 0.00 N ATOM 606 CA LEU A 397 -9.862 3.032 -5.149 1.00 0.00 C ATOM 607 C LEU A 397 -8.556 3.558 -5.736 1.00 0.00 C ATOM 608 O LEU A 397 -7.496 2.961 -5.552 1.00 0.00 O ATOM 609 CB LEU A 397 -10.394 4.010 -4.100 1.00 0.00 C ATOM 610 CG LEU A 397 -11.915 4.133 -4.008 1.00 0.00 C ATOM 611 CD1 LEU A 397 -12.372 4.041 -2.561 1.00 0.00 C ATOM 612 CD2 LEU A 397 -12.383 5.439 -4.635 1.00 0.00 C ATOM 0 H LEU A 397 -9.479 1.721 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 397 -10.591 2.942 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 397 -10.014 3.707 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 397 -9.982 4.997 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 397 -12.361 3.307 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 397 -13.457 4.131 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 397 -12.070 3.080 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 397 -11.917 4.846 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 397 -13.468 5.510 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 397 -11.928 6.279 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 397 -12.089 5.465 -5.684 1.00 0.00 H new ATOM 624 N ARG A 398 -8.641 4.681 -6.442 1.00 0.00 N ATOM 625 CA ARG A 398 -7.466 5.289 -7.055 1.00 0.00 C ATOM 626 C ARG A 398 -7.303 6.736 -6.600 1.00 0.00 C ATOM 627 O ARG A 398 -8.268 7.500 -6.568 1.00 0.00 O ATOM 628 CB ARG A 398 -7.573 5.231 -8.580 1.00 0.00 C ATOM 629 CG ARG A 398 -7.315 3.849 -9.156 1.00 0.00 C ATOM 630 CD ARG A 398 -8.400 3.444 -10.141 1.00 0.00 C ATOM 631 NE ARG A 398 -8.030 3.751 -11.520 1.00 0.00 N ATOM 632 CZ ARG A 398 -8.901 3.797 -12.522 1.00 0.00 C ATOM 633 NH1 ARG A 398 -10.186 3.559 -12.299 1.00 0.00 N ATOM 634 NH2 ARG A 398 -8.487 4.084 -13.750 1.00 0.00 N ATOM 0 H ARG A 398 -9.511 5.188 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 398 -6.588 4.726 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -8.568 5.560 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -6.862 5.934 -9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -6.346 3.837 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -7.266 3.120 -8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -8.594 2.376 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -9.327 3.960 -9.891 1.00 0.00 H new ATOM 0 HE ARG A 398 -7.049 3.941 -11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -10.508 3.340 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -10.853 3.595 -13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -7.499 4.269 -13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -9.156 4.119 -14.519 1.00 0.00 H new ATOM 648 N PHE A 399 -6.076 7.106 -6.249 1.00 0.00 N ATOM 649 CA PHE A 399 -5.787 8.462 -5.795 1.00 0.00 C ATOM 650 C PHE A 399 -4.635 9.068 -6.591 1.00 0.00 C ATOM 651 O PHE A 399 -3.642 8.397 -6.878 1.00 0.00 O ATOM 652 CB PHE A 399 -5.446 8.460 -4.303 1.00 0.00 C ATOM 653 CG PHE A 399 -6.539 7.899 -3.439 1.00 0.00 C ATOM 654 CD1 PHE A 399 -6.608 6.539 -3.182 1.00 0.00 C ATOM 655 CD2 PHE A 399 -7.497 8.731 -2.883 1.00 0.00 C ATOM 656 CE1 PHE A 399 -7.613 6.020 -2.388 1.00 0.00 C ATOM 657 CE2 PHE A 399 -8.504 8.218 -2.088 1.00 0.00 C ATOM 658 CZ PHE A 399 -8.562 6.861 -1.839 1.00 0.00 C ATOM 0 H PHE A 399 -5.266 6.487 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 399 -6.677 9.071 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 399 -4.537 7.880 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 399 -5.231 9.481 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 399 -5.868 5.877 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 399 -7.456 9.793 -3.073 1.00 0.00 H new ATOM 0 HE1 PHE A 399 -7.657 4.958 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 399 -9.245 8.878 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 399 -9.347 6.458 -1.217 1.00 0.00 H new ATOM 668 N LYS A 400 -4.774 10.340 -6.946 1.00 0.00 N ATOM 669 CA LYS A 400 -3.746 11.039 -7.708 1.00 0.00 C ATOM 670 C LYS A 400 -2.821 11.823 -6.783 1.00 0.00 C ATOM 671 O LYS A 400 -2.214 12.814 -7.190 1.00 0.00 O ATOM 672 CB LYS A 400 -4.390 11.986 -8.724 1.00 0.00 C ATOM 673 CG LYS A 400 -3.797 11.877 -10.118 1.00 0.00 C ATOM 674 CD LYS A 400 -3.117 13.170 -10.536 1.00 0.00 C ATOM 675 CE LYS A 400 -4.127 14.205 -11.006 1.00 0.00 C ATOM 676 NZ LYS A 400 -3.537 15.571 -11.062 1.00 0.00 N ATOM 0 H LYS A 400 -5.589 10.909 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 400 -3.154 10.294 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -5.459 11.778 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -4.282 13.012 -8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -3.076 11.060 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -4.584 11.631 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -2.548 13.571 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -2.405 12.966 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -4.497 13.929 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -4.984 14.207 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -4.257 16.247 -11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -3.206 15.845 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -2.735 15.576 -11.724 1.00 0.00 H new ATOM 690 N ARG A 401 -2.717 11.372 -5.537 1.00 0.00 N ATOM 691 CA ARG A 401 -1.865 12.031 -4.554 1.00 0.00 C ATOM 692 C ARG A 401 -1.380 11.039 -3.502 1.00 0.00 C ATOM 693 O ARG A 401 -2.044 10.041 -3.221 1.00 0.00 O ATOM 694 CB ARG A 401 -2.621 13.177 -3.880 1.00 0.00 C ATOM 695 CG ARG A 401 -4.048 12.822 -3.493 1.00 0.00 C ATOM 696 CD ARG A 401 -5.051 13.380 -4.491 1.00 0.00 C ATOM 697 NE ARG A 401 -5.072 14.840 -4.486 1.00 0.00 N ATOM 698 CZ ARG A 401 -5.580 15.571 -5.473 1.00 0.00 C ATOM 699 NH1 ARG A 401 -6.107 14.980 -6.536 1.00 0.00 N ATOM 700 NH2 ARG A 401 -5.562 16.896 -5.396 1.00 0.00 N ATOM 0 H ARG A 401 -3.212 10.553 -5.184 1.00 0.00 H new ATOM 0 HA ARG A 401 -0.997 12.434 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -2.077 13.484 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -2.639 14.034 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -4.152 11.738 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -4.265 13.214 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -4.804 13.024 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -6.046 13.002 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 401 -4.675 15.325 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -6.123 13.962 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -6.496 15.543 -7.292 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -5.158 17.354 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -5.952 17.456 -6.154 1.00 0.00 H new ATOM 714 N LYS A 402 -0.217 11.319 -2.923 1.00 0.00 N ATOM 715 CA LYS A 402 0.358 10.452 -1.902 1.00 0.00 C ATOM 716 C LYS A 402 -0.123 10.857 -0.512 1.00 0.00 C ATOM 717 O LYS A 402 0.032 10.106 0.452 1.00 0.00 O ATOM 718 CB LYS A 402 1.887 10.506 -1.960 1.00 0.00 C ATOM 719 CG LYS A 402 2.526 9.191 -2.369 1.00 0.00 C ATOM 720 CD LYS A 402 3.125 8.466 -1.176 1.00 0.00 C ATOM 721 CE LYS A 402 3.190 6.965 -1.410 1.00 0.00 C ATOM 722 NZ LYS A 402 4.595 6.476 -1.488 1.00 0.00 N ATOM 0 H LYS A 402 0.346 12.140 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 402 0.029 9.432 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 402 2.188 11.281 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 402 2.269 10.798 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 402 1.779 8.555 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 402 3.303 9.378 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 402 4.127 8.849 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 402 2.528 8.671 -0.287 1.00 0.00 H new ATOM 0 HE2 LYS A 402 2.670 6.449 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 402 2.668 6.719 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 4.597 5.448 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 5.084 6.950 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 5.086 6.688 -0.596 1.00 0.00 H new ATOM 736 N ASP A 403 -0.707 12.046 -0.416 1.00 0.00 N ATOM 737 CA ASP A 403 -1.214 12.548 0.856 1.00 0.00 C ATOM 738 C ASP A 403 -2.553 11.904 1.201 1.00 0.00 C ATOM 739 O ASP A 403 -2.865 11.686 2.371 1.00 0.00 O ATOM 740 CB ASP A 403 -1.363 14.069 0.805 1.00 0.00 C ATOM 741 CG ASP A 403 -0.348 14.781 1.678 1.00 0.00 C ATOM 742 OD1 ASP A 403 -0.476 14.706 2.918 1.00 0.00 O ATOM 743 OD2 ASP A 403 0.575 15.411 1.121 1.00 0.00 O ATOM 0 H ASP A 403 -0.841 12.680 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 403 -0.496 12.287 1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 403 -1.252 14.407 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 403 -2.368 14.343 1.124 1.00 0.00 H new ATOM 748 N ARG A 404 -3.341 11.604 0.174 1.00 0.00 N ATOM 749 CA ARG A 404 -4.648 10.988 0.368 1.00 0.00 C ATOM 750 C ARG A 404 -4.511 9.486 0.600 1.00 0.00 C ATOM 751 O ARG A 404 -4.951 8.964 1.623 1.00 0.00 O ATOM 752 CB ARG A 404 -5.543 11.248 -0.845 1.00 0.00 C ATOM 753 CG ARG A 404 -6.165 12.635 -0.856 1.00 0.00 C ATOM 754 CD ARG A 404 -7.387 12.706 0.046 1.00 0.00 C ATOM 755 NE ARG A 404 -8.578 12.162 -0.602 1.00 0.00 N ATOM 756 CZ ARG A 404 -9.239 12.787 -1.569 1.00 0.00 C ATOM 757 NH1 ARG A 404 -8.827 13.972 -1.999 1.00 0.00 N ATOM 758 NH2 ARG A 404 -10.314 12.228 -2.109 1.00 0.00 N ATOM 0 H ARG A 404 -3.097 11.778 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 404 -5.106 11.435 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -4.956 11.115 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -6.338 10.502 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -5.427 13.368 -0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -6.448 12.900 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -7.191 12.155 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -7.569 13.743 0.328 1.00 0.00 H new ATOM 0 HE ARG A 404 -8.921 11.252 -0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -8.001 14.405 -1.587 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -9.336 14.450 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -10.634 11.317 -1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -10.821 12.710 -2.852 1.00 0.00 H new ATOM 772 N MET A 405 -3.899 8.798 -0.359 1.00 0.00 N ATOM 773 CA MET A 405 -3.705 7.356 -0.258 1.00 0.00 C ATOM 774 C MET A 405 -3.051 6.987 1.070 1.00 0.00 C ATOM 775 O MET A 405 -3.316 5.923 1.628 1.00 0.00 O ATOM 776 CB MET A 405 -2.845 6.854 -1.420 1.00 0.00 C ATOM 777 CG MET A 405 -1.434 7.417 -1.419 1.00 0.00 C ATOM 778 SD MET A 405 -0.261 6.352 -0.559 1.00 0.00 S ATOM 779 CE MET A 405 -0.225 4.934 -1.653 1.00 0.00 C ATOM 0 H MET A 405 -3.530 9.215 -1.213 1.00 0.00 H new ATOM 0 HA MET A 405 -4.684 6.878 -0.306 1.00 0.00 H new ATOM 0 HB2 MET A 405 -2.793 5.766 -1.379 1.00 0.00 H new ATOM 0 HB3 MET A 405 -3.331 7.115 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 405 -1.103 7.559 -2.448 1.00 0.00 H new ATOM 0 HG3 MET A 405 -1.440 8.400 -0.948 1.00 0.00 H new ATOM 0 HE1 MET A 405 0.220 4.085 -1.134 1.00 0.00 H new ATOM 0 HE2 MET A 405 -1.241 4.682 -1.956 1.00 0.00 H new ATOM 0 HE3 MET A 405 0.368 5.171 -2.536 1.00 0.00 H new ATOM 789 N SER A 406 -2.195 7.873 1.570 1.00 0.00 N ATOM 790 CA SER A 406 -1.501 7.638 2.830 1.00 0.00 C ATOM 791 C SER A 406 -2.485 7.614 3.996 1.00 0.00 C ATOM 792 O SER A 406 -2.460 6.703 4.825 1.00 0.00 O ATOM 793 CB SER A 406 -0.443 8.718 3.063 1.00 0.00 C ATOM 794 OG SER A 406 -1.033 10.005 3.126 1.00 0.00 O ATOM 0 H SER A 406 -1.966 8.760 1.121 1.00 0.00 H new ATOM 0 HA SER A 406 -1.011 6.666 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.091 8.514 3.991 1.00 0.00 H new ATOM 0 HB3 SER A 406 0.292 8.691 2.259 1.00 0.00 H new ATOM 0 HG SER A 406 -1.808 10.039 2.527 1.00 0.00 H new ATOM 800 N TYR A 407 -3.349 8.621 4.053 1.00 0.00 N ATOM 801 CA TYR A 407 -4.340 8.718 5.118 1.00 0.00 C ATOM 802 C TYR A 407 -5.477 7.726 4.896 1.00 0.00 C ATOM 803 O TYR A 407 -6.225 7.404 5.820 1.00 0.00 O ATOM 804 CB TYR A 407 -4.897 10.140 5.197 1.00 0.00 C ATOM 805 CG TYR A 407 -4.008 11.098 5.958 1.00 0.00 C ATOM 806 CD1 TYR A 407 -3.649 10.845 7.276 1.00 0.00 C ATOM 807 CD2 TYR A 407 -3.527 12.255 5.359 1.00 0.00 C ATOM 808 CE1 TYR A 407 -2.838 11.717 7.976 1.00 0.00 C ATOM 809 CE2 TYR A 407 -2.713 13.132 6.050 1.00 0.00 C ATOM 810 CZ TYR A 407 -2.372 12.859 7.358 1.00 0.00 C ATOM 811 OH TYR A 407 -1.563 13.731 8.050 1.00 0.00 O ATOM 0 H TYR A 407 -3.383 9.382 3.374 1.00 0.00 H new ATOM 0 HA TYR A 407 -3.849 8.475 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 407 -5.045 10.520 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 407 -5.877 10.111 5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 407 -4.010 9.951 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 407 -3.794 12.473 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 407 -2.570 11.506 9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 407 -2.346 14.026 5.568 1.00 0.00 H new ATOM 0 HH TYR A 407 -1.322 14.483 7.470 1.00 0.00 H new ATOM 821 N HIS A 408 -5.601 7.243 3.664 1.00 0.00 N ATOM 822 CA HIS A 408 -6.646 6.286 3.319 1.00 0.00 C ATOM 823 C HIS A 408 -6.224 4.866 3.683 1.00 0.00 C ATOM 824 O HIS A 408 -6.958 4.142 4.356 1.00 0.00 O ATOM 825 CB HIS A 408 -6.969 6.368 1.827 1.00 0.00 C ATOM 826 CG HIS A 408 -7.959 5.340 1.371 1.00 0.00 C ATOM 827 ND1 HIS A 408 -9.321 5.484 1.533 1.00 0.00 N ATOM 828 CD2 HIS A 408 -7.778 4.149 0.754 1.00 0.00 C ATOM 829 CE1 HIS A 408 -9.935 4.424 1.036 1.00 0.00 C ATOM 830 NE2 HIS A 408 -9.021 3.599 0.558 1.00 0.00 N ATOM 0 H HIS A 408 -4.991 7.499 2.888 1.00 0.00 H new ATOM 0 HA HIS A 408 -7.539 6.538 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 408 -7.359 7.361 1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 408 -6.047 6.251 1.257 1.00 0.00 H new ATOM 0 HD1 HIS A 408 -9.782 6.283 1.968 1.00 0.00 H new ATOM 0 HD2 HIS A 408 -6.832 3.712 0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 408 -11.002 4.260 1.023 1.00 0.00 H new ATOM 838 N VAL A 409 -5.036 4.473 3.234 1.00 0.00 N ATOM 839 CA VAL A 409 -4.516 3.139 3.513 1.00 0.00 C ATOM 840 C VAL A 409 -4.303 2.934 5.008 1.00 0.00 C ATOM 841 O VAL A 409 -4.881 2.028 5.609 1.00 0.00 O ATOM 842 CB VAL A 409 -3.187 2.890 2.777 1.00 0.00 C ATOM 843 CG1 VAL A 409 -2.639 1.512 3.114 1.00 0.00 C ATOM 844 CG2 VAL A 409 -3.372 3.047 1.275 1.00 0.00 C ATOM 0 H VAL A 409 -4.416 5.059 2.676 1.00 0.00 H new ATOM 0 HA VAL A 409 -5.260 2.428 3.154 1.00 0.00 H new ATOM 0 HB VAL A 409 -2.463 3.633 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -1.699 1.355 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.466 1.442 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -3.358 0.751 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -2.422 2.867 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -4.112 2.328 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -3.715 4.058 1.054 1.00 0.00 H new ATOM 854 N ARG A 410 -3.471 3.782 5.603 1.00 0.00 N ATOM 855 CA ARG A 410 -3.181 3.694 7.030 1.00 0.00 C ATOM 856 C ARG A 410 -4.469 3.702 7.848 1.00 0.00 C ATOM 857 O ARG A 410 -4.542 3.092 8.915 1.00 0.00 O ATOM 858 CB ARG A 410 -2.283 4.854 7.462 1.00 0.00 C ATOM 859 CG ARG A 410 -1.008 4.975 6.643 1.00 0.00 C ATOM 860 CD ARG A 410 0.210 4.533 7.440 1.00 0.00 C ATOM 861 NE ARG A 410 1.425 5.218 7.008 1.00 0.00 N ATOM 862 CZ ARG A 410 1.733 6.462 7.360 1.00 0.00 C ATOM 863 NH1 ARG A 410 0.919 7.152 8.147 1.00 0.00 N ATOM 864 NH2 ARG A 410 2.857 7.017 6.926 1.00 0.00 N ATOM 0 H ARG A 410 -2.986 4.538 5.120 1.00 0.00 H new ATOM 0 HA ARG A 410 -2.661 2.754 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -2.844 5.785 7.385 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -2.020 4.727 8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -1.094 4.368 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -0.878 6.008 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 410 0.041 4.728 8.499 1.00 0.00 H new ATOM 0 HD3 ARG A 410 0.343 3.457 7.332 1.00 0.00 H new ATOM 0 HE ARG A 410 2.073 4.714 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 410 0.054 6.728 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 410 1.157 8.107 8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 410 3.486 6.489 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 410 3.092 7.972 7.197 1.00 0.00 H new ATOM 878 N SER A 411 -5.482 4.396 7.340 1.00 0.00 N ATOM 879 CA SER A 411 -6.766 4.487 8.026 1.00 0.00 C ATOM 880 C SER A 411 -7.373 3.102 8.227 1.00 0.00 C ATOM 881 O SER A 411 -8.172 2.889 9.140 1.00 0.00 O ATOM 882 CB SER A 411 -7.731 5.369 7.232 1.00 0.00 C ATOM 883 OG SER A 411 -9.043 4.834 7.250 1.00 0.00 O ATOM 0 H SER A 411 -5.439 4.903 6.456 1.00 0.00 H new ATOM 0 HA SER A 411 -6.597 4.936 9.005 1.00 0.00 H new ATOM 0 HB2 SER A 411 -7.739 6.375 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 411 -7.385 5.457 6.202 1.00 0.00 H new ATOM 0 HG SER A 411 -9.641 5.417 6.737 1.00 0.00 H new ATOM 889 N HIS A 412 -6.989 2.164 7.368 1.00 0.00 N ATOM 890 CA HIS A 412 -7.495 0.798 7.450 1.00 0.00 C ATOM 891 C HIS A 412 -6.612 -0.054 8.357 1.00 0.00 C ATOM 892 O HIS A 412 -6.769 -1.274 8.424 1.00 0.00 O ATOM 893 CB HIS A 412 -7.568 0.174 6.057 1.00 0.00 C ATOM 894 CG HIS A 412 -8.197 1.068 5.032 1.00 0.00 C ATOM 895 ND1 HIS A 412 -9.396 1.717 5.234 1.00 0.00 N ATOM 896 CD2 HIS A 412 -7.783 1.420 3.792 1.00 0.00 C ATOM 897 CE1 HIS A 412 -9.695 2.429 4.162 1.00 0.00 C ATOM 898 NE2 HIS A 412 -8.732 2.266 3.273 1.00 0.00 N ATOM 0 H HIS A 412 -6.329 2.324 6.607 1.00 0.00 H new ATOM 0 HA HIS A 412 -8.498 0.833 7.876 1.00 0.00 H new ATOM 0 HB2 HIS A 412 -6.561 -0.086 5.731 1.00 0.00 H new ATOM 0 HB3 HIS A 412 -8.135 -0.755 6.113 1.00 0.00 H new ATOM 0 HD1 HIS A 412 -9.964 1.657 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 412 -6.876 1.096 3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 412 -10.576 3.040 4.034 1.00 0.00 H new ATOM 959 N LYS A 418 -4.711 -11.831 16.610 1.00 0.00 N ATOM 960 CA LYS A 418 -4.400 -13.204 16.229 1.00 0.00 C ATOM 961 C LYS A 418 -5.266 -13.652 15.056 1.00 0.00 C ATOM 962 O LYS A 418 -6.342 -13.110 14.805 1.00 0.00 O ATOM 963 CB LYS A 418 -4.607 -14.144 17.419 1.00 0.00 C ATOM 964 CG LYS A 418 -3.497 -14.072 18.452 1.00 0.00 C ATOM 965 CD LYS A 418 -2.157 -14.476 17.860 1.00 0.00 C ATOM 966 CE LYS A 418 -1.137 -14.783 18.947 1.00 0.00 C ATOM 967 NZ LYS A 418 -0.099 -13.720 19.049 1.00 0.00 N ATOM 0 HA LYS A 418 -3.355 -13.242 15.921 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.555 -13.904 17.900 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -4.685 -15.168 17.053 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -3.431 -13.058 18.846 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -3.737 -14.725 19.291 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -2.288 -15.352 17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -1.782 -13.674 17.224 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -1.647 -14.886 19.905 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -0.658 -15.739 18.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 0.577 -13.966 19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 0.405 -13.639 18.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -0.553 -12.812 19.275 1.00 0.00 H new ATOM 981 N PRO A 419 -4.788 -14.666 14.321 1.00 0.00 N ATOM 982 CA PRO A 419 -5.504 -15.211 13.163 1.00 0.00 C ATOM 983 C PRO A 419 -6.765 -15.968 13.566 1.00 0.00 C ATOM 984 O PRO A 419 -7.837 -15.752 13.000 1.00 0.00 O ATOM 985 CB PRO A 419 -4.486 -16.165 12.533 1.00 0.00 C ATOM 986 CG PRO A 419 -3.589 -16.558 13.656 1.00 0.00 C ATOM 987 CD PRO A 419 -3.511 -15.360 14.562 1.00 0.00 C ATOM 0 HA PRO A 419 -5.847 -14.426 12.489 1.00 0.00 H new ATOM 0 HB2 PRO A 419 -4.976 -17.034 12.095 1.00 0.00 H new ATOM 0 HB3 PRO A 419 -3.929 -15.677 11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 419 -3.985 -17.424 14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 419 -2.601 -16.834 13.288 1.00 0.00 H new ATOM 0 HD2 PRO A 419 -3.404 -15.652 15.607 1.00 0.00 H new ATOM 0 HD3 PRO A 419 -2.658 -14.727 14.319 1.00 0.00 H new ATOM 995 N TYR A 420 -6.629 -16.855 14.545 1.00 0.00 N ATOM 996 CA TYR A 420 -7.758 -17.646 15.021 1.00 0.00 C ATOM 997 C TYR A 420 -8.061 -17.337 16.484 1.00 0.00 C ATOM 998 O TYR A 420 -7.153 -17.242 17.311 1.00 0.00 O ATOM 999 CB TYR A 420 -7.469 -19.139 14.854 1.00 0.00 C ATOM 1000 CG TYR A 420 -7.108 -19.531 13.439 1.00 0.00 C ATOM 1001 CD1 TYR A 420 -8.069 -19.542 12.434 1.00 0.00 C ATOM 1002 CD2 TYR A 420 -5.809 -19.891 13.106 1.00 0.00 C ATOM 1003 CE1 TYR A 420 -7.745 -19.900 11.140 1.00 0.00 C ATOM 1004 CE2 TYR A 420 -5.475 -20.249 11.814 1.00 0.00 C ATOM 1005 CZ TYR A 420 -6.446 -20.252 10.834 1.00 0.00 C ATOM 1006 OH TYR A 420 -6.119 -20.609 9.547 1.00 0.00 O ATOM 0 H TYR A 420 -5.749 -17.045 15.024 1.00 0.00 H new ATOM 0 HA TYR A 420 -8.631 -17.382 14.424 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -6.652 -19.419 15.519 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -8.345 -19.707 15.167 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -9.086 -19.266 12.669 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -5.046 -19.891 13.870 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -8.504 -19.904 10.372 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -4.459 -20.525 11.573 1.00 0.00 H new ATOM 0 HH TYR A 420 -5.165 -20.827 9.500 1.00 0.00 H new ATOM 1016 N ILE A 421 -9.343 -17.181 16.796 1.00 0.00 N ATOM 1017 CA ILE A 421 -9.767 -16.884 18.158 1.00 0.00 C ATOM 1018 C ILE A 421 -10.807 -17.889 18.642 1.00 0.00 C ATOM 1019 O ILE A 421 -11.624 -18.378 17.861 1.00 0.00 O ATOM 1020 CB ILE A 421 -10.352 -15.463 18.269 1.00 0.00 C ATOM 1021 CG1 ILE A 421 -11.459 -15.262 17.232 1.00 0.00 C ATOM 1022 CG2 ILE A 421 -9.256 -14.424 18.090 1.00 0.00 C ATOM 1023 CD1 ILE A 421 -10.952 -14.770 15.894 1.00 0.00 C ATOM 0 H ILE A 421 -10.106 -17.255 16.123 1.00 0.00 H new ATOM 0 HA ILE A 421 -8.879 -16.953 18.786 1.00 0.00 H new ATOM 0 HB ILE A 421 -10.784 -15.340 19.262 1.00 0.00 H new ATOM 0 HG12 ILE A 421 -11.986 -16.205 17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 421 -12.185 -14.548 17.621 1.00 0.00 H new ATOM 0 HG21 ILE A 421 -9.685 -13.425 18.171 1.00 0.00 H new ATOM 0 HG22 ILE A 421 -8.499 -14.557 18.862 1.00 0.00 H new ATOM 0 HG23 ILE A 421 -8.798 -14.544 17.108 1.00 0.00 H new ATOM 0 HD11 ILE A 421 -11.791 -14.650 15.209 1.00 0.00 H new ATOM 0 HD12 ILE A 421 -10.451 -13.811 16.025 1.00 0.00 H new ATOM 0 HD13 ILE A 421 -10.248 -15.494 15.483 1.00 0.00 H new ATOM 1035 N CYS A 422 -10.773 -18.191 19.935 1.00 0.00 N ATOM 1036 CA CYS A 422 -11.713 -19.136 20.525 1.00 0.00 C ATOM 1037 C CYS A 422 -13.151 -18.762 20.178 1.00 0.00 C ATOM 1038 O CYS A 422 -13.438 -17.616 19.833 1.00 0.00 O ATOM 1039 CB CYS A 422 -11.539 -19.181 22.044 1.00 0.00 C ATOM 1040 SG CYS A 422 -12.230 -20.672 22.829 1.00 0.00 S ATOM 0 H CYS A 422 -10.104 -17.795 20.595 1.00 0.00 H new ATOM 0 HA CYS A 422 -11.503 -20.123 20.113 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -10.476 -19.119 22.279 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -12.013 -18.301 22.479 1.00 0.00 H new ATOM 0 HG CYS A 422 -12.657 -20.377 24.021 1.00 0.00 H new ATOM 1045 N GLN A 423 -14.050 -19.736 20.272 1.00 0.00 N ATOM 1046 CA GLN A 423 -15.458 -19.509 19.968 1.00 0.00 C ATOM 1047 C GLN A 423 -16.234 -19.138 21.228 1.00 0.00 C ATOM 1048 O GLN A 423 -17.414 -18.793 21.162 1.00 0.00 O ATOM 1049 CB GLN A 423 -16.070 -20.754 19.325 1.00 0.00 C ATOM 1050 CG GLN A 423 -16.507 -20.543 17.885 1.00 0.00 C ATOM 1051 CD GLN A 423 -16.807 -21.845 17.169 1.00 0.00 C ATOM 1052 OE1 GLN A 423 -16.283 -22.900 17.529 1.00 0.00 O ATOM 1053 NE2 GLN A 423 -17.655 -21.779 16.149 1.00 0.00 N ATOM 0 H GLN A 423 -13.829 -20.690 20.556 1.00 0.00 H new ATOM 0 HA GLN A 423 -15.523 -18.678 19.266 1.00 0.00 H new ATOM 0 HB2 GLN A 423 -15.343 -21.565 19.360 1.00 0.00 H new ATOM 0 HB3 GLN A 423 -16.930 -21.071 19.914 1.00 0.00 H new ATOM 0 HG2 GLN A 423 -17.395 -19.911 17.868 1.00 0.00 H new ATOM 0 HG3 GLN A 423 -15.724 -20.009 17.346 1.00 0.00 H new ATOM 0 HE21 GLN A 423 -18.066 -20.884 15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 423 -17.895 -22.624 15.630 1.00 0.00 H new ATOM 1062 N SER A 424 -15.564 -19.212 22.373 1.00 0.00 N ATOM 1063 CA SER A 424 -16.192 -18.888 23.649 1.00 0.00 C ATOM 1064 C SER A 424 -15.644 -17.578 24.207 1.00 0.00 C ATOM 1065 O SER A 424 -16.306 -16.542 24.154 1.00 0.00 O ATOM 1066 CB SER A 424 -15.966 -20.019 24.654 1.00 0.00 C ATOM 1067 OG SER A 424 -17.098 -20.868 24.729 1.00 0.00 O ATOM 0 H SER A 424 -14.586 -19.493 22.444 1.00 0.00 H new ATOM 0 HA SER A 424 -17.262 -18.771 23.480 1.00 0.00 H new ATOM 0 HB2 SER A 424 -15.091 -20.600 24.362 1.00 0.00 H new ATOM 0 HB3 SER A 424 -15.757 -19.599 25.638 1.00 0.00 H new ATOM 0 HG SER A 424 -16.928 -21.584 25.377 1.00 0.00 H new ATOM 1073 N CYS A 425 -14.429 -17.634 24.743 1.00 0.00 N ATOM 1074 CA CYS A 425 -13.790 -16.454 25.312 1.00 0.00 C ATOM 1075 C CYS A 425 -13.252 -15.542 24.213 1.00 0.00 C ATOM 1076 O CYS A 425 -12.967 -14.369 24.449 1.00 0.00 O ATOM 1077 CB CYS A 425 -12.653 -16.866 26.249 1.00 0.00 C ATOM 1078 SG CYS A 425 -11.336 -17.832 25.441 1.00 0.00 S ATOM 0 H CYS A 425 -13.868 -18.484 24.795 1.00 0.00 H new ATOM 0 HA CYS A 425 -14.540 -15.905 25.881 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -12.215 -15.969 26.687 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -13.067 -17.452 27.070 1.00 0.00 H new ATOM 0 HG CYS A 425 -11.254 -19.004 25.997 1.00 0.00 H new ATOM 1083 N GLY A 426 -13.117 -16.091 23.010 1.00 0.00 N ATOM 1084 CA GLY A 426 -12.614 -15.314 21.892 1.00 0.00 C ATOM 1085 C GLY A 426 -11.345 -14.560 22.234 1.00 0.00 C ATOM 1086 O GLY A 426 -11.315 -13.330 22.198 1.00 0.00 O ATOM 0 H GLY A 426 -13.347 -17.060 22.789 1.00 0.00 H new ATOM 0 HA2 GLY A 426 -12.422 -15.978 21.049 1.00 0.00 H new ATOM 0 HA3 GLY A 426 -13.379 -14.606 21.572 1.00 0.00 H new ATOM 1090 N LYS A 427 -10.292 -15.299 22.569 1.00 0.00 N ATOM 1091 CA LYS A 427 -9.013 -14.694 22.920 1.00 0.00 C ATOM 1092 C LYS A 427 -8.145 -14.499 21.680 1.00 0.00 C ATOM 1093 O LYS A 427 -8.007 -13.385 21.176 1.00 0.00 O ATOM 1094 CB LYS A 427 -8.276 -15.565 23.939 1.00 0.00 C ATOM 1095 CG LYS A 427 -6.908 -15.027 24.323 1.00 0.00 C ATOM 1096 CD LYS A 427 -6.301 -15.816 25.471 1.00 0.00 C ATOM 1097 CE LYS A 427 -6.327 -15.022 26.768 1.00 0.00 C ATOM 1098 NZ LYS A 427 -5.814 -15.819 27.917 1.00 0.00 N ATOM 0 H LYS A 427 -10.300 -16.318 22.605 1.00 0.00 H new ATOM 0 HA LYS A 427 -9.210 -13.717 23.362 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -8.887 -15.655 24.837 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -8.161 -16.569 23.530 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -6.244 -15.070 23.460 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -6.995 -13.978 24.607 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -6.850 -16.749 25.603 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -5.273 -16.083 25.227 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -5.725 -14.120 26.654 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -7.347 -14.700 26.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -5.848 -15.243 28.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -6.403 -16.667 28.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -4.832 -16.105 27.730 1.00 0.00 H new ATOM 1112 N GLY A 428 -7.562 -15.590 21.193 1.00 0.00 N ATOM 1113 CA GLY A 428 -6.717 -15.517 20.016 1.00 0.00 C ATOM 1114 C GLY A 428 -5.445 -16.328 20.165 1.00 0.00 C ATOM 1115 O GLY A 428 -4.789 -16.282 21.206 1.00 0.00 O ATOM 0 H GLY A 428 -7.660 -16.523 21.593 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -7.274 -15.875 19.150 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -6.460 -14.476 19.821 1.00 0.00 H new ATOM 1119 N PHE A 429 -5.096 -17.075 19.123 1.00 0.00 N ATOM 1120 CA PHE A 429 -3.895 -17.902 19.143 1.00 0.00 C ATOM 1121 C PHE A 429 -3.165 -17.835 17.804 1.00 0.00 C ATOM 1122 O PHE A 429 -3.785 -17.910 16.743 1.00 0.00 O ATOM 1123 CB PHE A 429 -4.255 -19.353 19.468 1.00 0.00 C ATOM 1124 CG PHE A 429 -4.805 -19.538 20.853 1.00 0.00 C ATOM 1125 CD1 PHE A 429 -6.143 -19.296 21.119 1.00 0.00 C ATOM 1126 CD2 PHE A 429 -3.985 -19.954 21.890 1.00 0.00 C ATOM 1127 CE1 PHE A 429 -6.653 -19.466 22.393 1.00 0.00 C ATOM 1128 CE2 PHE A 429 -4.489 -20.126 23.165 1.00 0.00 C ATOM 1129 CZ PHE A 429 -5.825 -19.880 23.417 1.00 0.00 C ATOM 0 H PHE A 429 -5.628 -17.125 18.254 1.00 0.00 H new ATOM 0 HA PHE A 429 -3.232 -17.517 19.918 1.00 0.00 H new ATOM 0 HB2 PHE A 429 -4.988 -19.708 18.744 1.00 0.00 H new ATOM 0 HB3 PHE A 429 -3.367 -19.974 19.352 1.00 0.00 H new ATOM 0 HD1 PHE A 429 -6.795 -18.971 20.322 1.00 0.00 H new ATOM 0 HD2 PHE A 429 -2.939 -20.146 21.699 1.00 0.00 H new ATOM 0 HE1 PHE A 429 -7.698 -19.275 22.587 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -3.839 -20.452 23.964 1.00 0.00 H new ATOM 0 HZ PHE A 429 -6.221 -20.011 24.413 1.00 0.00 H new ATOM 1139 N SER A 430 -1.845 -17.692 17.863 1.00 0.00 N ATOM 1140 CA SER A 430 -1.031 -17.610 16.656 1.00 0.00 C ATOM 1141 C SER A 430 -1.331 -18.775 15.718 1.00 0.00 C ATOM 1142 O SER A 430 -1.705 -18.574 14.562 1.00 0.00 O ATOM 1143 CB SER A 430 0.456 -17.602 17.018 1.00 0.00 C ATOM 1144 OG SER A 430 1.186 -16.746 16.157 1.00 0.00 O ATOM 0 H SER A 430 -1.317 -17.631 18.733 1.00 0.00 H new ATOM 0 HA SER A 430 -1.278 -16.680 16.143 1.00 0.00 H new ATOM 0 HB2 SER A 430 0.580 -17.276 18.051 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.855 -18.614 16.953 1.00 0.00 H new ATOM 0 HG SER A 430 2.133 -16.757 16.410 1.00 0.00 H new ATOM 1150 N ARG A 431 -1.166 -19.992 16.224 1.00 0.00 N ATOM 1151 CA ARG A 431 -1.418 -21.190 15.432 1.00 0.00 C ATOM 1152 C ARG A 431 -2.793 -21.771 15.747 1.00 0.00 C ATOM 1153 O ARG A 431 -3.392 -21.486 16.785 1.00 0.00 O ATOM 1154 CB ARG A 431 -0.336 -22.239 15.696 1.00 0.00 C ATOM 1155 CG ARG A 431 0.821 -22.182 14.713 1.00 0.00 C ATOM 1156 CD ARG A 431 1.979 -21.363 15.262 1.00 0.00 C ATOM 1157 NE ARG A 431 2.585 -20.517 14.238 1.00 0.00 N ATOM 1158 CZ ARG A 431 3.363 -20.982 13.267 1.00 0.00 C ATOM 1159 NH1 ARG A 431 3.626 -22.279 13.188 1.00 0.00 N ATOM 1160 NH2 ARG A 431 3.878 -20.149 12.371 1.00 0.00 N ATOM 0 H ARG A 431 -0.859 -20.175 17.179 1.00 0.00 H new ATOM 0 HA ARG A 431 -1.394 -20.910 14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 431 0.050 -22.104 16.706 1.00 0.00 H new ATOM 0 HB3 ARG A 431 -0.786 -23.231 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 431 1.162 -23.193 14.492 1.00 0.00 H new ATOM 0 HG3 ARG A 431 0.480 -21.748 13.773 1.00 0.00 H new ATOM 0 HD2 ARG A 431 1.625 -20.740 16.084 1.00 0.00 H new ATOM 0 HD3 ARG A 431 2.734 -22.033 15.672 1.00 0.00 H new ATOM 0 HE ARG A 431 2.401 -19.514 14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 431 3.231 -22.922 13.874 1.00 0.00 H new ATOM 0 HH12 ARG A 431 4.224 -22.634 12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 431 3.676 -19.151 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 431 4.475 -20.507 11.626 1.00 0.00 H new ATOM 1174 N PRO A 432 -3.308 -22.605 14.831 1.00 0.00 N ATOM 1175 CA PRO A 432 -4.618 -23.243 14.989 1.00 0.00 C ATOM 1176 C PRO A 432 -4.620 -24.296 16.092 1.00 0.00 C ATOM 1177 O PRO A 432 -5.510 -24.315 16.943 1.00 0.00 O ATOM 1178 CB PRO A 432 -4.860 -23.897 13.626 1.00 0.00 C ATOM 1179 CG PRO A 432 -3.498 -24.124 13.067 1.00 0.00 C ATOM 1180 CD PRO A 432 -2.649 -22.990 13.571 1.00 0.00 C ATOM 0 HA PRO A 432 -5.388 -22.527 15.277 1.00 0.00 H new ATOM 0 HB2 PRO A 432 -5.407 -24.834 13.728 1.00 0.00 H new ATOM 0 HB3 PRO A 432 -5.452 -23.252 12.977 1.00 0.00 H new ATOM 0 HG2 PRO A 432 -3.098 -25.085 13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 432 -3.521 -24.140 11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 432 -1.618 -23.302 13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 432 -2.622 -22.162 12.862 1.00 0.00 H new ATOM 1188 N ASP A 433 -3.620 -25.170 16.073 1.00 0.00 N ATOM 1189 CA ASP A 433 -3.506 -26.225 17.073 1.00 0.00 C ATOM 1190 C ASP A 433 -3.542 -25.643 18.483 1.00 0.00 C ATOM 1191 O ASP A 433 -4.043 -26.276 19.414 1.00 0.00 O ATOM 1192 CB ASP A 433 -2.213 -27.015 16.867 1.00 0.00 C ATOM 1193 CG ASP A 433 -2.422 -28.257 16.023 1.00 0.00 C ATOM 1194 OD1 ASP A 433 -3.353 -28.260 15.192 1.00 0.00 O ATOM 1195 OD2 ASP A 433 -1.654 -29.228 16.196 1.00 0.00 O ATOM 0 H ASP A 433 -2.876 -25.169 15.375 1.00 0.00 H new ATOM 0 HA ASP A 433 -4.356 -26.897 16.955 1.00 0.00 H new ATOM 0 HB2 ASP A 433 -1.472 -26.375 16.389 1.00 0.00 H new ATOM 0 HB3 ASP A 433 -1.808 -27.302 17.837 1.00 0.00 H new ATOM 1200 N HIS A 434 -3.007 -24.436 18.633 1.00 0.00 N ATOM 1201 CA HIS A 434 -2.978 -23.769 19.930 1.00 0.00 C ATOM 1202 C HIS A 434 -4.392 -23.531 20.451 1.00 0.00 C ATOM 1203 O HIS A 434 -4.625 -23.513 21.660 1.00 0.00 O ATOM 1204 CB HIS A 434 -2.229 -22.440 19.827 1.00 0.00 C ATOM 1205 CG HIS A 434 -0.766 -22.597 19.551 1.00 0.00 C ATOM 1206 ND1 HIS A 434 -0.091 -23.550 18.868 1.00 0.00 N flip ATOM 1207 CD2 HIS A 434 0.185 -21.705 20.002 1.00 0.00 C flip ATOM 1208 CE1 HIS A 434 1.241 -23.220 18.916 1.00 0.00 C flip ATOM 1209 NE2 HIS A 434 1.381 -22.103 19.605 1.00 0.00 N flip ATOM 0 H HIS A 434 -2.588 -23.900 17.873 1.00 0.00 H new ATOM 0 HA HIS A 434 -2.456 -24.418 20.633 1.00 0.00 H new ATOM 0 HB2 HIS A 434 -2.677 -21.840 19.035 1.00 0.00 H new ATOM 0 HB3 HIS A 434 -2.358 -21.887 20.757 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -0.016 -20.820 20.588 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.044 -23.783 18.463 1.00 0.00 H new ATOM 0 HE2 HIS A 434 2.263 -21.628 19.798 1.00 0.00 H new ATOM 1217 N LEU A 435 -5.333 -23.347 19.531 1.00 0.00 N ATOM 1218 CA LEU A 435 -6.725 -23.110 19.897 1.00 0.00 C ATOM 1219 C LEU A 435 -7.430 -24.419 20.237 1.00 0.00 C ATOM 1220 O LEU A 435 -8.272 -24.467 21.132 1.00 0.00 O ATOM 1221 CB LEU A 435 -7.459 -22.403 18.756 1.00 0.00 C ATOM 1222 CG LEU A 435 -8.920 -22.039 19.021 1.00 0.00 C ATOM 1223 CD1 LEU A 435 -9.019 -21.007 20.134 1.00 0.00 C ATOM 1224 CD2 LEU A 435 -9.581 -21.522 17.751 1.00 0.00 C ATOM 0 H LEU A 435 -5.157 -23.357 18.526 1.00 0.00 H new ATOM 0 HA LEU A 435 -6.739 -22.472 20.781 1.00 0.00 H new ATOM 0 HB2 LEU A 435 -6.916 -21.490 18.513 1.00 0.00 H new ATOM 0 HB3 LEU A 435 -7.419 -23.042 17.874 1.00 0.00 H new ATOM 0 HG LEU A 435 -9.446 -22.939 19.339 1.00 0.00 H new ATOM 0 HD11 LEU A 435 -10.066 -20.760 20.309 1.00 0.00 H new ATOM 0 HD12 LEU A 435 -8.585 -21.414 21.047 1.00 0.00 H new ATOM 0 HD13 LEU A 435 -8.477 -20.107 19.845 1.00 0.00 H new ATOM 0 HD21 LEU A 435 -10.620 -21.268 17.959 1.00 0.00 H new ATOM 0 HD22 LEU A 435 -9.054 -20.634 17.402 1.00 0.00 H new ATOM 0 HD23 LEU A 435 -9.543 -22.293 16.981 1.00 0.00 H new ATOM 1236 N ASN A 436 -7.078 -25.479 19.516 1.00 0.00 N ATOM 1237 CA ASN A 436 -7.677 -26.789 19.743 1.00 0.00 C ATOM 1238 C ASN A 436 -7.422 -27.264 21.170 1.00 0.00 C ATOM 1239 O ASN A 436 -8.292 -27.864 21.800 1.00 0.00 O ATOM 1240 CB ASN A 436 -7.117 -27.807 18.747 1.00 0.00 C ATOM 1241 CG ASN A 436 -7.402 -29.238 19.161 1.00 0.00 C ATOM 1242 OD1 ASN A 436 -8.454 -29.791 18.838 1.00 0.00 O ATOM 1243 ND2 ASN A 436 -6.465 -29.844 19.880 1.00 0.00 N ATOM 0 H ASN A 436 -6.382 -25.456 18.771 1.00 0.00 H new ATOM 0 HA ASN A 436 -8.753 -26.700 19.596 1.00 0.00 H new ATOM 0 HB2 ASN A 436 -7.548 -27.624 17.763 1.00 0.00 H new ATOM 0 HB3 ASN A 436 -6.040 -27.666 18.654 1.00 0.00 H new ATOM 0 HD21 ASN A 436 -6.601 -30.807 20.188 1.00 0.00 H new ATOM 0 HD22 ASN A 436 -5.609 -29.347 20.124 1.00 0.00 H new ATOM 1250 N GLY A 437 -6.222 -26.991 21.674 1.00 0.00 N ATOM 1251 CA GLY A 437 -5.874 -27.397 23.023 1.00 0.00 C ATOM 1252 C GLY A 437 -6.599 -26.585 24.078 1.00 0.00 C ATOM 1253 O GLY A 437 -6.952 -27.104 25.137 1.00 0.00 O ATOM 0 H GLY A 437 -5.485 -26.496 21.172 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -6.112 -28.453 23.154 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -4.798 -27.293 23.164 1.00 0.00 H new ATOM 1257 N HIS A 438 -6.820 -25.306 23.790 1.00 0.00 N ATOM 1258 CA HIS A 438 -7.507 -24.420 24.723 1.00 0.00 C ATOM 1259 C HIS A 438 -8.960 -24.847 24.908 1.00 0.00 C ATOM 1260 O HIS A 438 -9.441 -24.971 26.035 1.00 0.00 O ATOM 1261 CB HIS A 438 -7.448 -22.976 24.225 1.00 0.00 C ATOM 1262 CG HIS A 438 -8.359 -22.048 24.968 1.00 0.00 C ATOM 1263 ND1 HIS A 438 -7.928 -21.227 25.989 1.00 0.00 N ATOM 1264 CD2 HIS A 438 -9.685 -21.813 24.833 1.00 0.00 C ATOM 1265 CE1 HIS A 438 -8.949 -20.528 26.450 1.00 0.00 C ATOM 1266 NE2 HIS A 438 -10.027 -20.865 25.765 1.00 0.00 N ATOM 0 H HIS A 438 -6.533 -24.860 22.918 1.00 0.00 H new ATOM 0 HA HIS A 438 -7.002 -24.485 25.687 1.00 0.00 H new ATOM 0 HB2 HIS A 438 -6.424 -22.612 24.311 1.00 0.00 H new ATOM 0 HB3 HIS A 438 -7.706 -22.955 23.166 1.00 0.00 H new ATOM 0 HD1 HIS A 438 -6.970 -21.169 26.334 1.00 0.00 H new ATOM 0 HD2 HIS A 438 -10.350 -22.284 24.124 1.00 0.00 H new ATOM 0 HE1 HIS A 438 -8.909 -19.804 27.251 1.00 0.00 H new ATOM 1274 N ILE A 439 -9.652 -25.070 23.797 1.00 0.00 N ATOM 1275 CA ILE A 439 -11.049 -25.484 23.838 1.00 0.00 C ATOM 1276 C ILE A 439 -11.239 -26.689 24.753 1.00 0.00 C ATOM 1277 O ILE A 439 -12.281 -26.839 25.392 1.00 0.00 O ATOM 1278 CB ILE A 439 -11.574 -25.834 22.433 1.00 0.00 C ATOM 1279 CG1 ILE A 439 -11.435 -24.630 21.498 1.00 0.00 C ATOM 1280 CG2 ILE A 439 -13.025 -26.288 22.507 1.00 0.00 C ATOM 1281 CD1 ILE A 439 -11.499 -24.993 20.031 1.00 0.00 C ATOM 0 H ILE A 439 -9.269 -24.971 22.857 1.00 0.00 H new ATOM 0 HA ILE A 439 -11.616 -24.640 24.230 1.00 0.00 H new ATOM 0 HB ILE A 439 -10.977 -26.653 22.032 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -12.226 -23.914 21.721 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -10.487 -24.131 21.699 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -13.381 -26.532 21.506 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -13.098 -27.170 23.143 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -13.636 -25.488 22.925 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -11.394 -24.091 19.428 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -10.692 -25.686 19.792 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -12.458 -25.464 19.814 1.00 0.00 H new ATOM 1293 N LYS A 440 -10.225 -27.544 24.814 1.00 0.00 N ATOM 1294 CA LYS A 440 -10.277 -28.735 25.654 1.00 0.00 C ATOM 1295 C LYS A 440 -9.700 -28.451 27.037 1.00 0.00 C ATOM 1296 O LYS A 440 -10.043 -29.121 28.011 1.00 0.00 O ATOM 1297 CB LYS A 440 -9.508 -29.883 24.995 1.00 0.00 C ATOM 1298 CG LYS A 440 -10.405 -30.912 24.328 1.00 0.00 C ATOM 1299 CD LYS A 440 -9.908 -32.327 24.573 1.00 0.00 C ATOM 1300 CE LYS A 440 -10.991 -33.355 24.284 1.00 0.00 C ATOM 1301 NZ LYS A 440 -11.472 -33.274 22.877 1.00 0.00 N ATOM 0 H LYS A 440 -9.356 -27.435 24.291 1.00 0.00 H new ATOM 0 HA LYS A 440 -11.322 -29.023 25.768 1.00 0.00 H new ATOM 0 HB2 LYS A 440 -8.825 -29.472 24.251 1.00 0.00 H new ATOM 0 HB3 LYS A 440 -8.897 -30.380 25.749 1.00 0.00 H new ATOM 0 HG2 LYS A 440 -11.421 -30.811 24.709 1.00 0.00 H new ATOM 0 HG3 LYS A 440 -10.446 -30.720 23.256 1.00 0.00 H new ATOM 0 HD2 LYS A 440 -9.041 -32.524 23.943 1.00 0.00 H new ATOM 0 HD3 LYS A 440 -9.579 -32.424 25.608 1.00 0.00 H new ATOM 0 HE2 LYS A 440 -10.603 -34.355 24.478 1.00 0.00 H new ATOM 0 HE3 LYS A 440 -11.829 -33.200 24.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 -12.094 -34.083 22.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 -12.000 -32.388 22.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 -10.658 -33.294 22.230 1.00 0.00 H new ATOM 1315 N GLN A 441 -8.825 -27.454 27.115 1.00 0.00 N ATOM 1316 CA GLN A 441 -8.202 -27.082 28.380 1.00 0.00 C ATOM 1317 C GLN A 441 -9.168 -26.281 29.248 1.00 0.00 C ATOM 1318 O GLN A 441 -9.601 -26.745 30.303 1.00 0.00 O ATOM 1319 CB GLN A 441 -6.932 -26.268 28.127 1.00 0.00 C ATOM 1320 CG GLN A 441 -6.031 -26.153 29.346 1.00 0.00 C ATOM 1321 CD GLN A 441 -5.311 -24.821 29.416 1.00 0.00 C ATOM 1322 OE1 GLN A 441 -4.951 -24.242 28.391 1.00 0.00 O ATOM 1323 NE2 GLN A 441 -5.096 -24.327 30.630 1.00 0.00 N ATOM 0 H GLN A 441 -8.531 -26.889 26.318 1.00 0.00 H new ATOM 0 HA GLN A 441 -7.939 -27.998 28.910 1.00 0.00 H new ATOM 0 HB2 GLN A 441 -6.371 -26.728 27.313 1.00 0.00 H new ATOM 0 HB3 GLN A 441 -7.211 -25.268 27.796 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -6.628 -26.287 30.248 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -5.297 -26.958 29.327 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -5.412 -24.841 31.453 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -4.615 -23.434 30.739 1.00 0.00 H new ATOM 1332 N VAL A 442 -9.503 -25.077 28.796 1.00 0.00 N ATOM 1333 CA VAL A 442 -10.419 -24.212 29.530 1.00 0.00 C ATOM 1334 C VAL A 442 -11.860 -24.688 29.385 1.00 0.00 C ATOM 1335 O VAL A 442 -12.503 -25.063 30.365 1.00 0.00 O ATOM 1336 CB VAL A 442 -10.320 -22.752 29.049 1.00 0.00 C ATOM 1337 CG1 VAL A 442 -11.252 -21.860 29.854 1.00 0.00 C ATOM 1338 CG2 VAL A 442 -8.884 -22.258 29.140 1.00 0.00 C ATOM 0 H VAL A 442 -9.154 -24.678 27.925 1.00 0.00 H new ATOM 0 HA VAL A 442 -10.128 -24.261 30.579 1.00 0.00 H new ATOM 0 HB VAL A 442 -10.629 -22.710 28.005 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -11.168 -20.833 29.500 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -12.279 -22.203 29.732 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -10.977 -21.904 30.908 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -8.832 -21.225 28.796 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -8.545 -22.314 30.174 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -8.245 -22.881 28.515 1.00 0.00 H new ATOM 1348 N HIS A 443 -12.362 -24.669 28.154 1.00 0.00 N ATOM 1349 CA HIS A 443 -13.728 -25.100 27.879 1.00 0.00 C ATOM 1350 C HIS A 443 -13.800 -26.617 27.732 1.00 0.00 C ATOM 1351 O HIS A 443 -12.837 -27.325 28.025 1.00 0.00 O ATOM 1352 CB HIS A 443 -14.251 -24.427 26.610 1.00 0.00 C ATOM 1353 CG HIS A 443 -13.979 -22.955 26.556 1.00 0.00 C ATOM 1354 ND1 HIS A 443 -14.465 -22.065 27.490 1.00 0.00 N ATOM 1355 CD2 HIS A 443 -13.264 -22.219 25.673 1.00 0.00 C ATOM 1356 CE1 HIS A 443 -14.063 -20.845 27.183 1.00 0.00 C ATOM 1357 NE2 HIS A 443 -13.331 -20.911 26.085 1.00 0.00 N ATOM 0 H HIS A 443 -11.844 -24.360 27.332 1.00 0.00 H new ATOM 0 HA HIS A 443 -14.353 -24.805 28.722 1.00 0.00 H new ATOM 0 HB2 HIS A 443 -13.796 -24.904 25.742 1.00 0.00 H new ATOM 0 HB3 HIS A 443 -15.326 -24.592 26.538 1.00 0.00 H new ATOM 0 HD1 HIS A 443 -15.045 -22.310 28.293 1.00 0.00 H new ATOM 0 HD2 HIS A 443 -12.739 -22.591 24.806 1.00 0.00 H new ATOM 0 HE1 HIS A 443 -14.293 -19.946 27.736 1.00 0.00 H new