USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 369 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.019) USER MOD Set 1.2: A 371 LYS NZ :NH3+ -136:sc=-0.00578 (180deg=-0.0976) USER MOD Single : A 368 MET CE :methyl 151:sc= -0.371 (180deg=-1.97) USER MOD Single : A 373 GLN : amide:sc= -2.68! K(o=-2.7!,f=-0.81) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot 180:sc= 0 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-5.7!) USER MOD Single : A 387 TYR OH : rot 165:sc= -3.91! USER MOD Single : A 389 THR OG1 : rot 150:sc= -1.96! USER MOD Single : A 391 LYS NZ :NH3+ -172:sc= -0.664 (180deg=-0.773) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot -157:sc= -1.5! USER MOD Single : A 399 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.8) USER MOD Single : A 400 SER OG : rot -2:sc= -0.701 USER MOD Single : A 404 CYS SG : rot -74:sc= -2.76 USER MOD Single : A 410 THR OG1 : rot 180:sc= -0.703 USER MOD Single : A 414 THR OG1 : rot 15:sc= 0.908 USER MOD Single : A 419 ASN : amide:sc= -0.392 K(o=-0.39,f=-3!) USER MOD Single : A 421 LYS NZ :NH3+ 140:sc= -0.0198 (180deg=-0.772) USER MOD Single : A 430 ASN : amide:sc= -1.85! C(o=-1.9!,f=-9.2!) USER MOD Single : A 435 LYS NZ :NH3+ -142:sc= 1.19 (180deg=-0.459) USER MOD Single : A 436 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00437) USER MOD Single : A 437 MET CE :methyl 152:sc= -1.94! (180deg=-4.33!) USER MOD Single : A 441 TYR OH : rot 100:sc= -1.99! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.415 K(o=-0.41,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.788 -7.080 7.083 1.00 0.00 N ATOM 41 CA ASP A 367 -8.925 -6.219 6.781 1.00 0.00 C ATOM 42 C ASP A 367 -9.682 -6.732 5.563 1.00 0.00 C ATOM 43 O ASP A 367 -9.419 -7.833 5.079 1.00 0.00 O ATOM 44 CB ASP A 367 -8.453 -4.782 6.548 1.00 0.00 C ATOM 45 CG ASP A 367 -8.045 -4.101 7.840 1.00 0.00 C ATOM 46 OD1 ASP A 367 -7.054 -4.544 8.457 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.720 -3.128 8.237 1.00 0.00 O ATOM 0 HA ASP A 367 -9.603 -6.232 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.609 -4.785 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.251 -4.211 6.074 1.00 0.00 H new ATOM 52 N MET A 368 -10.627 -5.939 5.070 1.00 0.00 N ATOM 53 CA MET A 368 -11.415 -6.335 3.912 1.00 0.00 C ATOM 54 C MET A 368 -11.014 -5.547 2.673 1.00 0.00 C ATOM 55 O MET A 368 -10.807 -6.118 1.604 1.00 0.00 O ATOM 56 CB MET A 368 -12.905 -6.135 4.193 1.00 0.00 C ATOM 57 CG MET A 368 -13.474 -7.140 5.180 1.00 0.00 C ATOM 58 SD MET A 368 -12.864 -6.885 6.857 1.00 0.00 S ATOM 59 CE MET A 368 -11.975 -8.416 7.128 1.00 0.00 C ATOM 0 H MET A 368 -10.864 -5.024 5.453 1.00 0.00 H new ATOM 0 HA MET A 368 -11.221 -7.391 3.722 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.062 -5.128 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.456 -6.206 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 368 -14.562 -7.070 5.178 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.219 -8.148 4.854 1.00 0.00 H new ATOM 0 HE1 MET A 368 -11.156 -8.242 7.826 1.00 0.00 H new ATOM 0 HE2 MET A 368 -12.653 -9.162 7.543 1.00 0.00 H new ATOM 0 HE3 MET A 368 -11.574 -8.777 6.181 1.00 0.00 H new ATOM 69 N ASN A 369 -10.914 -4.233 2.821 1.00 0.00 N ATOM 70 CA ASN A 369 -10.546 -3.375 1.705 1.00 0.00 C ATOM 71 C ASN A 369 -9.357 -2.482 2.052 1.00 0.00 C ATOM 72 O ASN A 369 -9.522 -1.294 2.330 1.00 0.00 O ATOM 73 CB ASN A 369 -11.744 -2.515 1.317 1.00 0.00 C ATOM 74 CG ASN A 369 -12.589 -3.151 0.229 1.00 0.00 C ATOM 75 OD1 ASN A 369 -13.787 -3.369 0.405 1.00 0.00 O ATOM 76 ND2 ASN A 369 -11.965 -3.453 -0.902 1.00 0.00 N ATOM 0 H ASN A 369 -11.082 -3.741 3.698 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.252 -4.008 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.362 -2.341 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.393 -1.541 0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -12.480 -3.884 -1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -10.970 -3.254 -1.004 1.00 0.00 H new ATOM 83 N ALA A 370 -8.160 -3.056 2.011 1.00 0.00 N ATOM 84 CA ALA A 370 -6.941 -2.304 2.296 1.00 0.00 C ATOM 85 C ALA A 370 -6.480 -1.542 1.064 1.00 0.00 C ATOM 86 O ALA A 370 -6.375 -0.319 1.080 1.00 0.00 O ATOM 87 CB ALA A 370 -5.836 -3.214 2.802 1.00 0.00 C ATOM 0 H ALA A 370 -8.006 -4.038 1.784 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.171 -1.586 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -4.943 -2.623 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.161 -3.706 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.610 -3.966 2.047 1.00 0.00 H new ATOM 93 N LYS A 371 -6.224 -2.277 -0.013 1.00 0.00 N ATOM 94 CA LYS A 371 -5.796 -1.666 -1.267 1.00 0.00 C ATOM 95 C LYS A 371 -6.852 -0.674 -1.731 1.00 0.00 C ATOM 96 O LYS A 371 -6.572 0.260 -2.476 1.00 0.00 O ATOM 97 CB LYS A 371 -5.569 -2.736 -2.340 1.00 0.00 C ATOM 98 CG LYS A 371 -6.840 -3.437 -2.789 1.00 0.00 C ATOM 99 CD LYS A 371 -7.085 -4.710 -1.996 1.00 0.00 C ATOM 100 CE LYS A 371 -8.222 -5.527 -2.589 1.00 0.00 C ATOM 101 NZ LYS A 371 -9.488 -4.748 -2.653 1.00 0.00 N ATOM 0 H LYS A 371 -6.305 -3.293 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.853 -1.144 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.096 -2.273 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.872 -3.480 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.689 -2.764 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.769 -3.676 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.175 -5.310 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.319 -4.456 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.948 -5.858 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.377 -6.423 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -10.278 -5.342 -2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -9.411 -3.910 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.661 -4.446 -3.633 1.00 0.00 H new ATOM 115 N ARG A 372 -8.066 -0.889 -1.247 1.00 0.00 N ATOM 116 CA ARG A 372 -9.183 -0.019 -1.570 1.00 0.00 C ATOM 117 C ARG A 372 -9.186 1.185 -0.639 1.00 0.00 C ATOM 118 O ARG A 372 -9.134 2.329 -1.091 1.00 0.00 O ATOM 119 CB ARG A 372 -10.505 -0.779 -1.470 1.00 0.00 C ATOM 120 CG ARG A 372 -11.728 0.125 -1.380 1.00 0.00 C ATOM 121 CD ARG A 372 -12.541 0.078 -2.660 1.00 0.00 C ATOM 122 NE ARG A 372 -13.699 0.964 -2.606 1.00 0.00 N ATOM 123 CZ ARG A 372 -14.421 1.290 -3.670 1.00 0.00 C ATOM 124 NH1 ARG A 372 -14.108 0.797 -4.861 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.458 2.106 -3.546 1.00 0.00 N ATOM 0 H ARG A 372 -8.302 -1.663 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.071 0.329 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.607 -1.428 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.477 -1.425 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.350 -0.183 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.412 1.150 -1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -11.908 0.360 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.875 -0.944 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 372 -13.968 1.353 -1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -13.312 0.167 -4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -14.663 1.048 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -15.702 2.485 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -16.012 2.355 -4.366 1.00 0.00 H new ATOM 139 N GLN A 373 -9.251 0.925 0.662 1.00 0.00 N ATOM 140 CA GLN A 373 -9.261 2.003 1.642 1.00 0.00 C ATOM 141 C GLN A 373 -8.026 2.882 1.484 1.00 0.00 C ATOM 142 O GLN A 373 -8.092 4.100 1.647 1.00 0.00 O ATOM 143 CB GLN A 373 -9.347 1.432 3.058 1.00 0.00 C ATOM 144 CG GLN A 373 -9.325 2.498 4.139 1.00 0.00 C ATOM 145 CD GLN A 373 -10.436 2.326 5.156 1.00 0.00 C ATOM 146 OE1 GLN A 373 -11.559 1.959 4.811 1.00 0.00 O ATOM 147 NE2 GLN A 373 -10.125 2.593 6.419 1.00 0.00 N ATOM 0 H GLN A 373 -9.297 -0.013 1.059 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.141 2.623 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.263 0.849 3.152 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.515 0.746 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.363 2.470 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.412 3.481 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -9.181 2.895 6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -10.831 2.497 7.149 1.00 0.00 H new ATOM 156 N LEU A 374 -6.906 2.254 1.153 1.00 0.00 N ATOM 157 CA LEU A 374 -5.653 2.956 0.952 1.00 0.00 C ATOM 158 C LEU A 374 -5.713 3.783 -0.329 1.00 0.00 C ATOM 159 O LEU A 374 -5.614 5.010 -0.292 1.00 0.00 O ATOM 160 CB LEU A 374 -4.508 1.946 0.880 1.00 0.00 C ATOM 161 CG LEU A 374 -3.128 2.548 0.648 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.821 2.625 -0.839 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.042 3.921 1.291 1.00 0.00 C ATOM 0 H LEU A 374 -6.844 1.245 1.017 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.480 3.631 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.487 1.377 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.718 1.239 0.078 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.382 1.903 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.831 3.058 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.846 1.623 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.566 3.249 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.051 4.342 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.796 4.576 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.217 3.832 2.363 1.00 0.00 H new ATOM 175 N TYR A 375 -5.896 3.106 -1.460 1.00 0.00 N ATOM 176 CA TYR A 375 -5.994 3.792 -2.745 1.00 0.00 C ATOM 177 C TYR A 375 -6.874 5.016 -2.591 1.00 0.00 C ATOM 178 O TYR A 375 -6.643 6.064 -3.193 1.00 0.00 O ATOM 179 CB TYR A 375 -6.585 2.865 -3.799 1.00 0.00 C ATOM 180 CG TYR A 375 -6.297 3.285 -5.222 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.108 3.921 -5.563 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.223 3.042 -6.228 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.854 4.301 -6.868 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.975 3.419 -7.534 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.790 4.048 -7.849 1.00 0.00 C ATOM 186 OH TYR A 375 -5.538 4.424 -9.147 1.00 0.00 O ATOM 0 H TYR A 375 -5.979 2.091 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 375 -4.996 4.092 -3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.195 1.859 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.665 2.814 -3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.373 4.121 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.153 2.550 -5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.926 4.794 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.706 3.222 -8.304 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.297 4.172 -9.714 1.00 0.00 H new ATOM 196 N SER A 376 -7.878 4.867 -1.747 1.00 0.00 N ATOM 197 CA SER A 376 -8.799 5.952 -1.462 1.00 0.00 C ATOM 198 C SER A 376 -8.115 6.974 -0.561 1.00 0.00 C ATOM 199 O SER A 376 -8.120 8.173 -0.838 1.00 0.00 O ATOM 200 CB SER A 376 -10.063 5.415 -0.784 1.00 0.00 C ATOM 201 OG SER A 376 -10.749 6.447 -0.094 1.00 0.00 O ATOM 0 H SER A 376 -8.077 4.002 -1.245 1.00 0.00 H new ATOM 0 HA SER A 376 -9.087 6.430 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.721 4.973 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.796 4.621 -0.086 1.00 0.00 H new ATOM 0 HG SER A 376 -11.553 6.079 0.329 1.00 0.00 H new ATOM 207 N LEU A 377 -7.528 6.473 0.521 1.00 0.00 N ATOM 208 CA LEU A 377 -6.834 7.310 1.491 1.00 0.00 C ATOM 209 C LEU A 377 -5.656 8.047 0.859 1.00 0.00 C ATOM 210 O LEU A 377 -5.611 9.277 0.866 1.00 0.00 O ATOM 211 CB LEU A 377 -6.353 6.450 2.662 1.00 0.00 C ATOM 212 CG LEU A 377 -7.347 6.320 3.819 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.362 4.897 4.350 1.00 0.00 C ATOM 214 CD2 LEU A 377 -7.006 7.302 4.931 1.00 0.00 C ATOM 0 H LEU A 377 -7.520 5.479 0.749 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.535 8.062 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.120 5.453 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.424 6.872 3.046 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.343 6.558 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -8.074 4.823 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -7.656 4.214 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.367 4.631 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.724 7.194 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.002 7.096 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -7.047 8.320 4.543 1.00 0.00 H new ATOM 226 N ILE A 378 -4.695 7.297 0.325 1.00 0.00 N ATOM 227 CA ILE A 378 -3.518 7.903 -0.291 1.00 0.00 C ATOM 228 C ILE A 378 -3.553 7.794 -1.812 1.00 0.00 C ATOM 229 O ILE A 378 -3.236 8.753 -2.513 1.00 0.00 O ATOM 230 CB ILE A 378 -2.243 7.199 0.207 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.057 7.420 1.706 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.031 7.670 -0.572 1.00 0.00 C ATOM 233 CD1 ILE A 378 -0.995 6.531 2.316 1.00 0.00 C ATOM 0 H ILE A 378 -4.707 6.277 0.306 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.517 8.956 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.352 6.128 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.793 8.463 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.005 7.241 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.141 7.160 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.168 7.444 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.912 8.746 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.914 6.740 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.268 5.486 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.037 6.726 1.835 1.00 0.00 H new ATOM 245 N GLY A 379 -3.918 6.610 -2.303 1.00 0.00 N ATOM 246 CA GLY A 379 -3.969 6.366 -3.739 1.00 0.00 C ATOM 247 C GLY A 379 -4.163 7.627 -4.557 1.00 0.00 C ATOM 248 O GLY A 379 -5.065 8.421 -4.285 1.00 0.00 O ATOM 0 H GLY A 379 -4.181 5.810 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.045 5.878 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.783 5.674 -3.954 1.00 0.00 H new ATOM 252 N TYR A 380 -3.315 7.810 -5.561 1.00 0.00 N ATOM 253 CA TYR A 380 -3.391 8.979 -6.426 1.00 0.00 C ATOM 254 C TYR A 380 -2.622 8.742 -7.720 1.00 0.00 C ATOM 255 O TYR A 380 -1.453 8.358 -7.697 1.00 0.00 O ATOM 256 CB TYR A 380 -2.834 10.210 -5.707 1.00 0.00 C ATOM 257 CG TYR A 380 -3.845 10.908 -4.827 1.00 0.00 C ATOM 258 CD1 TYR A 380 -5.061 11.342 -5.342 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.586 11.133 -3.481 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.987 11.981 -4.540 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.509 11.770 -2.673 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.707 12.192 -3.207 1.00 0.00 C ATOM 263 OH TYR A 380 -6.627 12.826 -2.405 1.00 0.00 O ATOM 0 H TYR A 380 -2.564 7.161 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.439 9.154 -6.670 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.981 9.909 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.462 10.916 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.285 11.177 -6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.648 10.805 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.926 12.314 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -4.292 11.936 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 380 -6.274 12.894 -1.493 1.00 0.00 H new ATOM 273 N ALA A 381 -3.284 8.971 -8.848 1.00 0.00 N ATOM 274 CA ALA A 381 -2.657 8.781 -10.150 1.00 0.00 C ATOM 275 C ALA A 381 -1.230 9.314 -10.145 1.00 0.00 C ATOM 276 O ALA A 381 -0.376 8.841 -10.896 1.00 0.00 O ATOM 277 CB ALA A 381 -3.465 9.455 -11.249 1.00 0.00 C ATOM 0 H ALA A 381 -4.253 9.288 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.629 7.710 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -2.975 9.298 -12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.467 9.027 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.533 10.524 -11.047 1.00 0.00 H new ATOM 283 N SER A 382 -0.978 10.304 -9.294 1.00 0.00 N ATOM 284 CA SER A 382 0.345 10.907 -9.192 1.00 0.00 C ATOM 285 C SER A 382 1.247 10.108 -8.252 1.00 0.00 C ATOM 286 O SER A 382 2.432 9.922 -8.528 1.00 0.00 O ATOM 287 CB SER A 382 0.229 12.351 -8.702 1.00 0.00 C ATOM 288 OG SER A 382 -0.205 13.210 -9.742 1.00 0.00 O ATOM 0 H SER A 382 -1.674 10.705 -8.665 1.00 0.00 H new ATOM 0 HA SER A 382 0.796 10.898 -10.184 1.00 0.00 H new ATOM 0 HB2 SER A 382 -0.472 12.400 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 382 1.195 12.689 -8.326 1.00 0.00 H new ATOM 0 HG SER A 382 -0.273 14.127 -9.402 1.00 0.00 H new ATOM 294 N LEU A 383 0.683 9.642 -7.141 1.00 0.00 N ATOM 295 CA LEU A 383 1.449 8.868 -6.164 1.00 0.00 C ATOM 296 C LEU A 383 1.867 7.522 -6.735 1.00 0.00 C ATOM 297 O LEU A 383 2.723 6.838 -6.176 1.00 0.00 O ATOM 298 CB LEU A 383 0.621 8.641 -4.897 1.00 0.00 C ATOM 299 CG LEU A 383 0.717 9.732 -3.830 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.493 9.138 -2.450 1.00 0.00 C ATOM 301 CD2 LEU A 383 2.064 10.438 -3.886 1.00 0.00 C ATOM 0 H LEU A 383 -0.296 9.785 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 383 2.344 9.440 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -0.425 8.533 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.928 7.695 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 383 -0.060 10.470 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.564 9.925 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.496 8.683 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 383 1.251 8.379 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 383 2.103 11.208 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 383 2.861 9.714 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 383 2.193 10.898 -4.866 1.00 0.00 H new ATOM 313 N ARG A 384 1.264 7.148 -7.852 1.00 0.00 N ATOM 314 CA ARG A 384 1.578 5.884 -8.499 1.00 0.00 C ATOM 315 C ARG A 384 1.820 4.770 -7.478 1.00 0.00 C ATOM 316 O ARG A 384 2.723 3.952 -7.651 1.00 0.00 O ATOM 317 CB ARG A 384 2.810 6.045 -9.392 1.00 0.00 C ATOM 318 CG ARG A 384 2.722 5.275 -10.699 1.00 0.00 C ATOM 319 CD ARG A 384 3.376 3.908 -10.584 1.00 0.00 C ATOM 320 NE ARG A 384 4.280 3.636 -11.699 1.00 0.00 N ATOM 321 CZ ARG A 384 5.372 4.350 -11.952 1.00 0.00 C ATOM 322 NH1 ARG A 384 5.694 5.374 -11.173 1.00 0.00 N ATOM 323 NH2 ARG A 384 6.144 4.040 -12.985 1.00 0.00 N ATOM 0 H ARG A 384 0.554 7.702 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 384 0.719 5.601 -9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.952 7.103 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.691 5.713 -8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 384 1.676 5.157 -10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 384 3.205 5.845 -11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 384 3.929 3.849 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 384 2.604 3.139 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 384 4.061 2.855 -12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 384 5.103 5.615 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 384 6.533 5.920 -11.369 1.00 0.00 H new ATOM 0 HH21 ARG A 384 5.900 3.253 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 384 6.982 4.589 -13.178 1.00 0.00 H new ATOM 337 N LEU A 385 1.006 4.725 -6.421 1.00 0.00 N ATOM 338 CA LEU A 385 1.150 3.689 -5.404 1.00 0.00 C ATOM 339 C LEU A 385 0.901 2.320 -6.030 1.00 0.00 C ATOM 340 O LEU A 385 0.048 2.179 -6.906 1.00 0.00 O ATOM 341 CB LEU A 385 0.200 3.950 -4.226 1.00 0.00 C ATOM 342 CG LEU A 385 -1.288 3.707 -4.489 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.706 4.288 -5.826 1.00 0.00 C ATOM 344 CD2 LEU A 385 -1.614 2.226 -4.435 1.00 0.00 C ATOM 0 H LEU A 385 0.249 5.387 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 385 2.167 3.709 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.508 3.319 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.327 4.985 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.849 4.213 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.768 4.101 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.522 5.362 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.129 3.818 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -2.677 2.080 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -1.034 1.698 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.365 1.834 -3.449 1.00 0.00 H new ATOM 356 N HIS A 386 1.666 1.319 -5.600 1.00 0.00 N ATOM 357 CA HIS A 386 1.536 -0.027 -6.151 1.00 0.00 C ATOM 358 C HIS A 386 1.880 -1.085 -5.105 1.00 0.00 C ATOM 359 O HIS A 386 2.395 -0.768 -4.033 1.00 0.00 O ATOM 360 CB HIS A 386 2.453 -0.170 -7.373 1.00 0.00 C ATOM 361 CG HIS A 386 2.884 -1.576 -7.669 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.014 -2.156 -7.120 1.00 0.00 N ATOM 363 CD2 HIS A 386 2.344 -2.513 -8.484 1.00 0.00 C ATOM 364 CE1 HIS A 386 4.147 -3.383 -7.589 1.00 0.00 C ATOM 365 NE2 HIS A 386 3.147 -3.623 -8.417 1.00 0.00 N ATOM 0 H HIS A 386 2.378 1.414 -4.876 1.00 0.00 H new ATOM 0 HA HIS A 386 0.500 -0.181 -6.453 1.00 0.00 H new ATOM 0 HB2 HIS A 386 1.938 0.230 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 386 3.341 0.443 -7.218 1.00 0.00 H new ATOM 0 HD2 HIS A 386 1.448 -2.406 -9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 386 4.939 -4.073 -7.338 1.00 0.00 H new ATOM 0 HE2 HIS A 386 2.996 -4.494 -8.925 1.00 0.00 H new ATOM 374 N TYR A 387 1.587 -2.343 -5.423 1.00 0.00 N ATOM 375 CA TYR A 387 1.862 -3.446 -4.510 1.00 0.00 C ATOM 376 C TYR A 387 2.949 -4.356 -5.070 1.00 0.00 C ATOM 377 O TYR A 387 2.786 -4.969 -6.125 1.00 0.00 O ATOM 378 CB TYR A 387 0.578 -4.228 -4.239 1.00 0.00 C ATOM 379 CG TYR A 387 -0.580 -3.327 -3.882 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.796 -2.931 -2.568 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.441 -2.850 -4.862 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.837 -2.086 -2.241 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.488 -2.008 -4.541 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.681 -1.627 -3.230 1.00 0.00 C ATOM 385 OH TYR A 387 -3.716 -0.780 -2.909 1.00 0.00 O ATOM 0 H TYR A 387 1.159 -2.623 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 387 2.227 -3.039 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.320 -4.815 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.750 -4.933 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -0.139 -3.290 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.290 -3.142 -5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.990 -1.786 -1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.152 -1.650 -5.313 1.00 0.00 H new ATOM 0 HH TYR A 387 -4.062 -0.363 -3.725 1.00 0.00 H new ATOM 395 N VAL A 388 4.058 -4.426 -4.349 1.00 0.00 N ATOM 396 CA VAL A 388 5.193 -5.242 -4.756 1.00 0.00 C ATOM 397 C VAL A 388 5.237 -6.560 -3.997 1.00 0.00 C ATOM 398 O VAL A 388 5.122 -6.584 -2.777 1.00 0.00 O ATOM 399 CB VAL A 388 6.520 -4.493 -4.538 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.531 -3.805 -3.184 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.696 -5.444 -4.661 1.00 0.00 C ATOM 0 H VAL A 388 4.197 -3.923 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 388 5.064 -5.451 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 388 6.612 -3.730 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.478 -3.281 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.710 -3.090 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.413 -4.549 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.625 -4.896 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.608 -6.231 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.701 -5.889 -5.656 1.00 0.00 H new ATOM 411 N THR A 389 5.421 -7.653 -4.731 1.00 0.00 N ATOM 412 CA THR A 389 5.496 -8.977 -4.126 1.00 0.00 C ATOM 413 C THR A 389 6.946 -9.396 -3.917 1.00 0.00 C ATOM 414 O THR A 389 7.663 -9.691 -4.874 1.00 0.00 O ATOM 415 CB THR A 389 4.789 -10.036 -4.991 1.00 0.00 C ATOM 416 OG1 THR A 389 3.419 -9.686 -5.228 1.00 0.00 O ATOM 417 CG2 THR A 389 4.830 -11.401 -4.318 1.00 0.00 C ATOM 0 H THR A 389 5.521 -7.647 -5.746 1.00 0.00 H new ATOM 0 HA THR A 389 4.990 -8.914 -3.162 1.00 0.00 H new ATOM 0 HB THR A 389 5.321 -10.076 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.135 -10.043 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.324 -12.133 -4.948 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.867 -11.703 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.328 -11.346 -3.352 1.00 0.00 H new ATOM 425 N VAL A 390 7.372 -9.423 -2.660 1.00 0.00 N ATOM 426 CA VAL A 390 8.740 -9.811 -2.325 1.00 0.00 C ATOM 427 C VAL A 390 8.859 -11.324 -2.217 1.00 0.00 C ATOM 428 O VAL A 390 9.861 -11.910 -2.628 1.00 0.00 O ATOM 429 CB VAL A 390 9.230 -9.174 -1.005 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.455 -8.309 -1.252 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.128 -8.361 -0.341 1.00 0.00 C ATOM 0 H VAL A 390 6.793 -9.182 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 390 9.370 -9.443 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 390 9.505 -9.982 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.785 -7.869 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.255 -8.922 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.204 -7.515 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.504 -7.926 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 390 7.809 -7.564 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.281 -9.010 -0.119 1.00 0.00 H new ATOM 441 N LYS A 391 7.826 -11.953 -1.668 1.00 0.00 N ATOM 442 CA LYS A 391 7.812 -13.404 -1.514 1.00 0.00 C ATOM 443 C LYS A 391 6.411 -13.963 -1.754 1.00 0.00 C ATOM 444 O LYS A 391 5.417 -13.245 -1.653 1.00 0.00 O ATOM 445 CB LYS A 391 8.348 -13.807 -0.128 1.00 0.00 C ATOM 446 CG LYS A 391 7.297 -14.317 0.850 1.00 0.00 C ATOM 447 CD LYS A 391 7.925 -15.176 1.938 1.00 0.00 C ATOM 448 CE LYS A 391 8.068 -16.623 1.497 1.00 0.00 C ATOM 449 NZ LYS A 391 8.620 -17.479 2.583 1.00 0.00 N ATOM 0 H LYS A 391 6.989 -11.483 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 391 8.472 -13.836 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.105 -14.580 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.847 -12.945 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.779 -13.472 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.548 -14.898 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.905 -14.776 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.313 -15.129 2.838 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.095 -17.007 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.721 -16.675 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 8.830 -18.425 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.493 -17.052 2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 7.923 -17.559 3.350 1.00 0.00 H new ATOM 463 N LYS A 392 6.346 -15.251 -2.075 1.00 0.00 N ATOM 464 CA LYS A 392 5.075 -15.919 -2.334 1.00 0.00 C ATOM 465 C LYS A 392 5.039 -17.287 -1.664 1.00 0.00 C ATOM 466 O LYS A 392 6.058 -17.774 -1.175 1.00 0.00 O ATOM 467 CB LYS A 392 4.854 -16.080 -3.841 1.00 0.00 C ATOM 468 CG LYS A 392 5.966 -15.484 -4.690 1.00 0.00 C ATOM 469 CD LYS A 392 7.118 -16.460 -4.866 1.00 0.00 C ATOM 470 CE LYS A 392 8.137 -15.943 -5.869 1.00 0.00 C ATOM 471 NZ LYS A 392 8.570 -17.005 -6.819 1.00 0.00 N ATOM 0 H LYS A 392 7.163 -15.856 -2.162 1.00 0.00 H new ATOM 0 HA LYS A 392 4.279 -15.302 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.760 -17.141 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.909 -15.609 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.570 -15.207 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.331 -14.569 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.604 -16.628 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.733 -17.423 -5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 392 7.708 -15.111 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 392 9.006 -15.556 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 9.264 -16.612 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 9.003 -17.789 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 7.745 -17.357 -7.346 1.00 0.00 H new ATOM 485 N PRO A 393 3.862 -17.927 -1.634 1.00 0.00 N ATOM 486 CA PRO A 393 3.700 -19.248 -1.022 1.00 0.00 C ATOM 487 C PRO A 393 4.577 -20.296 -1.693 1.00 0.00 C ATOM 488 O PRO A 393 4.617 -20.393 -2.919 1.00 0.00 O ATOM 489 CB PRO A 393 2.216 -19.572 -1.233 1.00 0.00 C ATOM 490 CG PRO A 393 1.774 -18.667 -2.332 1.00 0.00 C ATOM 491 CD PRO A 393 2.601 -17.421 -2.197 1.00 0.00 C ATOM 0 HA PRO A 393 3.996 -19.250 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.075 -20.619 -1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.641 -19.398 -0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 393 1.925 -19.133 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.711 -18.441 -2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.755 -16.931 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.129 -16.691 -1.540 1.00 0.00 H new ATOM 499 N THR A 394 5.282 -21.076 -0.883 1.00 0.00 N ATOM 500 CA THR A 394 6.163 -22.113 -1.399 1.00 0.00 C ATOM 501 C THR A 394 6.171 -23.334 -0.484 1.00 0.00 C ATOM 502 O THR A 394 5.897 -23.228 0.711 1.00 0.00 O ATOM 503 CB THR A 394 7.603 -21.590 -1.556 1.00 0.00 C ATOM 504 OG1 THR A 394 8.302 -21.603 -0.305 1.00 0.00 O ATOM 505 CG2 THR A 394 7.603 -20.167 -2.095 1.00 0.00 C ATOM 0 H THR A 394 5.260 -21.009 0.135 1.00 0.00 H new ATOM 0 HA THR A 394 5.779 -22.402 -2.377 1.00 0.00 H new ATOM 0 HB THR A 394 8.109 -22.253 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 394 9.040 -20.958 -0.336 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.630 -19.817 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.113 -20.147 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.066 -19.517 -1.405 1.00 0.00 H new ATOM 513 N ALA A 395 6.487 -24.492 -1.055 1.00 0.00 N ATOM 514 CA ALA A 395 6.529 -25.734 -0.295 1.00 0.00 C ATOM 515 C ALA A 395 7.203 -25.527 1.054 1.00 0.00 C ATOM 516 O ALA A 395 6.650 -25.871 2.099 1.00 0.00 O ATOM 517 CB ALA A 395 7.247 -26.823 -1.076 1.00 0.00 C ATOM 0 H ALA A 395 6.718 -24.595 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 395 5.500 -26.050 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.266 -27.741 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.723 -27.004 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.269 -26.506 -1.287 1.00 0.00 H new ATOM 523 N VAL A 396 8.402 -24.964 1.023 1.00 0.00 N ATOM 524 CA VAL A 396 9.158 -24.709 2.237 1.00 0.00 C ATOM 525 C VAL A 396 8.431 -23.717 3.136 1.00 0.00 C ATOM 526 O VAL A 396 8.402 -23.873 4.358 1.00 0.00 O ATOM 527 CB VAL A 396 10.566 -24.175 1.910 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.146 -24.918 0.717 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.536 -22.674 1.644 1.00 0.00 C ATOM 0 H VAL A 396 8.873 -24.675 0.166 1.00 0.00 H new ATOM 0 HA VAL A 396 9.255 -25.658 2.765 1.00 0.00 H new ATOM 0 HB VAL A 396 11.206 -24.348 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.141 -24.531 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.213 -25.981 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.501 -24.775 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.543 -22.325 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.880 -22.467 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.163 -22.155 2.527 1.00 0.00 H new ATOM 539 N ASP A 397 7.847 -22.694 2.522 1.00 0.00 N ATOM 540 CA ASP A 397 7.123 -21.671 3.265 1.00 0.00 C ATOM 541 C ASP A 397 5.965 -21.107 2.445 1.00 0.00 C ATOM 542 O ASP A 397 6.174 -20.358 1.491 1.00 0.00 O ATOM 543 CB ASP A 397 8.073 -20.541 3.667 1.00 0.00 C ATOM 544 CG ASP A 397 8.394 -20.556 5.149 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.080 -21.565 5.814 1.00 0.00 O ATOM 546 OD2 ASP A 397 8.960 -19.558 5.643 1.00 0.00 O ATOM 0 H ASP A 397 7.861 -22.552 1.512 1.00 0.00 H new ATOM 0 HA ASP A 397 6.712 -22.135 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.998 -20.627 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.625 -19.583 3.405 1.00 0.00 H new ATOM 551 N PRO A 398 4.722 -21.459 2.812 1.00 0.00 N ATOM 552 CA PRO A 398 3.524 -20.984 2.114 1.00 0.00 C ATOM 553 C PRO A 398 3.159 -19.555 2.497 1.00 0.00 C ATOM 554 O PRO A 398 2.002 -19.260 2.797 1.00 0.00 O ATOM 555 CB PRO A 398 2.444 -21.952 2.590 1.00 0.00 C ATOM 556 CG PRO A 398 2.881 -22.362 3.956 1.00 0.00 C ATOM 557 CD PRO A 398 4.389 -22.346 3.942 1.00 0.00 C ATOM 0 HA PRO A 398 3.659 -20.963 1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.465 -21.473 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.362 -22.812 1.925 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.492 -21.678 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.505 -23.355 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.794 -21.967 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.798 -23.346 3.799 1.00 0.00 H new ATOM 565 N ASN A 399 4.150 -18.669 2.492 1.00 0.00 N ATOM 566 CA ASN A 399 3.922 -17.274 2.847 1.00 0.00 C ATOM 567 C ASN A 399 4.281 -16.341 1.696 1.00 0.00 C ATOM 568 O ASN A 399 5.067 -16.690 0.818 1.00 0.00 O ATOM 569 CB ASN A 399 4.734 -16.903 4.089 1.00 0.00 C ATOM 570 CG ASN A 399 4.778 -18.025 5.108 1.00 0.00 C ATOM 571 OD1 ASN A 399 3.818 -18.780 5.258 1.00 0.00 O ATOM 572 ND2 ASN A 399 5.897 -18.140 5.814 1.00 0.00 N ATOM 0 H ASN A 399 5.115 -18.892 2.247 1.00 0.00 H new ATOM 0 HA ASN A 399 2.860 -17.156 3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.751 -16.646 3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.302 -16.014 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 399 5.985 -18.877 6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 399 6.668 -17.492 5.656 1.00 0.00 H new ATOM 579 N SER A 400 3.700 -15.150 1.721 1.00 0.00 N ATOM 580 CA SER A 400 3.942 -14.141 0.697 1.00 0.00 C ATOM 581 C SER A 400 4.169 -12.784 1.350 1.00 0.00 C ATOM 582 O SER A 400 3.611 -12.499 2.409 1.00 0.00 O ATOM 583 CB SER A 400 2.753 -14.058 -0.263 1.00 0.00 C ATOM 584 OG SER A 400 3.090 -13.328 -1.431 1.00 0.00 O ATOM 0 H SER A 400 3.049 -14.855 2.449 1.00 0.00 H new ATOM 0 HA SER A 400 4.831 -14.424 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.433 -15.063 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 400 1.910 -13.581 0.237 1.00 0.00 H new ATOM 0 HG SER A 400 4.012 -13.003 -1.359 1.00 0.00 H new ATOM 590 N ILE A 401 4.977 -11.942 0.719 1.00 0.00 N ATOM 591 CA ILE A 401 5.245 -10.617 1.256 1.00 0.00 C ATOM 592 C ILE A 401 4.850 -9.539 0.256 1.00 0.00 C ATOM 593 O ILE A 401 4.945 -9.736 -0.955 1.00 0.00 O ATOM 594 CB ILE A 401 6.725 -10.432 1.644 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.127 -11.436 2.726 1.00 0.00 C ATOM 596 CG2 ILE A 401 6.958 -9.010 2.132 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.541 -11.952 2.577 1.00 0.00 C ATOM 0 H ILE A 401 5.454 -12.151 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 401 4.642 -10.520 2.159 1.00 0.00 H new ATOM 0 HB ILE A 401 7.342 -10.612 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 401 7.022 -10.966 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.437 -12.279 2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.006 -8.886 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.704 -8.307 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.331 -8.817 3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.757 -12.659 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.646 -12.452 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.240 -11.118 2.631 1.00 0.00 H new ATOM 609 N VAL A 402 4.412 -8.399 0.772 1.00 0.00 N ATOM 610 CA VAL A 402 4.011 -7.294 -0.087 1.00 0.00 C ATOM 611 C VAL A 402 4.338 -5.938 0.522 1.00 0.00 C ATOM 612 O VAL A 402 4.203 -5.732 1.729 1.00 0.00 O ATOM 613 CB VAL A 402 2.513 -7.342 -0.425 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.096 -6.087 -1.176 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.184 -8.590 -1.230 1.00 0.00 C ATOM 0 H VAL A 402 4.326 -8.216 1.772 1.00 0.00 H new ATOM 0 HA VAL A 402 4.588 -7.414 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 402 1.950 -7.384 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.032 -6.138 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.291 -5.211 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.665 -6.011 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.118 -8.605 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.755 -8.585 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.443 -9.476 -0.650 1.00 0.00 H new ATOM 625 N GLU A 403 4.759 -5.016 -0.334 1.00 0.00 N ATOM 626 CA GLU A 403 5.103 -3.665 0.095 1.00 0.00 C ATOM 627 C GLU A 403 4.430 -2.626 -0.798 1.00 0.00 C ATOM 628 O GLU A 403 4.678 -2.573 -1.998 1.00 0.00 O ATOM 629 CB GLU A 403 6.618 -3.473 0.066 1.00 0.00 C ATOM 630 CG GLU A 403 7.396 -4.757 0.287 1.00 0.00 C ATOM 631 CD GLU A 403 8.852 -4.505 0.624 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.122 -3.611 1.454 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.721 -5.200 0.058 1.00 0.00 O ATOM 0 H GLU A 403 4.871 -5.180 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 403 4.745 -3.529 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 403 6.904 -3.046 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 403 6.899 -2.751 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 403 6.933 -5.324 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.336 -5.373 -0.610 1.00 0.00 H new ATOM 640 N CYS A 404 3.575 -1.800 -0.214 1.00 0.00 N ATOM 641 CA CYS A 404 2.885 -0.780 -0.983 1.00 0.00 C ATOM 642 C CYS A 404 3.792 0.415 -1.255 1.00 0.00 C ATOM 643 O CYS A 404 3.922 1.300 -0.411 1.00 0.00 O ATOM 644 CB CYS A 404 1.662 -0.294 -0.210 1.00 0.00 C ATOM 645 SG CYS A 404 0.330 -1.509 -0.076 1.00 0.00 S ATOM 0 H CYS A 404 3.345 -1.816 0.780 1.00 0.00 H new ATOM 0 HA CYS A 404 2.587 -1.223 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 404 1.974 -0.003 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.273 0.601 -0.695 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.278 -1.615 -1.220 1.00 0.00 H new ATOM 651 N ARG A 405 4.424 0.445 -2.424 1.00 0.00 N ATOM 652 CA ARG A 405 5.315 1.547 -2.772 1.00 0.00 C ATOM 653 C ARG A 405 4.548 2.651 -3.491 1.00 0.00 C ATOM 654 O ARG A 405 3.324 2.592 -3.610 1.00 0.00 O ATOM 655 CB ARG A 405 6.473 1.057 -3.647 1.00 0.00 C ATOM 656 CG ARG A 405 6.570 -0.456 -3.746 1.00 0.00 C ATOM 657 CD ARG A 405 7.774 -0.880 -4.571 1.00 0.00 C ATOM 658 NE ARG A 405 7.481 -0.900 -6.002 1.00 0.00 N ATOM 659 CZ ARG A 405 8.419 -0.882 -6.942 1.00 0.00 C ATOM 660 NH1 ARG A 405 9.699 -0.832 -6.599 1.00 0.00 N ATOM 661 NH2 ARG A 405 8.081 -0.912 -8.224 1.00 0.00 N ATOM 0 H ARG A 405 4.337 -0.275 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 405 5.727 1.951 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.359 1.471 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.409 1.446 -3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.643 -0.884 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 405 5.660 -0.852 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.602 -0.197 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.099 -1.871 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 405 6.504 -0.929 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 405 9.962 -0.807 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 405 10.420 -0.818 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 405 7.097 -0.949 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 405 8.805 -0.898 -8.943 1.00 0.00 H new ATOM 675 N VAL A 406 5.270 3.663 -3.965 1.00 0.00 N ATOM 676 CA VAL A 406 4.642 4.779 -4.665 1.00 0.00 C ATOM 677 C VAL A 406 5.618 5.466 -5.618 1.00 0.00 C ATOM 678 O VAL A 406 6.836 5.351 -5.469 1.00 0.00 O ATOM 679 CB VAL A 406 4.077 5.817 -3.673 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.564 5.699 -3.583 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.708 5.649 -2.299 1.00 0.00 C ATOM 0 H VAL A 406 6.284 3.733 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 406 3.821 4.361 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 406 4.325 6.812 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.183 6.439 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.126 5.874 -4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.297 4.700 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.295 6.391 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.495 4.649 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.787 5.786 -2.375 1.00 0.00 H new ATOM 691 N GLY A 407 5.068 6.174 -6.602 1.00 0.00 N ATOM 692 CA GLY A 407 5.889 6.868 -7.580 1.00 0.00 C ATOM 693 C GLY A 407 7.103 7.543 -6.970 1.00 0.00 C ATOM 694 O GLY A 407 8.107 7.753 -7.650 1.00 0.00 O ATOM 0 H GLY A 407 4.063 6.279 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.219 6.157 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.282 7.617 -8.088 1.00 0.00 H new ATOM 698 N ASP A 408 7.015 7.885 -5.689 1.00 0.00 N ATOM 699 CA ASP A 408 8.121 8.540 -4.999 1.00 0.00 C ATOM 700 C ASP A 408 9.255 7.555 -4.719 1.00 0.00 C ATOM 701 O ASP A 408 10.275 7.921 -4.134 1.00 0.00 O ATOM 702 CB ASP A 408 7.639 9.165 -3.689 1.00 0.00 C ATOM 703 CG ASP A 408 7.888 10.660 -3.636 1.00 0.00 C ATOM 704 OD1 ASP A 408 7.139 11.411 -4.296 1.00 0.00 O ATOM 705 OD2 ASP A 408 8.832 11.080 -2.934 1.00 0.00 O ATOM 0 H ASP A 408 6.192 7.720 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 408 8.501 9.327 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.573 8.972 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.146 8.685 -2.852 1.00 0.00 H new ATOM 710 N GLY A 409 9.072 6.306 -5.140 1.00 0.00 N ATOM 711 CA GLY A 409 10.090 5.294 -4.923 1.00 0.00 C ATOM 712 C GLY A 409 10.192 4.878 -3.470 1.00 0.00 C ATOM 713 O GLY A 409 11.034 4.054 -3.109 1.00 0.00 O ATOM 0 H GLY A 409 8.238 5.978 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.865 4.419 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 409 11.055 5.676 -5.257 1.00 0.00 H new ATOM 717 N THR A 410 9.333 5.450 -2.632 1.00 0.00 N ATOM 718 CA THR A 410 9.325 5.141 -1.209 1.00 0.00 C ATOM 719 C THR A 410 8.231 4.138 -0.870 1.00 0.00 C ATOM 720 O THR A 410 7.174 4.115 -1.502 1.00 0.00 O ATOM 721 CB THR A 410 9.107 6.409 -0.363 1.00 0.00 C ATOM 722 OG1 THR A 410 9.229 7.596 -1.157 1.00 0.00 O ATOM 723 CG2 THR A 410 10.110 6.485 0.775 1.00 0.00 C ATOM 0 H THR A 410 8.631 6.133 -2.917 1.00 0.00 H new ATOM 0 HA THR A 410 10.299 4.711 -0.975 1.00 0.00 H new ATOM 0 HB THR A 410 8.096 6.347 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.084 8.384 -0.592 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.933 7.390 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 410 9.997 5.613 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 410 11.121 6.507 0.368 1.00 0.00 H new ATOM 731 N VAL A 411 8.485 3.318 0.143 1.00 0.00 N ATOM 732 CA VAL A 411 7.515 2.322 0.578 1.00 0.00 C ATOM 733 C VAL A 411 6.676 2.864 1.731 1.00 0.00 C ATOM 734 O VAL A 411 7.189 3.101 2.825 1.00 0.00 O ATOM 735 CB VAL A 411 8.204 1.016 1.021 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.191 -0.115 1.121 1.00 0.00 C ATOM 737 CG2 VAL A 411 9.324 0.652 0.058 1.00 0.00 C ATOM 0 H VAL A 411 9.354 3.324 0.678 1.00 0.00 H new ATOM 0 HA VAL A 411 6.871 2.103 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 411 8.639 1.172 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.696 -1.029 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.425 0.146 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.725 -0.274 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.800 -0.272 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 411 8.913 0.514 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.063 1.453 0.039 1.00 0.00 H new ATOM 747 N LEU A 412 5.385 3.066 1.480 1.00 0.00 N ATOM 748 CA LEU A 412 4.489 3.591 2.503 1.00 0.00 C ATOM 749 C LEU A 412 3.899 2.471 3.347 1.00 0.00 C ATOM 750 O LEU A 412 3.709 2.629 4.552 1.00 0.00 O ATOM 751 CB LEU A 412 3.368 4.440 1.884 1.00 0.00 C ATOM 752 CG LEU A 412 2.659 3.848 0.663 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.472 3.001 1.091 1.00 0.00 C ATOM 754 CD2 LEU A 412 2.203 4.960 -0.270 1.00 0.00 C ATOM 0 H LEU A 412 4.939 2.875 0.583 1.00 0.00 H new ATOM 0 HA LEU A 412 5.083 4.234 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.620 4.631 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.788 5.405 1.600 1.00 0.00 H new ATOM 0 HG LEU A 412 3.364 3.209 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 412 0.982 2.589 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 412 1.817 2.186 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 412 0.765 3.619 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.700 4.526 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.513 5.618 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.068 5.533 -0.603 1.00 0.00 H new ATOM 766 N GLY A 413 3.607 1.338 2.719 1.00 0.00 N ATOM 767 CA GLY A 413 3.038 0.229 3.456 1.00 0.00 C ATOM 768 C GLY A 413 3.719 -1.093 3.164 1.00 0.00 C ATOM 769 O GLY A 413 4.463 -1.222 2.195 1.00 0.00 O ATOM 0 H GLY A 413 3.753 1.169 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.106 0.437 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 413 1.978 0.146 3.214 1.00 0.00 H new ATOM 773 N THR A 414 3.458 -2.071 4.019 1.00 0.00 N ATOM 774 CA THR A 414 4.033 -3.402 3.877 1.00 0.00 C ATOM 775 C THR A 414 3.223 -4.405 4.688 1.00 0.00 C ATOM 776 O THR A 414 2.704 -4.066 5.752 1.00 0.00 O ATOM 777 CB THR A 414 5.500 -3.440 4.346 1.00 0.00 C ATOM 778 OG1 THR A 414 6.361 -2.752 3.430 1.00 0.00 O ATOM 779 CG2 THR A 414 5.988 -4.874 4.482 1.00 0.00 C ATOM 0 H THR A 414 2.845 -1.966 4.827 1.00 0.00 H new ATOM 0 HA THR A 414 4.004 -3.663 2.819 1.00 0.00 H new ATOM 0 HB THR A 414 5.535 -2.943 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 414 5.822 -2.197 2.829 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.026 -4.875 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.373 -5.400 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 414 5.915 -5.376 3.517 1.00 0.00 H new ATOM 787 N GLY A 415 3.114 -5.635 4.201 1.00 0.00 N ATOM 788 CA GLY A 415 2.361 -6.640 4.924 1.00 0.00 C ATOM 789 C GLY A 415 2.569 -8.034 4.367 1.00 0.00 C ATOM 790 O GLY A 415 2.684 -8.210 3.153 1.00 0.00 O ATOM 0 H GLY A 415 3.530 -5.952 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.655 -6.624 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.300 -6.392 4.886 1.00 0.00 H new ATOM 794 N VAL A 416 2.604 -9.027 5.247 1.00 0.00 N ATOM 795 CA VAL A 416 2.782 -10.408 4.833 1.00 0.00 C ATOM 796 C VAL A 416 1.440 -11.135 4.848 1.00 0.00 C ATOM 797 O VAL A 416 0.583 -10.854 5.686 1.00 0.00 O ATOM 798 CB VAL A 416 3.788 -11.140 5.754 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.515 -12.635 5.794 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.216 -10.872 5.303 1.00 0.00 C ATOM 0 H VAL A 416 2.511 -8.898 6.255 1.00 0.00 H new ATOM 0 HA VAL A 416 3.183 -10.410 3.819 1.00 0.00 H new ATOM 0 HB VAL A 416 3.661 -10.750 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.239 -13.120 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.508 -12.811 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.602 -13.048 4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.910 -11.394 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.348 -11.228 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.415 -9.801 5.342 1.00 0.00 H new ATOM 810 N GLY A 417 1.265 -12.069 3.922 1.00 0.00 N ATOM 811 CA GLY A 417 0.025 -12.819 3.860 1.00 0.00 C ATOM 812 C GLY A 417 0.199 -14.168 3.194 1.00 0.00 C ATOM 813 O GLY A 417 1.160 -14.380 2.455 1.00 0.00 O ATOM 0 H GLY A 417 1.956 -12.320 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.361 -12.962 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.720 -12.240 3.313 1.00 0.00 H new ATOM 817 N ARG A 418 -0.733 -15.083 3.448 1.00 0.00 N ATOM 818 CA ARG A 418 -0.663 -16.411 2.854 1.00 0.00 C ATOM 819 C ARG A 418 -0.257 -16.300 1.393 1.00 0.00 C ATOM 820 O ARG A 418 0.564 -17.072 0.898 1.00 0.00 O ATOM 821 CB ARG A 418 -2.012 -17.121 2.968 1.00 0.00 C ATOM 822 CG ARG A 418 -3.181 -16.271 2.506 1.00 0.00 C ATOM 823 CD ARG A 418 -4.405 -16.484 3.381 1.00 0.00 C ATOM 824 NE ARG A 418 -5.183 -17.649 2.969 1.00 0.00 N ATOM 825 CZ ARG A 418 -6.082 -18.240 3.749 1.00 0.00 C ATOM 826 NH1 ARG A 418 -6.316 -17.767 4.965 1.00 0.00 N ATOM 827 NH2 ARG A 418 -6.749 -19.301 3.314 1.00 0.00 N ATOM 0 H ARG A 418 -1.538 -14.930 4.056 1.00 0.00 H new ATOM 0 HA ARG A 418 0.083 -16.996 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -1.983 -18.037 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.173 -17.415 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.897 -15.219 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.424 -16.516 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.091 -16.607 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.036 -15.596 3.342 1.00 0.00 H new ATOM 0 HE ARG A 418 -5.029 -18.028 2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -5.806 -16.950 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -7.006 -18.220 5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -6.573 -19.666 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -7.438 -19.752 3.916 1.00 0.00 H new ATOM 841 N ASN A 419 -0.833 -15.315 0.717 1.00 0.00 N ATOM 842 CA ASN A 419 -0.536 -15.064 -0.685 1.00 0.00 C ATOM 843 C ASN A 419 -0.197 -13.593 -0.889 1.00 0.00 C ATOM 844 O ASN A 419 -0.084 -12.833 0.074 1.00 0.00 O ATOM 845 CB ASN A 419 -1.723 -15.454 -1.567 1.00 0.00 C ATOM 846 CG ASN A 419 -1.301 -16.282 -2.765 1.00 0.00 C ATOM 847 OD1 ASN A 419 -0.124 -16.321 -3.124 1.00 0.00 O ATOM 848 ND2 ASN A 419 -2.263 -16.949 -3.392 1.00 0.00 N ATOM 0 H ASN A 419 -1.514 -14.673 1.122 1.00 0.00 H new ATOM 0 HA ASN A 419 0.321 -15.673 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.444 -16.017 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.229 -14.552 -1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -2.039 -17.522 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -3.226 -16.888 -3.060 1.00 0.00 H new ATOM 855 N ILE A 420 -0.034 -13.195 -2.142 1.00 0.00 N ATOM 856 CA ILE A 420 0.294 -11.813 -2.462 1.00 0.00 C ATOM 857 C ILE A 420 -0.861 -10.879 -2.131 1.00 0.00 C ATOM 858 O ILE A 420 -0.688 -9.662 -2.068 1.00 0.00 O ATOM 859 CB ILE A 420 0.660 -11.656 -3.947 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.060 -12.210 -4.193 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.566 -10.196 -4.370 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.057 -13.621 -4.740 1.00 0.00 C ATOM 0 H ILE A 420 -0.123 -13.808 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 420 1.156 -11.544 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 420 -0.049 -12.222 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.584 -11.558 -4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.620 -12.191 -3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.829 -10.105 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.452 -9.838 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.254 -9.599 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.084 -13.954 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.561 -14.285 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.524 -13.642 -5.691 1.00 0.00 H new ATOM 874 N LYS A 421 -2.035 -11.448 -1.923 1.00 0.00 N ATOM 875 CA LYS A 421 -3.197 -10.651 -1.602 1.00 0.00 C ATOM 876 C LYS A 421 -3.218 -10.312 -0.125 1.00 0.00 C ATOM 877 O LYS A 421 -3.227 -9.143 0.252 1.00 0.00 O ATOM 878 CB LYS A 421 -4.466 -11.391 -1.994 1.00 0.00 C ATOM 879 CG LYS A 421 -5.716 -10.743 -1.455 1.00 0.00 C ATOM 880 CD LYS A 421 -5.644 -9.235 -1.592 1.00 0.00 C ATOM 881 CE LYS A 421 -5.636 -8.819 -3.050 1.00 0.00 C ATOM 882 NZ LYS A 421 -7.011 -8.576 -3.567 1.00 0.00 N ATOM 0 H LYS A 421 -2.205 -12.453 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.146 -9.720 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.529 -11.442 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.409 -12.417 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.587 -11.120 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.847 -11.011 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.495 -8.780 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.745 -8.865 -1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.040 -7.914 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.156 -9.595 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.006 -7.742 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.331 -9.406 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.657 -8.410 -2.769 1.00 0.00 H new ATOM 896 N ILE A 422 -3.212 -11.330 0.711 1.00 0.00 N ATOM 897 CA ILE A 422 -3.222 -11.110 2.144 1.00 0.00 C ATOM 898 C ILE A 422 -2.076 -10.206 2.540 1.00 0.00 C ATOM 899 O ILE A 422 -2.213 -9.362 3.425 1.00 0.00 O ATOM 900 CB ILE A 422 -3.143 -12.427 2.917 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.382 -13.280 2.631 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.007 -12.154 4.407 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.589 -12.490 2.142 1.00 0.00 C ATOM 0 H ILE A 422 -3.200 -12.310 0.427 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.166 -10.630 2.400 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.262 -12.979 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.127 -14.031 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.657 -13.816 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -2.952 -13.099 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.100 -11.578 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.872 -11.588 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.421 -13.171 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.875 -11.757 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.336 -11.976 1.215 1.00 0.00 H new ATOM 915 N ALA A 423 -0.955 -10.358 1.851 1.00 0.00 N ATOM 916 CA ALA A 423 0.189 -9.514 2.112 1.00 0.00 C ATOM 917 C ALA A 423 -0.153 -8.104 1.656 1.00 0.00 C ATOM 918 O ALA A 423 -0.066 -7.145 2.423 1.00 0.00 O ATOM 919 CB ALA A 423 1.433 -10.030 1.404 1.00 0.00 C ATOM 0 H ALA A 423 -0.818 -11.052 1.116 1.00 0.00 H new ATOM 0 HA ALA A 423 0.413 -9.519 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.275 -9.372 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.660 -11.037 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.257 -10.051 0.328 1.00 0.00 H new ATOM 925 N GLY A 424 -0.573 -8.003 0.395 1.00 0.00 N ATOM 926 CA GLY A 424 -0.964 -6.724 -0.162 1.00 0.00 C ATOM 927 C GLY A 424 -2.017 -6.051 0.691 1.00 0.00 C ATOM 928 O GLY A 424 -1.903 -4.867 1.009 1.00 0.00 O ATOM 0 H GLY A 424 -0.648 -8.790 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.090 -6.077 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.348 -6.867 -1.172 1.00 0.00 H new ATOM 932 N ILE A 425 -3.032 -6.816 1.092 1.00 0.00 N ATOM 933 CA ILE A 425 -4.081 -6.281 1.945 1.00 0.00 C ATOM 934 C ILE A 425 -3.455 -5.705 3.207 1.00 0.00 C ATOM 935 O ILE A 425 -3.570 -4.516 3.496 1.00 0.00 O ATOM 936 CB ILE A 425 -5.101 -7.361 2.360 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.811 -7.936 1.135 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.110 -6.780 3.338 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.104 -9.413 1.252 1.00 0.00 C ATOM 0 H ILE A 425 -3.146 -7.798 0.841 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.606 -5.514 1.376 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.564 -8.173 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.746 -7.398 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.195 -7.764 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.825 -7.551 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.590 -6.420 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.639 -5.952 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.609 -9.757 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.170 -9.961 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.746 -9.589 2.115 1.00 0.00 H new ATOM 951 N ARG A 426 -2.793 -6.584 3.951 1.00 0.00 N ATOM 952 CA ARG A 426 -2.132 -6.210 5.195 1.00 0.00 C ATOM 953 C ARG A 426 -1.230 -4.991 5.011 1.00 0.00 C ATOM 954 O ARG A 426 -1.162 -4.131 5.884 1.00 0.00 O ATOM 955 CB ARG A 426 -1.325 -7.390 5.726 1.00 0.00 C ATOM 956 CG ARG A 426 -1.575 -7.686 7.194 1.00 0.00 C ATOM 957 CD ARG A 426 -0.381 -8.374 7.834 1.00 0.00 C ATOM 958 NE ARG A 426 -0.212 -7.991 9.233 1.00 0.00 N ATOM 959 CZ ARG A 426 0.715 -8.510 10.029 1.00 0.00 C ATOM 960 NH1 ARG A 426 1.535 -9.446 9.571 1.00 0.00 N ATOM 961 NH2 ARG A 426 0.821 -8.099 11.285 1.00 0.00 N ATOM 0 H ARG A 426 -2.700 -7.571 3.710 1.00 0.00 H new ATOM 0 HA ARG A 426 -2.902 -5.941 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.565 -8.277 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.264 -7.189 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -1.787 -6.757 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -2.457 -8.318 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 426 -0.507 -9.455 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 426 0.522 -8.123 7.278 1.00 0.00 H new ATOM 0 HE ARG A 426 -0.840 -7.287 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 426 1.454 -9.768 8.606 1.00 0.00 H new ATOM 0 HH12 ARG A 426 2.247 -9.844 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 426 0.189 -7.382 11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 426 1.534 -8.500 11.894 1.00 0.00 H new ATOM 975 N ALA A 427 -0.542 -4.920 3.875 1.00 0.00 N ATOM 976 CA ALA A 427 0.346 -3.793 3.590 1.00 0.00 C ATOM 977 C ALA A 427 -0.470 -2.529 3.333 1.00 0.00 C ATOM 978 O ALA A 427 -0.332 -1.526 4.030 1.00 0.00 O ATOM 979 CB ALA A 427 1.244 -4.094 2.398 1.00 0.00 C ATOM 0 H ALA A 427 -0.581 -5.625 3.139 1.00 0.00 H new ATOM 0 HA ALA A 427 0.981 -3.632 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.894 -3.240 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.852 -4.972 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.629 -4.285 1.518 1.00 0.00 H new ATOM 985 N ALA A 428 -1.324 -2.589 2.325 1.00 0.00 N ATOM 986 CA ALA A 428 -2.160 -1.450 1.989 1.00 0.00 C ATOM 987 C ALA A 428 -2.701 -0.864 3.280 1.00 0.00 C ATOM 988 O ALA A 428 -2.577 0.329 3.548 1.00 0.00 O ATOM 989 CB ALA A 428 -3.297 -1.853 1.065 1.00 0.00 C ATOM 0 H ALA A 428 -1.456 -3.407 1.730 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.567 -0.706 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.904 -0.978 0.832 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.888 -2.266 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.916 -2.604 1.556 1.00 0.00 H new ATOM 995 N GLU A 429 -3.276 -1.749 4.078 1.00 0.00 N ATOM 996 CA GLU A 429 -3.836 -1.411 5.375 1.00 0.00 C ATOM 997 C GLU A 429 -2.742 -1.000 6.351 1.00 0.00 C ATOM 998 O GLU A 429 -2.960 -0.186 7.245 1.00 0.00 O ATOM 999 CB GLU A 429 -4.559 -2.632 5.911 1.00 0.00 C ATOM 1000 CG GLU A 429 -6.002 -2.366 6.303 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.155 -2.007 7.768 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.599 -2.733 8.618 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.830 -0.999 8.064 1.00 0.00 O ATOM 0 H GLU A 429 -3.368 -2.736 3.839 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.522 -0.571 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.536 -3.417 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -4.020 -3.010 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.396 -1.554 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.602 -3.250 6.085 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.564 -1.572 6.157 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.426 -1.264 7.009 1.00 0.00 C ATOM 1012 C ASN A 430 -0.139 0.218 6.901 1.00 0.00 C ATOM 1013 O ASN A 430 -0.172 0.945 7.895 1.00 0.00 O ATOM 1014 CB ASN A 430 0.792 -2.081 6.606 1.00 0.00 C ATOM 1015 CG ASN A 430 2.081 -1.523 7.177 1.00 0.00 C ATOM 1016 OD1 ASN A 430 3.150 -1.665 6.585 1.00 0.00 O ATOM 1017 ND2 ASN A 430 1.986 -0.881 8.338 1.00 0.00 N ATOM 0 H ASN A 430 -1.371 -2.250 5.420 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.659 -1.522 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.664 -3.109 6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.863 -2.110 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 430 2.820 -0.484 8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 430 1.079 -0.786 8.795 1.00 0.00 H new ATOM 1024 N ALA A 431 0.080 0.669 5.677 1.00 0.00 N ATOM 1025 CA ALA A 431 0.298 2.077 5.433 1.00 0.00 C ATOM 1026 C ALA A 431 -0.961 2.804 5.856 1.00 0.00 C ATOM 1027 O ALA A 431 -0.916 3.847 6.507 1.00 0.00 O ATOM 1028 CB ALA A 431 0.615 2.345 3.969 1.00 0.00 C ATOM 0 H ALA A 431 0.111 0.081 4.844 1.00 0.00 H new ATOM 0 HA ALA A 431 1.157 2.430 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 431 0.773 3.413 3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.517 1.802 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 431 -0.218 2.012 3.350 1.00 0.00 H new ATOM 1034 N LEU A 432 -2.097 2.211 5.494 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.403 2.749 5.837 1.00 0.00 C ATOM 1036 C LEU A 432 -3.486 3.067 7.317 1.00 0.00 C ATOM 1037 O LEU A 432 -3.902 4.154 7.717 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.466 1.709 5.502 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.835 2.258 5.134 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.434 1.417 4.024 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.750 2.274 6.351 1.00 0.00 C ATOM 0 H LEU A 432 -2.133 1.345 4.956 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.562 3.666 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.104 1.101 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.580 1.044 6.358 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.727 3.284 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.416 1.810 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -5.783 1.450 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.535 0.386 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.725 2.670 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.867 1.259 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.314 2.904 7.126 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.096 2.091 8.123 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.130 2.227 9.567 1.00 0.00 C ATOM 1055 C ARG A 433 -2.288 3.411 10.028 1.00 0.00 C ATOM 1056 O ARG A 433 -2.408 3.866 11.165 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.656 0.929 10.210 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.660 -0.201 10.058 1.00 0.00 C ATOM 1059 CD ARG A 433 -2.971 -1.537 9.862 1.00 0.00 C ATOM 1060 NE ARG A 433 -2.561 -2.128 11.132 1.00 0.00 N ATOM 1061 CZ ARG A 433 -1.609 -3.046 11.245 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -0.984 -3.491 10.165 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -1.283 -3.520 12.439 1.00 0.00 N ATOM 0 H ARG A 433 -2.750 1.189 7.795 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.156 2.422 9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.709 0.631 9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.466 1.101 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -4.296 -0.245 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -4.311 0.002 9.207 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -3.644 -2.220 9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -2.097 -1.405 9.224 1.00 0.00 H new ATOM 0 HE ARG A 433 -3.033 -1.818 11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -1.234 -3.128 9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -0.253 -4.196 10.253 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -1.764 -3.179 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -0.551 -4.225 12.525 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.455 3.921 9.128 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.615 5.068 9.428 1.00 0.00 C ATOM 1079 C ASP A 434 -1.228 6.330 8.819 1.00 0.00 C ATOM 1080 O ASP A 434 -1.229 6.509 7.602 1.00 0.00 O ATOM 1081 CB ASP A 434 0.801 4.845 8.896 1.00 0.00 C ATOM 1082 CG ASP A 434 1.692 4.139 9.902 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.282 4.012 11.074 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.800 3.712 9.514 1.00 0.00 O ATOM 0 H ASP A 434 -1.345 3.555 8.182 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.555 5.193 10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.754 4.256 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.244 5.806 8.634 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.751 7.195 9.680 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.374 8.442 9.232 1.00 0.00 C ATOM 1091 C LYS A 435 -1.317 9.420 8.741 1.00 0.00 C ATOM 1092 O LYS A 435 -1.410 9.944 7.633 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.202 9.078 10.353 1.00 0.00 C ATOM 1094 CG LYS A 435 -2.570 8.960 11.730 1.00 0.00 C ATOM 1095 CD LYS A 435 -3.429 8.124 12.666 1.00 0.00 C ATOM 1096 CE LYS A 435 -3.982 6.893 11.966 1.00 0.00 C ATOM 1097 NZ LYS A 435 -3.704 5.647 12.732 1.00 0.00 N ATOM 0 H LYS A 435 -1.758 7.059 10.691 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.044 8.204 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.356 10.133 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -4.186 8.610 10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -1.582 8.509 11.641 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.429 9.954 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.837 7.818 13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -4.253 8.730 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -5.058 7.004 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -3.543 6.813 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -3.478 4.876 12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.897 5.804 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.542 5.389 13.291 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.338 9.686 9.594 1.00 0.00 N ATOM 1112 CA LYS A 436 0.719 10.634 9.268 1.00 0.00 C ATOM 1113 C LYS A 436 1.066 10.529 7.793 1.00 0.00 C ATOM 1114 O LYS A 436 1.077 11.530 7.080 1.00 0.00 O ATOM 1115 CB LYS A 436 1.959 10.368 10.124 1.00 0.00 C ATOM 1116 CG LYS A 436 2.253 11.466 11.132 1.00 0.00 C ATOM 1117 CD LYS A 436 1.981 11.002 12.555 1.00 0.00 C ATOM 1118 CE LYS A 436 2.843 11.750 13.559 1.00 0.00 C ATOM 1119 NZ LYS A 436 2.556 13.211 13.557 1.00 0.00 N ATOM 0 H LYS A 436 -0.253 9.259 10.517 1.00 0.00 H new ATOM 0 HA LYS A 436 0.365 11.643 9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.827 9.425 10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.822 10.247 9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 436 3.294 11.775 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 436 1.640 12.340 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 436 0.928 11.154 12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 436 2.175 9.932 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 436 2.670 11.347 14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 436 3.895 11.586 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.140 13.680 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 2.777 13.607 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 1.550 13.367 13.770 1.00 0.00 H new ATOM 1133 N MET A 437 1.322 9.315 7.332 1.00 0.00 N ATOM 1134 CA MET A 437 1.634 9.095 5.933 1.00 0.00 C ATOM 1135 C MET A 437 0.433 9.466 5.069 1.00 0.00 C ATOM 1136 O MET A 437 0.563 10.229 4.112 1.00 0.00 O ATOM 1137 CB MET A 437 2.034 7.643 5.693 1.00 0.00 C ATOM 1138 CG MET A 437 0.965 6.637 6.073 1.00 0.00 C ATOM 1139 SD MET A 437 1.458 4.942 5.710 1.00 0.00 S ATOM 1140 CE MET A 437 3.205 5.010 6.104 1.00 0.00 C ATOM 0 H MET A 437 1.319 8.471 7.905 1.00 0.00 H new ATOM 0 HA MET A 437 2.477 9.729 5.659 1.00 0.00 H new ATOM 0 HB2 MET A 437 2.281 7.515 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 437 2.939 7.428 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 437 0.745 6.729 7.137 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.045 6.868 5.536 1.00 0.00 H new ATOM 0 HE1 MET A 437 3.546 4.023 6.415 1.00 0.00 H new ATOM 0 HE2 MET A 437 3.764 5.327 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 437 3.368 5.722 6.913 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.744 8.951 5.426 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.959 9.271 4.689 1.00 0.00 C ATOM 1152 C LEU A 438 -2.004 10.775 4.465 1.00 0.00 C ATOM 1153 O LEU A 438 -1.958 11.260 3.333 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.188 8.845 5.498 1.00 0.00 C ATOM 1155 CG LEU A 438 -3.650 7.388 5.345 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -2.558 6.498 4.765 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -4.114 6.848 6.691 1.00 0.00 C ATOM 0 H LEU A 438 -0.878 8.317 6.214 1.00 0.00 H new ATOM 0 HA LEU A 438 -1.961 8.743 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.979 9.026 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.018 9.495 5.221 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.482 7.377 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -2.930 5.477 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.272 6.868 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -1.690 6.511 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.440 5.814 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -3.290 6.891 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.944 7.452 7.059 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.083 11.498 5.576 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.125 12.954 5.572 1.00 0.00 C ATOM 1171 C ASP A 439 -0.875 13.531 4.925 1.00 0.00 C ATOM 1172 O ASP A 439 -0.868 14.669 4.471 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.227 13.464 7.009 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.300 14.520 7.179 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -3.085 15.662 6.720 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -4.353 14.207 7.769 1.00 0.00 O ATOM 0 H ASP A 439 -2.120 11.088 6.509 1.00 0.00 H new ATOM 0 HA ASP A 439 -2.995 13.272 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.439 12.626 7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.265 13.877 7.313 1.00 0.00 H new ATOM 1181 N PHE A 440 0.173 12.730 4.878 1.00 0.00 N ATOM 1182 CA PHE A 440 1.425 13.158 4.280 1.00 0.00 C ATOM 1183 C PHE A 440 1.276 13.200 2.770 1.00 0.00 C ATOM 1184 O PHE A 440 1.475 14.239 2.142 1.00 0.00 O ATOM 1185 CB PHE A 440 2.568 12.227 4.684 1.00 0.00 C ATOM 1186 CG PHE A 440 3.922 12.707 4.244 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.290 12.658 2.910 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.828 13.204 5.168 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.535 13.096 2.503 1.00 0.00 C ATOM 1190 CE2 PHE A 440 6.075 13.644 4.767 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.429 13.590 3.433 1.00 0.00 C ATOM 0 H PHE A 440 0.183 11.779 5.247 1.00 0.00 H new ATOM 0 HA PHE A 440 1.667 14.157 4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.567 12.114 5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.387 11.239 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.595 12.273 2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.556 13.248 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.809 13.052 1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.772 14.030 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.403 13.933 3.118 1.00 0.00 H new ATOM 1201 N TYR A 441 0.905 12.065 2.194 1.00 0.00 N ATOM 1202 CA TYR A 441 0.707 11.976 0.766 1.00 0.00 C ATOM 1203 C TYR A 441 -0.387 12.932 0.334 1.00 0.00 C ATOM 1204 O TYR A 441 -0.187 13.752 -0.561 1.00 0.00 O ATOM 1205 CB TYR A 441 0.367 10.547 0.371 1.00 0.00 C ATOM 1206 CG TYR A 441 1.545 9.613 0.483 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.814 10.012 0.080 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.386 8.337 0.984 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.893 9.156 0.178 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.456 7.474 1.085 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.710 7.886 0.680 1.00 0.00 C ATOM 1212 OH TYR A 441 4.782 7.029 0.778 1.00 0.00 O ATOM 0 H TYR A 441 0.737 11.196 2.700 1.00 0.00 H new ATOM 0 HA TYR A 441 1.630 12.258 0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.441 10.182 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.003 10.537 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.958 11.006 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.407 8.009 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.874 9.480 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.314 6.479 1.480 1.00 0.00 H new ATOM 0 HH TYR A 441 5.111 7.020 1.701 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.540 12.853 0.990 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.625 13.759 0.659 1.00 0.00 C ATOM 1224 C ALA A 442 -2.068 15.176 0.686 1.00 0.00 C ATOM 1225 O ALA A 442 -2.014 15.860 -0.334 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.791 13.616 1.629 1.00 0.00 C ATOM 0 H ALA A 442 -1.742 12.187 1.736 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.015 13.521 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.584 14.310 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.172 12.595 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.452 13.840 2.640 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.641 15.600 1.873 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.073 16.926 2.049 1.00 0.00 C ATOM 1234 C LYS A 443 -0.119 17.213 0.908 1.00 0.00 C ATOM 1235 O LYS A 443 -0.049 18.332 0.394 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.316 17.007 3.368 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.212 17.158 4.582 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.527 18.616 4.868 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.867 19.022 4.275 1.00 0.00 C ATOM 1240 NZ LYS A 443 -3.820 19.486 5.320 1.00 0.00 N ATOM 0 H LYS A 443 -1.679 15.041 2.725 1.00 0.00 H new ATOM 0 HA LYS A 443 -1.879 17.660 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.289 16.108 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.372 17.851 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.140 16.610 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.726 16.713 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -1.539 18.782 5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.739 19.247 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.715 19.816 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.299 18.176 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -4.721 19.753 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.986 18.720 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -3.420 20.310 5.813 1.00 0.00 H new ATOM 1254 N GLN A 444 0.567 16.174 0.461 1.00 0.00 N ATOM 1255 CA GLN A 444 1.450 16.328 -0.673 1.00 0.00 C ATOM 1256 C GLN A 444 0.604 16.897 -1.797 1.00 0.00 C ATOM 1257 O GLN A 444 0.830 18.009 -2.275 1.00 0.00 O ATOM 1258 CB GLN A 444 2.074 14.989 -1.070 1.00 0.00 C ATOM 1259 CG GLN A 444 3.416 15.132 -1.767 1.00 0.00 C ATOM 1260 CD GLN A 444 3.397 14.602 -3.186 1.00 0.00 C ATOM 1261 OE1 GLN A 444 2.359 14.169 -3.685 1.00 0.00 O ATOM 1262 NE2 GLN A 444 4.550 14.634 -3.843 1.00 0.00 N ATOM 0 H GLN A 444 0.529 15.236 0.859 1.00 0.00 H new ATOM 0 HA GLN A 444 2.282 16.992 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.200 14.376 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.386 14.457 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.704 16.183 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.176 14.600 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 444 5.386 15.002 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 444 4.600 14.291 -4.802 1.00 0.00 H new