USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 305 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 Single : A 384 SER OG : rot -35:sc= 0.258 USER MOD Single : A 390 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.088) USER MOD Single : A 391 LYS NZ :NH3+ -174:sc= 1.4 (180deg=1.25) USER MOD Single : A 393 THR OG1 : rot -49:sc= 0.774 USER MOD Single : A 397 LYS NZ :NH3+ 159:sc= 0.689 (180deg=0.21) USER MOD Single : A 399 SER OG : rot 69:sc= 0.737 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= 0.311 K(o=0.31,f=-2.9!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ -169:sc=-0.00558 (180deg=-0.101) USER MOD Single : A 415 LYS NZ :NH3+ -111:sc= 1.27 (180deg=-0.689) USER MOD Single : A 416 ASN : amide:sc= 0.0117 K(o=0.012,f=-1.7!) USER MOD Single : A 418 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.25) USER MOD Single : A 420 ASN : amide:sc= -3.43! C(o=-3.4!,f=-8.8!) USER MOD Single : A 421 SER OG : rot 20:sc= 0.611 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.643 11.346 -0.907 1.00 0.00 N ATOM 33 CA SER A 384 -6.373 10.213 -1.775 1.00 0.00 C ATOM 34 C SER A 384 -5.889 9.013 -0.963 1.00 0.00 C ATOM 35 O SER A 384 -5.017 9.145 -0.103 1.00 0.00 O ATOM 36 CB SER A 384 -5.336 10.597 -2.829 1.00 0.00 C ATOM 37 OG SER A 384 -4.233 11.267 -2.245 1.00 0.00 O ATOM 0 HA SER A 384 -7.299 9.932 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.989 9.701 -3.344 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.798 11.238 -3.580 1.00 0.00 H new ATOM 0 HG SER A 384 -4.545 11.826 -1.503 1.00 0.00 H new ATOM 43 N PRO A 385 -6.454 7.824 -1.222 1.00 0.00 N ATOM 44 CA PRO A 385 -6.070 6.593 -0.525 1.00 0.00 C ATOM 45 C PRO A 385 -4.596 6.255 -0.738 1.00 0.00 C ATOM 46 O PRO A 385 -3.958 5.653 0.127 1.00 0.00 O ATOM 47 CB PRO A 385 -6.969 5.519 -1.147 1.00 0.00 C ATOM 48 CG PRO A 385 -8.086 6.268 -1.788 1.00 0.00 C ATOM 49 CD PRO A 385 -7.509 7.582 -2.220 1.00 0.00 C ATOM 0 HA PRO A 385 -6.193 6.680 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.423 4.924 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.341 4.830 -0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.486 5.718 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.909 6.415 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.105 7.532 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.259 8.373 -2.215 1.00 0.00 H new ATOM 57 N GLU A 386 -4.049 6.693 -1.874 1.00 0.00 N ATOM 58 CA GLU A 386 -2.632 6.504 -2.178 1.00 0.00 C ATOM 59 C GLU A 386 -1.767 7.106 -1.077 1.00 0.00 C ATOM 60 O GLU A 386 -0.833 6.472 -0.579 1.00 0.00 O ATOM 61 CB GLU A 386 -2.285 7.169 -3.513 1.00 0.00 C ATOM 62 CG GLU A 386 -0.822 7.034 -3.899 1.00 0.00 C ATOM 63 CD GLU A 386 -0.437 7.912 -5.072 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.299 8.673 -5.567 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.732 7.861 -5.497 1.00 0.00 O ATOM 0 H GLU A 386 -4.570 7.183 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.436 5.434 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.901 6.731 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.542 8.227 -3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.200 7.290 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.611 5.994 -4.146 1.00 0.00 H new ATOM 72 N ALA A 387 -2.126 8.319 -0.683 1.00 0.00 N ATOM 73 CA ALA A 387 -1.418 9.046 0.356 1.00 0.00 C ATOM 74 C ALA A 387 -1.454 8.294 1.680 1.00 0.00 C ATOM 75 O ALA A 387 -0.513 8.357 2.469 1.00 0.00 O ATOM 76 CB ALA A 387 -2.017 10.436 0.512 1.00 0.00 C ATOM 0 H ALA A 387 -2.918 8.826 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.373 9.139 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.482 10.977 1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.930 10.978 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.069 10.350 0.785 1.00 0.00 H new ATOM 82 N GLU A 388 -2.550 7.586 1.924 1.00 0.00 N ATOM 83 CA GLU A 388 -2.690 6.812 3.146 1.00 0.00 C ATOM 84 C GLU A 388 -1.800 5.576 3.110 1.00 0.00 C ATOM 85 O GLU A 388 -0.985 5.374 4.005 1.00 0.00 O ATOM 86 CB GLU A 388 -4.147 6.403 3.366 1.00 0.00 C ATOM 87 CG GLU A 388 -5.108 7.577 3.528 1.00 0.00 C ATOM 88 CD GLU A 388 -4.805 8.448 4.735 1.00 0.00 C ATOM 89 OE1 GLU A 388 -3.702 8.340 5.309 1.00 0.00 O ATOM 90 OE2 GLU A 388 -5.669 9.268 5.106 1.00 0.00 O ATOM 0 H GLU A 388 -3.350 7.533 1.294 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.376 7.442 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.473 5.795 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.206 5.774 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.072 8.192 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.125 7.194 3.613 1.00 0.00 H new ATOM 97 N CYS A 389 -1.934 4.779 2.050 1.00 0.00 N ATOM 98 CA CYS A 389 -1.146 3.563 1.884 1.00 0.00 C ATOM 99 C CYS A 389 0.351 3.848 1.957 1.00 0.00 C ATOM 100 O CYS A 389 1.115 3.046 2.487 1.00 0.00 O ATOM 101 CB CYS A 389 -1.481 2.907 0.544 1.00 0.00 C ATOM 102 SG CYS A 389 -3.235 2.455 0.351 1.00 0.00 S ATOM 0 H CYS A 389 -2.588 4.958 1.288 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.400 2.887 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.202 3.588 -0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.872 2.011 0.429 1.00 0.00 H new ATOM 107 N ASN A 390 0.770 4.987 1.417 1.00 0.00 N ATOM 108 CA ASN A 390 2.186 5.351 1.395 1.00 0.00 C ATOM 109 C ASN A 390 2.782 5.444 2.799 1.00 0.00 C ATOM 110 O ASN A 390 3.991 5.285 2.969 1.00 0.00 O ATOM 111 CB ASN A 390 2.404 6.674 0.660 1.00 0.00 C ATOM 112 CG ASN A 390 2.358 6.540 -0.853 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.400 7.539 -1.571 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.296 5.313 -1.353 1.00 0.00 N ATOM 0 H ASN A 390 0.151 5.675 0.988 1.00 0.00 H new ATOM 0 HA ASN A 390 2.700 4.552 0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.643 7.387 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.369 7.088 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.282 5.174 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.263 4.508 -0.727 1.00 0.00 H new ATOM 121 N LYS A 391 1.946 5.728 3.792 1.00 0.00 N ATOM 122 CA LYS A 391 2.410 5.835 5.174 1.00 0.00 C ATOM 123 C LYS A 391 2.857 4.475 5.699 1.00 0.00 C ATOM 124 O LYS A 391 3.840 4.369 6.436 1.00 0.00 O ATOM 125 CB LYS A 391 1.309 6.402 6.071 1.00 0.00 C ATOM 126 CG LYS A 391 0.852 7.794 5.670 1.00 0.00 C ATOM 127 CD LYS A 391 -0.199 8.324 6.630 1.00 0.00 C ATOM 128 CE LYS A 391 -0.672 9.709 6.230 1.00 0.00 C ATOM 129 NZ LYS A 391 -1.429 9.693 4.950 1.00 0.00 N ATOM 0 H LYS A 391 0.946 5.888 3.668 1.00 0.00 H new ATOM 0 HA LYS A 391 3.262 6.515 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.453 5.728 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.669 6.429 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.707 8.470 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.446 7.769 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.048 7.641 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 391 0.212 8.356 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.303 10.118 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.188 10.372 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -1.645 10.669 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -0.856 9.234 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.316 9.165 5.078 1.00 0.00 H new ATOM 143 N ILE A 392 2.130 3.442 5.307 1.00 0.00 N ATOM 144 CA ILE A 392 2.434 2.075 5.701 1.00 0.00 C ATOM 145 C ILE A 392 3.786 1.654 5.124 1.00 0.00 C ATOM 146 O ILE A 392 4.121 2.008 3.994 1.00 0.00 O ATOM 147 CB ILE A 392 1.343 1.085 5.209 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.032 1.379 5.830 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.744 -0.347 5.524 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.679 2.673 5.389 1.00 0.00 C ATOM 0 H ILE A 392 1.311 3.527 4.705 1.00 0.00 H new ATOM 0 HA ILE A 392 2.465 2.045 6.790 1.00 0.00 H new ATOM 0 HB ILE A 392 1.260 1.217 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.704 0.556 5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 392 0.074 1.397 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.969 -1.028 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.685 -0.580 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.867 -0.462 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.643 2.785 5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.035 3.511 5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.826 2.657 4.309 1.00 0.00 H new ATOM 162 N THR A 393 4.583 0.946 5.909 1.00 0.00 N ATOM 163 CA THR A 393 5.904 0.541 5.461 1.00 0.00 C ATOM 164 C THR A 393 6.190 -0.915 5.836 1.00 0.00 C ATOM 165 O THR A 393 7.347 -1.327 5.959 1.00 0.00 O ATOM 166 CB THR A 393 6.988 1.473 6.053 1.00 0.00 C ATOM 167 OG1 THR A 393 8.270 1.158 5.499 1.00 0.00 O ATOM 168 CG2 THR A 393 7.039 1.357 7.571 1.00 0.00 C ATOM 0 H THR A 393 4.340 0.642 6.852 1.00 0.00 H new ATOM 0 HA THR A 393 5.930 0.622 4.374 1.00 0.00 H new ATOM 0 HB THR A 393 6.727 2.499 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.424 0.192 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.809 2.022 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.072 1.636 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 393 7.272 0.329 7.850 1.00 0.00 H new ATOM 176 N GLU A 394 5.128 -1.707 5.950 1.00 0.00 N ATOM 177 CA GLU A 394 5.255 -3.123 6.262 1.00 0.00 C ATOM 178 C GLU A 394 4.213 -3.925 5.491 1.00 0.00 C ATOM 179 O GLU A 394 3.042 -3.550 5.456 1.00 0.00 O ATOM 180 CB GLU A 394 5.059 -3.358 7.760 1.00 0.00 C ATOM 181 CG GLU A 394 5.970 -2.521 8.646 1.00 0.00 C ATOM 182 CD GLU A 394 5.758 -2.795 10.119 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.178 -3.842 10.458 1.00 0.00 O ATOM 184 OE2 GLU A 394 6.169 -1.960 10.950 1.00 0.00 O ATOM 0 H GLU A 394 4.167 -1.388 5.830 1.00 0.00 H new ATOM 0 HA GLU A 394 6.254 -3.449 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 394 4.022 -3.143 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 394 5.229 -4.413 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 394 7.009 -2.724 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.793 -1.464 8.447 1.00 0.00 H new ATOM 191 N GLU A 395 4.650 -5.007 4.856 1.00 0.00 N ATOM 192 CA GLU A 395 3.772 -5.867 4.070 1.00 0.00 C ATOM 193 C GLU A 395 2.579 -6.379 4.893 1.00 0.00 C ATOM 194 O GLU A 395 1.440 -6.195 4.477 1.00 0.00 O ATOM 195 CB GLU A 395 4.597 -7.016 3.460 1.00 0.00 C ATOM 196 CG GLU A 395 3.809 -8.172 2.838 1.00 0.00 C ATOM 197 CD GLU A 395 2.756 -7.771 1.817 1.00 0.00 C ATOM 198 OE1 GLU A 395 2.261 -6.631 1.856 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.380 -8.636 0.996 1.00 0.00 O ATOM 0 H GLU A 395 5.623 -5.313 4.871 1.00 0.00 H new ATOM 0 HA GLU A 395 3.340 -5.281 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.249 -6.597 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.241 -7.423 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.513 -8.853 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.321 -8.728 3.638 1.00 0.00 H new ATOM 206 N PRO A 396 2.790 -6.975 6.090 1.00 0.00 N ATOM 207 CA PRO A 396 1.676 -7.450 6.924 1.00 0.00 C ATOM 208 C PRO A 396 0.633 -6.357 7.189 1.00 0.00 C ATOM 209 O PRO A 396 -0.573 -6.597 7.103 1.00 0.00 O ATOM 210 CB PRO A 396 2.359 -7.872 8.228 1.00 0.00 C ATOM 211 CG PRO A 396 3.756 -8.193 7.830 1.00 0.00 C ATOM 212 CD PRO A 396 4.096 -7.221 6.736 1.00 0.00 C ATOM 0 HA PRO A 396 1.122 -8.254 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.331 -7.072 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.865 -8.735 8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.438 -8.088 8.674 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.838 -9.222 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.529 -6.303 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.820 -7.638 6.036 1.00 0.00 H new ATOM 220 N LYS A 397 1.108 -5.147 7.450 1.00 0.00 N ATOM 221 CA LYS A 397 0.224 -4.013 7.685 1.00 0.00 C ATOM 222 C LYS A 397 -0.433 -3.544 6.390 1.00 0.00 C ATOM 223 O LYS A 397 -1.626 -3.263 6.358 1.00 0.00 O ATOM 224 CB LYS A 397 0.997 -2.869 8.339 1.00 0.00 C ATOM 225 CG LYS A 397 1.462 -3.195 9.749 1.00 0.00 C ATOM 226 CD LYS A 397 2.298 -2.075 10.341 1.00 0.00 C ATOM 227 CE LYS A 397 2.716 -2.394 11.769 1.00 0.00 C ATOM 228 NZ LYS A 397 3.746 -1.447 12.275 1.00 0.00 N ATOM 0 H LYS A 397 2.102 -4.925 7.504 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.568 -4.336 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.863 -2.625 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.366 -1.981 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.595 -3.376 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.045 -4.116 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 397 3.184 -1.916 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.729 -1.146 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.842 -2.359 12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 397 3.106 -3.411 11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.747 -1.458 13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 4.683 -1.733 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.529 -0.487 11.940 1.00 0.00 H new ATOM 242 N CYS A 398 0.349 -3.470 5.322 1.00 0.00 N ATOM 243 CA CYS A 398 -0.163 -3.032 4.025 1.00 0.00 C ATOM 244 C CYS A 398 -1.195 -4.022 3.498 1.00 0.00 C ATOM 245 O CYS A 398 -2.179 -3.638 2.868 1.00 0.00 O ATOM 246 CB CYS A 398 0.983 -2.879 3.019 1.00 0.00 C ATOM 247 SG CYS A 398 0.539 -1.948 1.518 1.00 0.00 S ATOM 0 H CYS A 398 1.341 -3.707 5.325 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.643 -2.062 4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.818 -2.379 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.331 -3.870 2.729 1.00 0.00 H new ATOM 252 N SER A 399 -0.961 -5.297 3.775 1.00 0.00 N ATOM 253 CA SER A 399 -1.854 -6.360 3.355 1.00 0.00 C ATOM 254 C SER A 399 -3.232 -6.216 4.000 1.00 0.00 C ATOM 255 O SER A 399 -4.254 -6.398 3.338 1.00 0.00 O ATOM 256 CB SER A 399 -1.247 -7.717 3.713 1.00 0.00 C ATOM 257 OG SER A 399 -0.087 -7.976 2.943 1.00 0.00 O ATOM 0 H SER A 399 -0.147 -5.620 4.297 1.00 0.00 H new ATOM 0 HA SER A 399 -1.981 -6.291 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.995 -7.738 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.982 -8.504 3.544 1.00 0.00 H new ATOM 0 HG SER A 399 0.628 -7.363 3.212 1.00 0.00 H new ATOM 263 N GLU A 400 -3.257 -5.909 5.296 1.00 0.00 N ATOM 264 CA GLU A 400 -4.516 -5.757 6.015 1.00 0.00 C ATOM 265 C GLU A 400 -5.177 -4.419 5.685 1.00 0.00 C ATOM 266 O GLU A 400 -6.406 -4.312 5.688 1.00 0.00 O ATOM 267 CB GLU A 400 -4.312 -5.909 7.528 1.00 0.00 C ATOM 268 CG GLU A 400 -3.356 -4.900 8.136 1.00 0.00 C ATOM 269 CD GLU A 400 -3.187 -5.075 9.628 1.00 0.00 C ATOM 270 OE1 GLU A 400 -2.706 -6.144 10.060 1.00 0.00 O ATOM 271 OE2 GLU A 400 -3.538 -4.145 10.382 1.00 0.00 O ATOM 0 H GLU A 400 -2.423 -5.762 5.865 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.184 -6.553 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.279 -5.820 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.940 -6.913 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.384 -4.991 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.720 -3.893 7.932 1.00 0.00 H new ATOM 278 N GLU A 401 -4.358 -3.407 5.394 1.00 0.00 N ATOM 279 CA GLU A 401 -4.857 -2.082 5.036 1.00 0.00 C ATOM 280 C GLU A 401 -5.797 -2.148 3.843 1.00 0.00 C ATOM 281 O GLU A 401 -5.490 -2.774 2.825 1.00 0.00 O ATOM 282 CB GLU A 401 -3.702 -1.138 4.708 1.00 0.00 C ATOM 283 CG GLU A 401 -3.078 -0.468 5.917 1.00 0.00 C ATOM 284 CD GLU A 401 -3.983 0.567 6.561 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.136 0.736 6.109 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.540 1.230 7.522 1.00 0.00 O ATOM 0 H GLU A 401 -3.341 -3.483 5.400 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.405 -1.702 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -2.930 -1.698 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.061 -0.367 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.824 -1.229 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.145 0.010 5.618 1.00 0.00 H new ATOM 293 N LYS A 402 -6.934 -1.479 3.969 1.00 0.00 N ATOM 294 CA LYS A 402 -7.917 -1.436 2.902 1.00 0.00 C ATOM 295 C LYS A 402 -7.354 -0.741 1.664 1.00 0.00 C ATOM 296 O LYS A 402 -6.803 0.354 1.753 1.00 0.00 O ATOM 297 CB LYS A 402 -9.191 -0.727 3.373 1.00 0.00 C ATOM 298 CG LYS A 402 -8.951 0.668 3.939 1.00 0.00 C ATOM 299 CD LYS A 402 -10.253 1.368 4.306 1.00 0.00 C ATOM 300 CE LYS A 402 -11.086 1.695 3.075 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.309 2.472 3.410 1.00 0.00 N ATOM 0 H LYS A 402 -7.197 -0.957 4.805 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.165 -2.463 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.885 -0.654 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.675 -1.339 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.317 0.596 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.411 1.268 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.831 0.732 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -10.031 2.287 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.480 2.263 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.372 0.769 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.843 2.671 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.902 1.921 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.038 3.369 3.862 1.00 0.00 H new ATOM 315 N ILE A 403 -7.548 -1.388 0.518 1.00 0.00 N ATOM 316 CA ILE A 403 -7.167 -0.876 -0.806 1.00 0.00 C ATOM 317 C ILE A 403 -5.685 -0.460 -0.899 1.00 0.00 C ATOM 318 O ILE A 403 -5.268 0.197 -1.860 1.00 0.00 O ATOM 319 CB ILE A 403 -8.118 0.273 -1.259 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.244 0.286 -2.786 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.655 1.636 -0.754 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.311 1.230 -3.297 1.00 0.00 C ATOM 0 H ILE A 403 -7.986 -2.308 0.478 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.283 -1.708 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.096 0.079 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.284 0.567 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.467 -0.723 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.348 2.405 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.627 1.630 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.659 1.848 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.344 1.187 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.280 0.937 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.079 2.247 -2.981 1.00 0.00 H new ATOM 334 N CYS A 404 -4.861 -1.033 -0.036 1.00 0.00 N ATOM 335 CA CYS A 404 -3.421 -0.862 -0.135 1.00 0.00 C ATOM 336 C CYS A 404 -2.776 -2.164 -0.591 1.00 0.00 C ATOM 337 O CYS A 404 -3.361 -3.238 -0.431 1.00 0.00 O ATOM 338 CB CYS A 404 -2.845 -0.427 1.214 1.00 0.00 C ATOM 339 SG CYS A 404 -3.547 1.129 1.855 1.00 0.00 S ATOM 0 H CYS A 404 -5.165 -1.620 0.741 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.206 -0.085 -0.869 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.018 -1.219 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.765 -0.313 1.117 1.00 0.00 H new ATOM 344 N SER A 405 -1.620 -2.068 -1.235 1.00 0.00 N ATOM 345 CA SER A 405 -0.947 -3.243 -1.766 1.00 0.00 C ATOM 346 C SER A 405 0.566 -3.059 -1.725 1.00 0.00 C ATOM 347 O SER A 405 1.068 -1.931 -1.786 1.00 0.00 O ATOM 348 CB SER A 405 -1.405 -3.508 -3.200 1.00 0.00 C ATOM 349 OG SER A 405 -0.908 -4.743 -3.688 1.00 0.00 O ATOM 0 H SER A 405 -1.130 -1.189 -1.401 1.00 0.00 H new ATOM 0 HA SER A 405 -1.208 -4.100 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.494 -3.513 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.066 -2.698 -3.846 1.00 0.00 H new ATOM 0 HG SER A 405 -1.221 -4.882 -4.606 1.00 0.00 H new ATOM 355 N TRP A 406 1.277 -4.157 -1.513 1.00 0.00 N ATOM 356 CA TRP A 406 2.723 -4.123 -1.365 1.00 0.00 C ATOM 357 C TRP A 406 3.426 -3.969 -2.713 1.00 0.00 C ATOM 358 O TRP A 406 2.858 -4.230 -3.775 1.00 0.00 O ATOM 359 CB TRP A 406 3.217 -5.383 -0.653 1.00 0.00 C ATOM 360 CG TRP A 406 4.540 -5.210 0.040 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.644 -5.998 -0.084 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.878 -4.199 0.993 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.658 -5.522 0.704 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.212 -4.422 1.383 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.187 -3.125 1.550 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.866 -3.605 2.300 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.837 -2.317 2.463 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.163 -2.561 2.829 1.00 0.00 C ATOM 0 H TRP A 406 0.871 -5.090 -1.439 1.00 0.00 H new ATOM 0 HA TRP A 406 2.970 -3.251 -0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.471 -5.691 0.080 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.301 -6.190 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.710 -6.873 -0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.593 -5.923 0.773 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.162 -2.928 1.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.892 -3.790 2.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.311 -1.482 2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.642 -1.910 3.545 1.00 0.00 H new ATOM 379 N HIS A 407 4.643 -3.474 -2.637 1.00 0.00 N ATOM 380 CA HIS A 407 5.476 -3.179 -3.790 1.00 0.00 C ATOM 381 C HIS A 407 6.916 -3.474 -3.383 1.00 0.00 C ATOM 382 O HIS A 407 7.646 -2.565 -2.992 1.00 0.00 O ATOM 383 CB HIS A 407 5.309 -1.700 -4.164 1.00 0.00 C ATOM 384 CG HIS A 407 5.797 -1.308 -5.521 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.044 -1.616 -6.005 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.201 -0.562 -6.481 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.196 -1.080 -7.197 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.092 -0.436 -7.513 1.00 0.00 N ATOM 0 H HIS A 407 5.095 -3.259 -1.748 1.00 0.00 H new ATOM 0 HA HIS A 407 5.198 -3.780 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.252 -1.445 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.834 -1.097 -3.423 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.744 -2.174 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.206 -0.144 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.079 -1.156 -7.814 1.00 0.00 H new ATOM 397 N LYS A 408 7.188 -4.769 -3.200 1.00 0.00 N ATOM 398 CA LYS A 408 8.414 -5.247 -2.546 1.00 0.00 C ATOM 399 C LYS A 408 9.661 -4.482 -2.985 1.00 0.00 C ATOM 400 O LYS A 408 10.348 -3.887 -2.158 1.00 0.00 O ATOM 401 CB LYS A 408 8.613 -6.741 -2.821 1.00 0.00 C ATOM 402 CG LYS A 408 7.472 -7.612 -2.324 1.00 0.00 C ATOM 403 CD LYS A 408 7.755 -9.093 -2.525 1.00 0.00 C ATOM 404 CE LYS A 408 8.946 -9.555 -1.699 1.00 0.00 C ATOM 405 NZ LYS A 408 9.104 -11.033 -1.731 1.00 0.00 N ATOM 0 H LYS A 408 6.565 -5.518 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 408 8.283 -5.073 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.732 -6.891 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.540 -7.068 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.301 -7.416 -1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.556 -7.344 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.874 -9.673 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.947 -9.287 -3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 408 9.854 -9.085 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.822 -9.226 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 9.926 -11.307 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.248 -11.482 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 9.248 -11.346 -2.712 1.00 0.00 H new ATOM 419 N GLU A 409 9.947 -4.486 -4.276 1.00 0.00 N ATOM 420 CA GLU A 409 11.106 -3.770 -4.787 1.00 0.00 C ATOM 421 C GLU A 409 10.722 -2.338 -5.136 1.00 0.00 C ATOM 422 O GLU A 409 9.693 -2.106 -5.764 1.00 0.00 O ATOM 423 CB GLU A 409 11.683 -4.483 -6.011 1.00 0.00 C ATOM 424 CG GLU A 409 12.983 -3.871 -6.502 1.00 0.00 C ATOM 425 CD GLU A 409 13.578 -4.616 -7.675 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.947 -5.799 -7.515 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.682 -4.022 -8.766 1.00 0.00 O ATOM 0 H GLU A 409 9.398 -4.972 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 409 11.873 -3.749 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.852 -5.532 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.950 -4.458 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.805 -2.835 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.703 -3.856 -5.684 1.00 0.00 H new ATOM 434 N VAL A 410 11.537 -1.382 -4.717 1.00 0.00 N ATOM 435 CA VAL A 410 11.262 0.022 -4.988 1.00 0.00 C ATOM 436 C VAL A 410 12.486 0.716 -5.571 1.00 0.00 C ATOM 437 O VAL A 410 13.595 0.589 -5.049 1.00 0.00 O ATOM 438 CB VAL A 410 10.796 0.768 -3.720 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.369 0.379 -3.372 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.729 0.486 -2.547 1.00 0.00 C ATOM 0 H VAL A 410 12.393 -1.552 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 410 10.454 0.051 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 410 10.825 1.838 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.055 0.913 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.709 0.639 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.318 -0.695 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.378 1.023 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.739 -0.584 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.737 0.817 -2.796 1.00 0.00 H new ATOM 450 N LYS A 411 12.296 1.367 -6.710 1.00 0.00 N ATOM 451 CA LYS A 411 13.391 1.997 -7.434 1.00 0.00 C ATOM 452 C LYS A 411 13.609 3.430 -6.960 1.00 0.00 C ATOM 453 O LYS A 411 13.692 4.361 -7.763 1.00 0.00 O ATOM 454 CB LYS A 411 13.103 1.948 -8.934 1.00 0.00 C ATOM 455 CG LYS A 411 14.297 2.279 -9.813 1.00 0.00 C ATOM 456 CD LYS A 411 13.985 2.030 -11.279 1.00 0.00 C ATOM 457 CE LYS A 411 15.150 2.415 -12.174 1.00 0.00 C ATOM 458 NZ LYS A 411 15.385 3.883 -12.187 1.00 0.00 N ATOM 0 H LYS A 411 11.385 1.473 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 411 14.312 1.449 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.744 0.951 -9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.296 2.646 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.579 3.322 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 411 15.152 1.674 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.745 0.977 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.102 2.601 -11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 411 16.052 1.907 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 411 14.955 2.071 -13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 16.058 4.120 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.486 4.377 -12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 15.776 4.180 -11.270 1.00 0.00 H new ATOM 472 N ALA A 412 13.792 3.562 -5.652 1.00 0.00 N ATOM 473 CA ALA A 412 14.111 4.840 -5.011 1.00 0.00 C ATOM 474 C ALA A 412 13.263 5.990 -5.555 1.00 0.00 C ATOM 475 O ALA A 412 13.787 6.970 -6.090 1.00 0.00 O ATOM 476 CB ALA A 412 15.590 5.137 -5.169 1.00 0.00 C ATOM 0 H ALA A 412 13.724 2.782 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 412 13.872 4.751 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.823 6.088 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.172 4.343 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.839 5.193 -6.229 1.00 0.00 H new ATOM 482 N GLY A 413 11.953 5.852 -5.439 1.00 0.00 N ATOM 483 CA GLY A 413 11.053 6.867 -5.941 1.00 0.00 C ATOM 484 C GLY A 413 9.618 6.556 -5.597 1.00 0.00 C ATOM 485 O GLY A 413 8.889 7.419 -5.106 1.00 0.00 O ATOM 0 H GLY A 413 11.495 5.051 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.326 7.836 -5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.160 6.946 -7.023 1.00 0.00 H new ATOM 489 N GLU A 414 9.231 5.301 -5.791 1.00 0.00 N ATOM 490 CA GLU A 414 7.892 4.848 -5.446 1.00 0.00 C ATOM 491 C GLU A 414 7.755 4.663 -3.933 1.00 0.00 C ATOM 492 O GLU A 414 8.411 5.351 -3.146 1.00 0.00 O ATOM 493 CB GLU A 414 7.577 3.529 -6.163 1.00 0.00 C ATOM 494 CG GLU A 414 7.660 3.616 -7.677 1.00 0.00 C ATOM 495 CD GLU A 414 6.703 4.636 -8.254 1.00 0.00 C ATOM 496 OE1 GLU A 414 5.487 4.524 -8.001 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.161 5.547 -8.976 1.00 0.00 O ATOM 0 H GLU A 414 9.830 4.577 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 414 7.181 5.609 -5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.270 2.763 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.575 3.204 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.679 3.874 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.444 2.637 -8.106 1.00 0.00 H new ATOM 504 N LYS A 415 6.959 3.687 -3.533 1.00 0.00 N ATOM 505 CA LYS A 415 6.765 3.373 -2.128 1.00 0.00 C ATOM 506 C LYS A 415 6.302 1.931 -2.018 1.00 0.00 C ATOM 507 O LYS A 415 5.617 1.440 -2.916 1.00 0.00 O ATOM 508 CB LYS A 415 5.738 4.330 -1.503 1.00 0.00 C ATOM 509 CG LYS A 415 5.491 4.095 -0.019 1.00 0.00 C ATOM 510 CD LYS A 415 6.741 4.333 0.815 1.00 0.00 C ATOM 511 CE LYS A 415 7.088 5.808 0.922 1.00 0.00 C ATOM 512 NZ LYS A 415 6.145 6.539 1.811 1.00 0.00 N ATOM 0 H LYS A 415 6.430 3.091 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 415 7.701 3.496 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.079 5.355 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.793 4.231 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.695 4.756 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.144 3.073 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.592 3.923 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.579 3.796 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.103 5.915 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.072 6.257 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.563 7.186 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 5.529 5.858 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.683 7.085 2.514 1.00 0.00 H new ATOM 526 N ASN A 416 6.816 1.215 -1.026 1.00 0.00 N ATOM 527 CA ASN A 416 6.538 -0.210 -0.906 1.00 0.00 C ATOM 528 C ASN A 416 5.047 -0.442 -0.695 1.00 0.00 C ATOM 529 O ASN A 416 4.402 -1.109 -1.488 1.00 0.00 O ATOM 530 CB ASN A 416 7.338 -0.838 0.239 1.00 0.00 C ATOM 531 CG ASN A 416 8.838 -0.693 0.069 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.384 0.411 0.134 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.517 -1.807 -0.150 1.00 0.00 N ATOM 0 H ASN A 416 7.423 1.594 -0.299 1.00 0.00 H new ATOM 0 HA ASN A 416 6.845 -0.691 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.039 -0.375 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.088 -1.896 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.529 -1.772 -0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 416 9.028 -2.701 -0.197 1.00 0.00 H new ATOM 540 N CYS A 417 4.460 0.226 0.275 1.00 0.00 N ATOM 541 CA CYS A 417 3.014 0.181 0.397 1.00 0.00 C ATOM 542 C CYS A 417 2.415 1.296 -0.437 1.00 0.00 C ATOM 543 O CYS A 417 2.748 2.470 -0.258 1.00 0.00 O ATOM 544 CB CYS A 417 2.558 0.296 1.847 1.00 0.00 C ATOM 545 SG CYS A 417 0.774 -0.011 2.076 1.00 0.00 S ATOM 0 H CYS A 417 4.942 0.792 0.973 1.00 0.00 H new ATOM 0 HA CYS A 417 2.667 -0.786 0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.121 -0.413 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.797 1.293 2.217 1.00 0.00 H new ATOM 550 N GLN A 418 1.626 0.922 -1.426 1.00 0.00 N ATOM 551 CA GLN A 418 1.096 1.890 -2.365 1.00 0.00 C ATOM 552 C GLN A 418 -0.316 1.534 -2.789 1.00 0.00 C ATOM 553 O GLN A 418 -0.786 0.415 -2.577 1.00 0.00 O ATOM 554 CB GLN A 418 2.022 2.035 -3.585 1.00 0.00 C ATOM 555 CG GLN A 418 2.609 0.728 -4.107 1.00 0.00 C ATOM 556 CD GLN A 418 1.615 -0.126 -4.871 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.953 0.343 -5.793 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.522 -1.392 -4.504 1.00 0.00 N ATOM 0 H GLN A 418 1.339 -0.041 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 418 1.052 2.854 -1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.465 2.513 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.841 2.705 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.455 0.954 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.997 0.153 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.090 -1.742 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.882 -2.019 -4.992 1.00 0.00 H new ATOM 567 N PHE A 419 -1.014 2.534 -3.299 1.00 0.00 N ATOM 568 CA PHE A 419 -2.394 2.384 -3.710 1.00 0.00 C ATOM 569 C PHE A 419 -2.484 1.430 -4.893 1.00 0.00 C ATOM 570 O PHE A 419 -1.805 1.622 -5.899 1.00 0.00 O ATOM 571 CB PHE A 419 -2.949 3.755 -4.092 1.00 0.00 C ATOM 572 CG PHE A 419 -4.423 3.777 -4.343 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.305 3.292 -3.396 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.928 4.286 -5.527 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.664 3.316 -3.624 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.288 4.313 -5.761 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.159 3.825 -4.809 1.00 0.00 C ATOM 0 H PHE A 419 -0.638 3.472 -3.439 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.980 1.971 -2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.718 4.462 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.435 4.105 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.926 2.890 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.250 4.666 -6.277 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.343 2.936 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.670 4.715 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.224 3.841 -4.989 1.00 0.00 H new ATOM 587 N ASN A 420 -3.283 0.381 -4.756 1.00 0.00 N ATOM 588 CA ASN A 420 -3.397 -0.616 -5.818 1.00 0.00 C ATOM 589 C ASN A 420 -4.369 -0.174 -6.916 1.00 0.00 C ATOM 590 O ASN A 420 -4.676 -0.944 -7.823 1.00 0.00 O ATOM 591 CB ASN A 420 -3.823 -1.975 -5.253 1.00 0.00 C ATOM 592 CG ASN A 420 -5.136 -1.935 -4.490 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.146 -1.417 -4.969 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.141 -2.525 -3.310 1.00 0.00 N ATOM 0 H ASN A 420 -3.856 0.197 -3.933 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.409 -0.715 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.911 -2.688 -6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.040 -2.345 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.001 -2.563 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.285 -2.943 -2.945 1.00 0.00 H new ATOM 601 N SER A 421 -4.765 1.095 -6.873 1.00 0.00 N ATOM 602 CA SER A 421 -5.624 1.710 -7.895 1.00 0.00 C ATOM 603 C SER A 421 -6.865 0.873 -8.225 1.00 0.00 C ATOM 604 O SER A 421 -7.056 0.447 -9.364 1.00 0.00 O ATOM 605 CB SER A 421 -4.822 2.040 -9.167 1.00 0.00 C ATOM 606 OG SER A 421 -4.050 0.936 -9.614 1.00 0.00 O ATOM 0 H SER A 421 -4.500 1.735 -6.124 1.00 0.00 H new ATOM 0 HA SER A 421 -5.991 2.642 -7.465 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.507 2.346 -9.958 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.164 2.886 -8.970 1.00 0.00 H new ATOM 0 HG SER A 421 -4.411 0.109 -9.232 1.00 0.00 H new ATOM 612 N THR A 422 -7.746 0.732 -7.232 1.00 0.00 N ATOM 613 CA THR A 422 -9.034 0.059 -7.408 1.00 0.00 C ATOM 614 C THR A 422 -8.853 -1.429 -7.741 1.00 0.00 C ATOM 615 O THR A 422 -9.769 -2.097 -8.220 1.00 0.00 O ATOM 616 CB THR A 422 -9.878 0.762 -8.500 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.789 2.186 -8.331 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.343 0.350 -8.429 1.00 0.00 C ATOM 0 H THR A 422 -7.587 1.080 -6.286 1.00 0.00 H new ATOM 0 HA THR A 422 -9.569 0.125 -6.461 1.00 0.00 H new ATOM 0 HB THR A 422 -9.482 0.464 -9.471 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.321 2.631 -9.023 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.904 0.863 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.425 -0.727 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.750 0.619 -7.454 1.00 0.00 H new ATOM 626 N LYS A 423 -7.713 -1.975 -7.348 1.00 0.00 N ATOM 627 CA LYS A 423 -7.466 -3.400 -7.491 1.00 0.00 C ATOM 628 C LYS A 423 -8.186 -4.153 -6.384 1.00 0.00 C ATOM 629 O LYS A 423 -8.747 -5.226 -6.601 1.00 0.00 O ATOM 630 CB LYS A 423 -5.970 -3.683 -7.431 1.00 0.00 C ATOM 631 CG LYS A 423 -5.595 -5.129 -7.695 1.00 0.00 C ATOM 632 CD LYS A 423 -4.097 -5.329 -7.552 1.00 0.00 C ATOM 633 CE LYS A 423 -3.691 -6.759 -7.857 1.00 0.00 C ATOM 634 NZ LYS A 423 -2.223 -6.953 -7.731 1.00 0.00 N ATOM 0 H LYS A 423 -6.944 -1.452 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.843 -3.734 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.463 -3.050 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.598 -3.398 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.122 -5.780 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.911 -5.415 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -3.573 -4.650 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.790 -5.072 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.207 -7.437 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.007 -7.019 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.984 -7.942 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.731 -6.324 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.925 -6.729 -6.760 1.00 0.00 H new ATOM 648 N ALA A 424 -8.179 -3.560 -5.198 1.00 0.00 N ATOM 649 CA ALA A 424 -8.820 -4.158 -4.034 1.00 0.00 C ATOM 650 C ALA A 424 -10.325 -3.908 -4.024 1.00 0.00 C ATOM 651 O ALA A 424 -10.880 -3.417 -3.039 1.00 0.00 O ATOM 652 CB ALA A 424 -8.188 -3.636 -2.757 1.00 0.00 C ATOM 0 H ALA A 424 -7.734 -2.660 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.667 -5.236 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.677 -4.092 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.127 -3.887 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.305 -2.553 -2.710 1.00 0.00 H new