USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=12 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 Set 1.1: A 422 THR OG1 : rot 11:sc= 0.85 USER MOD Set 1.2: A 423 LYS NZ :NH3+ -168:sc= -0.0464 (180deg=-0.398) USER MOD Set 2.1: A 405 SER OG : rot -55:sc= 0.673 USER MOD Set 2.2: A 420 ASN : amide:sc= -0.716 K(o=-0.044,f=-6.3!) USER MOD Single : A 384 SER OG : rot -41:sc= -0.157 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.155 F(o=-0.72!,f=-0.16) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot -2:sc= 1.01 USER MOD Single : A 397 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.12) USER MOD Single : A 399 SER OG : rot -79:sc= 0.374 USER MOD Single : A 402 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.172) USER MOD Single : A 407 HIS : no HD1:sc= -0.608 K(o=-0.61,f=-3.8!) USER MOD Single : A 408 LYS NZ :NH3+ -171:sc= -0.0181 (180deg=-0.137) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -128:sc= 0.7 (180deg=-0.372) USER MOD Single : A 416 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.6) USER MOD Single : A 418 GLN : amide:sc= 1.14 K(o=1.1,f=-0.089) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -5.162 10.801 -2.655 1.00 0.00 N ATOM 33 CA SER A 384 -4.984 11.012 -1.222 1.00 0.00 C ATOM 34 C SER A 384 -4.909 9.683 -0.447 1.00 0.00 C ATOM 35 O SER A 384 -4.047 9.542 0.418 1.00 0.00 O ATOM 36 CB SER A 384 -6.084 11.916 -0.651 1.00 0.00 C ATOM 37 OG SER A 384 -7.367 11.553 -1.137 1.00 0.00 O ATOM 0 HA SER A 384 -4.027 11.518 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 384 -6.077 11.855 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.875 12.953 -0.914 1.00 0.00 H new ATOM 0 HG SER A 384 -7.305 11.332 -2.090 1.00 0.00 H new ATOM 43 N PRO A 385 -5.775 8.670 -0.736 1.00 0.00 N ATOM 44 CA PRO A 385 -5.691 7.368 -0.055 1.00 0.00 C ATOM 45 C PRO A 385 -4.322 6.726 -0.267 1.00 0.00 C ATOM 46 O PRO A 385 -3.766 6.096 0.631 1.00 0.00 O ATOM 47 CB PRO A 385 -6.790 6.522 -0.713 1.00 0.00 C ATOM 48 CG PRO A 385 -7.113 7.221 -1.989 1.00 0.00 C ATOM 49 CD PRO A 385 -6.853 8.678 -1.745 1.00 0.00 C ATOM 0 HA PRO A 385 -5.820 7.459 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.445 5.505 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.668 6.449 -0.071 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.495 6.847 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.152 7.053 -2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.546 9.189 -2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.743 9.189 -1.378 1.00 0.00 H new ATOM 57 N GLU A 386 -3.741 7.017 -1.427 1.00 0.00 N ATOM 58 CA GLU A 386 -2.383 6.606 -1.749 1.00 0.00 C ATOM 59 C GLU A 386 -1.408 7.163 -0.718 1.00 0.00 C ATOM 60 O GLU A 386 -0.624 6.421 -0.132 1.00 0.00 O ATOM 61 CB GLU A 386 -2.019 7.119 -3.141 1.00 0.00 C ATOM 62 CG GLU A 386 -0.634 6.728 -3.614 1.00 0.00 C ATOM 63 CD GLU A 386 -0.322 7.319 -4.970 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.027 6.982 -5.942 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.594 8.163 -5.060 1.00 0.00 O ATOM 0 H GLU A 386 -4.201 7.545 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.322 5.518 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.752 6.744 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.097 8.206 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.107 7.066 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.559 5.642 -3.664 1.00 0.00 H new ATOM 72 N ALA A 387 -1.535 8.461 -0.451 1.00 0.00 N ATOM 73 CA ALA A 387 -0.715 9.142 0.546 1.00 0.00 C ATOM 74 C ALA A 387 -0.860 8.489 1.916 1.00 0.00 C ATOM 75 O ALA A 387 0.122 8.322 2.638 1.00 0.00 O ATOM 76 CB ALA A 387 -1.097 10.616 0.616 1.00 0.00 C ATOM 0 H ALA A 387 -2.208 9.068 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 387 0.329 9.059 0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.480 11.117 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.937 11.080 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.147 10.707 0.893 1.00 0.00 H new ATOM 82 N GLU A 388 -2.081 8.087 2.248 1.00 0.00 N ATOM 83 CA GLU A 388 -2.348 7.414 3.511 1.00 0.00 C ATOM 84 C GLU A 388 -1.616 6.082 3.576 1.00 0.00 C ATOM 85 O GLU A 388 -0.901 5.804 4.536 1.00 0.00 O ATOM 86 CB GLU A 388 -3.844 7.176 3.690 1.00 0.00 C ATOM 87 CG GLU A 388 -4.676 8.440 3.666 1.00 0.00 C ATOM 88 CD GLU A 388 -6.128 8.162 3.968 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.422 7.673 5.078 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.980 8.414 3.092 1.00 0.00 O ATOM 0 H GLU A 388 -2.903 8.216 1.658 1.00 0.00 H new ATOM 0 HA GLU A 388 -1.990 8.059 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.192 6.509 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.009 6.663 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.282 9.148 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.592 8.911 2.687 1.00 0.00 H new ATOM 97 N CYS A 389 -1.783 5.268 2.539 1.00 0.00 N ATOM 98 CA CYS A 389 -1.140 3.964 2.479 1.00 0.00 C ATOM 99 C CYS A 389 0.384 4.087 2.474 1.00 0.00 C ATOM 100 O CYS A 389 1.081 3.270 3.078 1.00 0.00 O ATOM 101 CB CYS A 389 -1.638 3.199 1.260 1.00 0.00 C ATOM 102 SG CYS A 389 -3.389 2.718 1.395 1.00 0.00 S ATOM 0 H CYS A 389 -2.360 5.491 1.728 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.408 3.406 3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.503 3.814 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.030 2.305 1.125 1.00 0.00 H new ATOM 107 N ASN A 390 0.888 5.164 1.884 1.00 0.00 N ATOM 108 CA ASN A 390 2.325 5.446 1.880 1.00 0.00 C ATOM 109 C ASN A 390 2.887 5.487 3.302 1.00 0.00 C ATOM 110 O ASN A 390 4.068 5.212 3.516 1.00 0.00 O ATOM 111 CB ASN A 390 2.611 6.787 1.190 1.00 0.00 C ATOM 112 CG ASN A 390 2.424 6.765 -0.320 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.307 5.581 -0.905 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.412 7.817 -0.963 1.00 0.00 N flip ATOM 0 H ASN A 390 0.323 5.861 1.399 1.00 0.00 H new ATOM 0 HA ASN A 390 2.812 4.640 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.956 7.548 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.635 7.087 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.504 8.711 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.310 7.793 -1.978 1.00 0.00 H new ATOM 121 N LYS A 391 2.049 5.891 4.254 1.00 0.00 N ATOM 122 CA LYS A 391 2.456 6.045 5.649 1.00 0.00 C ATOM 123 C LYS A 391 2.746 4.702 6.315 1.00 0.00 C ATOM 124 O LYS A 391 3.574 4.629 7.224 1.00 0.00 O ATOM 125 CB LYS A 391 1.367 6.779 6.433 1.00 0.00 C ATOM 126 CG LYS A 391 1.074 8.177 5.917 1.00 0.00 C ATOM 127 CD LYS A 391 2.245 9.116 6.147 1.00 0.00 C ATOM 128 CE LYS A 391 1.949 10.508 5.620 1.00 0.00 C ATOM 129 NZ LYS A 391 2.987 11.486 6.033 1.00 0.00 N ATOM 0 H LYS A 391 1.070 6.121 4.081 1.00 0.00 H new ATOM 0 HA LYS A 391 3.378 6.627 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.450 6.191 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.667 6.844 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.847 8.132 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.188 8.571 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 391 2.468 9.168 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 391 3.133 8.720 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.889 10.480 4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.975 10.835 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 2.750 12.425 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 3.027 11.532 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 3.912 11.187 5.664 1.00 0.00 H new ATOM 143 N ILE A 392 1.977 3.677 5.946 1.00 0.00 N ATOM 144 CA ILE A 392 2.067 2.364 6.576 1.00 0.00 C ATOM 145 C ILE A 392 3.511 1.854 6.612 1.00 0.00 C ATOM 146 O ILE A 392 4.045 1.582 7.689 1.00 0.00 O ATOM 147 CB ILE A 392 1.155 1.331 5.853 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.320 1.533 6.227 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.572 -0.088 6.194 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.916 2.850 5.796 1.00 0.00 C ATOM 0 H ILE A 392 1.278 3.735 5.205 1.00 0.00 H new ATOM 0 HA ILE A 392 1.720 2.478 7.603 1.00 0.00 H new ATOM 0 HB ILE A 392 1.270 1.491 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.904 0.726 5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.420 1.444 7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.920 -0.793 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.603 -0.250 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.492 -0.242 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.960 2.896 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.364 3.668 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.856 2.939 4.711 1.00 0.00 H new ATOM 162 N THR A 393 4.144 1.789 5.441 1.00 0.00 N ATOM 163 CA THR A 393 5.548 1.380 5.295 1.00 0.00 C ATOM 164 C THR A 393 5.833 0.032 5.959 1.00 0.00 C ATOM 165 O THR A 393 6.961 -0.245 6.368 1.00 0.00 O ATOM 166 CB THR A 393 6.529 2.447 5.850 1.00 0.00 C ATOM 167 OG1 THR A 393 6.394 2.591 7.272 1.00 0.00 O ATOM 168 CG2 THR A 393 6.290 3.793 5.187 1.00 0.00 C ATOM 0 H THR A 393 3.695 2.021 4.555 1.00 0.00 H new ATOM 0 HA THR A 393 5.713 1.278 4.222 1.00 0.00 H new ATOM 0 HB THR A 393 7.539 2.105 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.683 1.999 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.988 4.526 5.591 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.442 3.701 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.268 4.119 5.383 1.00 0.00 H new ATOM 176 N GLU A 394 4.825 -0.826 6.009 1.00 0.00 N ATOM 177 CA GLU A 394 4.968 -2.154 6.597 1.00 0.00 C ATOM 178 C GLU A 394 4.145 -3.167 5.813 1.00 0.00 C ATOM 179 O GLU A 394 3.004 -2.894 5.449 1.00 0.00 O ATOM 180 CB GLU A 394 4.529 -2.148 8.064 1.00 0.00 C ATOM 181 CG GLU A 394 5.385 -1.264 8.956 1.00 0.00 C ATOM 182 CD GLU A 394 4.992 -1.349 10.411 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.096 -2.444 10.995 1.00 0.00 O ATOM 184 OE2 GLU A 394 4.572 -0.320 10.977 1.00 0.00 O ATOM 0 H GLU A 394 3.892 -0.626 5.647 1.00 0.00 H new ATOM 0 HA GLU A 394 6.020 -2.437 6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.493 -1.813 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.556 -3.169 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.431 -1.552 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.303 -0.230 8.622 1.00 0.00 H new ATOM 191 N GLU A 395 4.756 -4.300 5.504 1.00 0.00 N ATOM 192 CA GLU A 395 4.131 -5.325 4.686 1.00 0.00 C ATOM 193 C GLU A 395 2.869 -5.899 5.352 1.00 0.00 C ATOM 194 O GLU A 395 1.813 -5.890 4.737 1.00 0.00 O ATOM 195 CB GLU A 395 5.160 -6.420 4.364 1.00 0.00 C ATOM 196 CG GLU A 395 4.709 -7.448 3.337 1.00 0.00 C ATOM 197 CD GLU A 395 3.773 -8.486 3.909 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.144 -9.147 4.901 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.666 -8.654 3.368 1.00 0.00 O ATOM 0 H GLU A 395 5.699 -4.534 5.814 1.00 0.00 H new ATOM 0 HA GLU A 395 3.799 -4.873 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.072 -5.945 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.415 -6.940 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.213 -6.936 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.585 -7.947 2.922 1.00 0.00 H new ATOM 206 N PRO A 396 2.933 -6.398 6.612 1.00 0.00 N ATOM 207 CA PRO A 396 1.761 -6.993 7.278 1.00 0.00 C ATOM 208 C PRO A 396 0.572 -6.037 7.351 1.00 0.00 C ATOM 209 O PRO A 396 -0.564 -6.422 7.079 1.00 0.00 O ATOM 210 CB PRO A 396 2.271 -7.326 8.683 1.00 0.00 C ATOM 211 CG PRO A 396 3.742 -7.464 8.524 1.00 0.00 C ATOM 212 CD PRO A 396 4.132 -6.467 7.471 1.00 0.00 C ATOM 0 HA PRO A 396 1.388 -7.859 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.021 -6.537 9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.825 -8.247 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.258 -7.264 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.010 -8.477 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.373 -5.497 7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.009 -6.793 6.913 1.00 0.00 H new ATOM 220 N LYS A 397 0.839 -4.788 7.696 1.00 0.00 N ATOM 221 CA LYS A 397 -0.214 -3.787 7.800 1.00 0.00 C ATOM 222 C LYS A 397 -0.766 -3.417 6.424 1.00 0.00 C ATOM 223 O LYS A 397 -1.980 -3.307 6.238 1.00 0.00 O ATOM 224 CB LYS A 397 0.315 -2.544 8.515 1.00 0.00 C ATOM 225 CG LYS A 397 0.696 -2.797 9.965 1.00 0.00 C ATOM 226 CD LYS A 397 1.340 -1.575 10.598 1.00 0.00 C ATOM 227 CE LYS A 397 1.702 -1.833 12.050 1.00 0.00 C ATOM 228 NZ LYS A 397 2.504 -0.725 12.630 1.00 0.00 N ATOM 0 H LYS A 397 1.775 -4.442 7.909 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.031 -4.212 8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.186 -2.169 7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.444 -1.762 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.193 -3.075 10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.385 -3.640 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.236 -1.303 10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.657 -0.728 10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.790 -1.964 12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.264 -2.764 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.844 -0.999 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.318 -0.526 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.913 0.127 12.709 1.00 0.00 H new ATOM 242 N CYS A 398 0.129 -3.228 5.459 1.00 0.00 N ATOM 243 CA CYS A 398 -0.269 -2.848 4.107 1.00 0.00 C ATOM 244 C CYS A 398 -0.992 -3.995 3.408 1.00 0.00 C ATOM 245 O CYS A 398 -1.949 -3.778 2.672 1.00 0.00 O ATOM 246 CB CYS A 398 0.947 -2.433 3.282 1.00 0.00 C ATOM 247 SG CYS A 398 0.532 -1.581 1.731 1.00 0.00 S ATOM 0 H CYS A 398 1.135 -3.332 5.588 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.950 -2.001 4.190 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.577 -1.780 3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.536 -3.320 3.051 1.00 0.00 H new ATOM 252 N SER A 399 -0.521 -5.215 3.636 1.00 0.00 N ATOM 253 CA SER A 399 -1.121 -6.393 3.030 1.00 0.00 C ATOM 254 C SER A 399 -2.537 -6.590 3.558 1.00 0.00 C ATOM 255 O SER A 399 -3.441 -6.985 2.820 1.00 0.00 O ATOM 256 CB SER A 399 -0.253 -7.623 3.307 1.00 0.00 C ATOM 257 OG SER A 399 -0.102 -7.851 4.695 1.00 0.00 O ATOM 0 H SER A 399 0.278 -5.413 4.239 1.00 0.00 H new ATOM 0 HA SER A 399 -1.179 -6.253 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.703 -8.499 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.728 -7.487 2.851 1.00 0.00 H new ATOM 0 HG SER A 399 0.570 -7.236 5.056 1.00 0.00 H new ATOM 263 N GLU A 400 -2.733 -6.240 4.825 1.00 0.00 N ATOM 264 CA GLU A 400 -4.045 -6.299 5.445 1.00 0.00 C ATOM 265 C GLU A 400 -4.973 -5.260 4.810 1.00 0.00 C ATOM 266 O GLU A 400 -6.163 -5.517 4.619 1.00 0.00 O ATOM 267 CB GLU A 400 -3.930 -6.074 6.955 1.00 0.00 C ATOM 268 CG GLU A 400 -5.201 -6.406 7.717 1.00 0.00 C ATOM 269 CD GLU A 400 -5.585 -7.865 7.590 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.833 -8.731 8.086 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.641 -8.157 6.992 1.00 0.00 O ATOM 0 H GLU A 400 -1.992 -5.911 5.443 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.470 -7.289 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.114 -6.683 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.667 -5.033 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.065 -6.159 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.016 -5.785 7.346 1.00 0.00 H new ATOM 278 N GLU A 401 -4.399 -4.132 4.386 1.00 0.00 N ATOM 279 CA GLU A 401 -5.146 -3.120 3.644 1.00 0.00 C ATOM 280 C GLU A 401 -5.643 -3.718 2.330 1.00 0.00 C ATOM 281 O GLU A 401 -4.932 -4.487 1.686 1.00 0.00 O ATOM 282 CB GLU A 401 -4.272 -1.889 3.364 1.00 0.00 C ATOM 283 CG GLU A 401 -3.905 -1.089 4.608 1.00 0.00 C ATOM 284 CD GLU A 401 -5.104 -0.415 5.246 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.838 0.306 4.539 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.308 -0.584 6.466 1.00 0.00 O ATOM 0 H GLU A 401 -3.419 -3.898 4.545 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.997 -2.801 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.356 -2.212 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.797 -1.236 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.436 -1.751 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.166 -0.332 4.343 1.00 0.00 H new ATOM 293 N LYS A 402 -6.908 -3.496 2.017 1.00 0.00 N ATOM 294 CA LYS A 402 -7.515 -4.131 0.856 1.00 0.00 C ATOM 295 C LYS A 402 -7.242 -3.345 -0.422 1.00 0.00 C ATOM 296 O LYS A 402 -6.933 -3.926 -1.462 1.00 0.00 O ATOM 297 CB LYS A 402 -9.022 -4.291 1.058 1.00 0.00 C ATOM 298 CG LYS A 402 -9.390 -5.090 2.298 1.00 0.00 C ATOM 299 CD LYS A 402 -10.895 -5.297 2.423 1.00 0.00 C ATOM 300 CE LYS A 402 -11.653 -3.981 2.556 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.193 -3.181 3.721 1.00 0.00 N ATOM 0 H LYS A 402 -7.532 -2.886 2.545 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.062 -5.116 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.478 -3.303 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.447 -4.780 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.893 -6.060 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.021 -4.573 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.259 -5.836 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.102 -5.922 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.526 -3.397 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.719 -4.187 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -11.843 -2.383 3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.178 -3.781 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -10.236 -2.818 3.537 1.00 0.00 H new ATOM 315 N ILE A 403 -7.439 -2.034 -0.366 1.00 0.00 N ATOM 316 CA ILE A 403 -7.318 -1.205 -1.560 1.00 0.00 C ATOM 317 C ILE A 403 -5.911 -0.599 -1.682 1.00 0.00 C ATOM 318 O ILE A 403 -5.661 0.292 -2.500 1.00 0.00 O ATOM 319 CB ILE A 403 -8.407 -0.105 -1.575 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.597 0.453 -2.990 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.067 1.008 -0.593 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.837 1.307 -3.142 1.00 0.00 C ATOM 0 H ILE A 403 -7.681 -1.525 0.484 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.472 -1.844 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.348 -0.556 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.722 1.046 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.648 -0.377 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.847 1.769 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.998 0.596 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.112 1.456 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.907 1.668 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.719 0.713 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.779 2.157 -2.462 1.00 0.00 H new ATOM 334 N CYS A 404 -4.961 -1.243 -1.023 1.00 0.00 N ATOM 335 CA CYS A 404 -3.552 -0.903 -1.167 1.00 0.00 C ATOM 336 C CYS A 404 -2.714 -2.172 -1.118 1.00 0.00 C ATOM 337 O CYS A 404 -3.148 -3.180 -0.563 1.00 0.00 O ATOM 338 CB CYS A 404 -3.120 0.083 -0.086 1.00 0.00 C ATOM 339 SG CYS A 404 -3.771 1.766 -0.348 1.00 0.00 S ATOM 0 H CYS A 404 -5.142 -2.011 -0.377 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.399 -0.419 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.455 -0.282 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.031 0.122 -0.053 1.00 0.00 H new ATOM 344 N SER A 405 -1.620 -2.181 -1.863 1.00 0.00 N ATOM 345 CA SER A 405 -0.838 -3.392 -2.044 1.00 0.00 C ATOM 346 C SER A 405 0.644 -3.124 -1.807 1.00 0.00 C ATOM 347 O SER A 405 1.112 -1.993 -1.965 1.00 0.00 O ATOM 348 CB SER A 405 -1.062 -3.927 -3.456 1.00 0.00 C ATOM 349 OG SER A 405 -2.449 -4.015 -3.746 1.00 0.00 O ATOM 0 H SER A 405 -1.254 -1.364 -2.351 1.00 0.00 H new ATOM 0 HA SER A 405 -1.162 -4.136 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 405 -0.575 -3.273 -4.179 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.602 -4.910 -3.555 1.00 0.00 H new ATOM 0 HG SER A 405 -2.893 -4.557 -3.061 1.00 0.00 H new ATOM 355 N TRP A 406 1.365 -4.147 -1.367 1.00 0.00 N ATOM 356 CA TRP A 406 2.779 -4.002 -1.069 1.00 0.00 C ATOM 357 C TRP A 406 3.621 -4.088 -2.342 1.00 0.00 C ATOM 358 O TRP A 406 3.476 -5.009 -3.150 1.00 0.00 O ATOM 359 CB TRP A 406 3.227 -5.067 -0.068 1.00 0.00 C ATOM 360 CG TRP A 406 4.591 -4.812 0.505 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.714 -5.557 0.306 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.968 -3.754 1.395 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.767 -5.019 0.994 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.338 -3.917 1.675 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.286 -2.687 1.978 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.036 -3.050 2.510 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.979 -1.828 2.808 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.340 -2.014 3.067 1.00 0.00 C ATOM 0 H TRP A 406 0.993 -5.083 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 406 2.929 -3.017 -0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.503 -5.118 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.224 -6.040 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.766 -6.445 -0.307 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.720 -5.383 0.997 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.235 -2.535 1.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.088 -3.190 2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.460 -0.998 3.265 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.853 -1.324 3.721 1.00 0.00 H new ATOM 379 N HIS A 407 4.497 -3.113 -2.492 1.00 0.00 N ATOM 380 CA HIS A 407 5.409 -3.015 -3.621 1.00 0.00 C ATOM 381 C HIS A 407 6.826 -3.273 -3.118 1.00 0.00 C ATOM 382 O HIS A 407 7.409 -2.423 -2.449 1.00 0.00 O ATOM 383 CB HIS A 407 5.303 -1.603 -4.217 1.00 0.00 C ATOM 384 CG HIS A 407 6.042 -1.373 -5.505 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.319 -1.829 -5.744 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.698 -0.652 -6.598 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.724 -1.396 -6.921 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.763 -0.678 -7.464 1.00 0.00 N ATOM 0 H HIS A 407 4.598 -2.351 -1.821 1.00 0.00 H new ATOM 0 HA HIS A 407 5.160 -3.746 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.249 -1.378 -4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.670 -0.890 -3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.757 -0.148 -6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.687 -1.597 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.803 -0.219 -8.374 1.00 0.00 H new ATOM 397 N LYS A 408 7.318 -4.486 -3.308 1.00 0.00 N ATOM 398 CA LYS A 408 8.595 -4.879 -2.713 1.00 0.00 C ATOM 399 C LYS A 408 9.780 -4.186 -3.380 1.00 0.00 C ATOM 400 O LYS A 408 10.559 -3.504 -2.717 1.00 0.00 O ATOM 401 CB LYS A 408 8.782 -6.396 -2.783 1.00 0.00 C ATOM 402 CG LYS A 408 7.748 -7.173 -1.987 1.00 0.00 C ATOM 403 CD LYS A 408 8.052 -8.665 -1.954 1.00 0.00 C ATOM 404 CE LYS A 408 8.081 -9.275 -3.350 1.00 0.00 C ATOM 405 NZ LYS A 408 6.792 -9.097 -4.070 1.00 0.00 N ATOM 0 H LYS A 408 6.863 -5.212 -3.862 1.00 0.00 H new ATOM 0 HA LYS A 408 8.565 -4.564 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.738 -6.711 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.776 -6.649 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.712 -6.788 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.762 -7.014 -2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 408 9.014 -8.828 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.300 -9.175 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 408 8.884 -8.817 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.309 -10.338 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.805 -9.655 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.009 -9.420 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.659 -8.092 -4.301 1.00 0.00 H new ATOM 419 N GLU A 409 9.971 -4.443 -4.667 1.00 0.00 N ATOM 420 CA GLU A 409 11.138 -3.953 -5.377 1.00 0.00 C ATOM 421 C GLU A 409 10.958 -2.516 -5.860 1.00 0.00 C ATOM 422 O GLU A 409 10.985 -2.247 -7.062 1.00 0.00 O ATOM 423 CB GLU A 409 11.444 -4.878 -6.551 1.00 0.00 C ATOM 424 CG GLU A 409 11.756 -6.309 -6.132 1.00 0.00 C ATOM 425 CD GLU A 409 12.975 -6.420 -5.229 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.646 -5.395 -4.981 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.274 -7.541 -4.764 1.00 0.00 O ATOM 0 H GLU A 409 9.328 -4.990 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 409 11.978 -3.950 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.591 -4.884 -7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 409 12.292 -4.478 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.891 -6.726 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.917 -6.914 -7.024 1.00 0.00 H new ATOM 434 N VAL A 410 10.845 -1.588 -4.919 1.00 0.00 N ATOM 435 CA VAL A 410 10.759 -0.172 -5.256 1.00 0.00 C ATOM 436 C VAL A 410 12.093 0.333 -5.801 1.00 0.00 C ATOM 437 O VAL A 410 13.155 0.050 -5.241 1.00 0.00 O ATOM 438 CB VAL A 410 10.337 0.682 -4.043 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.878 0.430 -3.701 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.223 0.396 -2.839 1.00 0.00 C ATOM 0 H VAL A 410 10.811 -1.788 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 410 9.993 -0.071 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 410 10.458 1.732 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.595 1.040 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.254 0.693 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.738 -0.624 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.904 1.011 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.142 -0.657 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.259 0.629 -3.086 1.00 0.00 H new ATOM 450 N LYS A 411 12.048 0.999 -6.943 1.00 0.00 N ATOM 451 CA LYS A 411 13.256 1.455 -7.609 1.00 0.00 C ATOM 452 C LYS A 411 13.715 2.791 -7.027 1.00 0.00 C ATOM 453 O LYS A 411 13.901 3.768 -7.747 1.00 0.00 O ATOM 454 CB LYS A 411 12.996 1.548 -9.114 1.00 0.00 C ATOM 455 CG LYS A 411 14.211 1.256 -9.992 1.00 0.00 C ATOM 456 CD LYS A 411 15.226 2.385 -9.973 1.00 0.00 C ATOM 457 CE LYS A 411 16.405 2.090 -10.881 1.00 0.00 C ATOM 458 NZ LYS A 411 17.323 3.254 -10.986 1.00 0.00 N ATOM 0 H LYS A 411 11.184 1.237 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 411 14.062 0.740 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.200 0.850 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.631 2.549 -9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.688 0.337 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.882 1.085 -11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.746 3.312 -10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 411 15.580 2.540 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 411 16.952 1.228 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 411 16.042 1.822 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 18.116 3.015 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.807 4.069 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 17.689 3.494 -10.042 1.00 0.00 H new ATOM 472 N ALA A 412 13.929 2.785 -5.715 1.00 0.00 N ATOM 473 CA ALA A 412 14.444 3.939 -4.974 1.00 0.00 C ATOM 474 C ALA A 412 13.784 5.250 -5.399 1.00 0.00 C ATOM 475 O ALA A 412 14.412 6.101 -6.031 1.00 0.00 O ATOM 476 CB ALA A 412 15.952 4.013 -5.127 1.00 0.00 C ATOM 0 H ALA A 412 13.749 1.971 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 412 14.194 3.798 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.332 4.872 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.403 3.101 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.206 4.118 -6.182 1.00 0.00 H new ATOM 482 N GLY A 413 12.515 5.397 -5.067 1.00 0.00 N ATOM 483 CA GLY A 413 11.790 6.597 -5.436 1.00 0.00 C ATOM 484 C GLY A 413 10.296 6.410 -5.316 1.00 0.00 C ATOM 485 O GLY A 413 9.562 7.346 -5.011 1.00 0.00 O ATOM 0 H GLY A 413 11.970 4.708 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.105 7.423 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.041 6.872 -6.460 1.00 0.00 H new ATOM 489 N GLU A 414 9.854 5.184 -5.562 1.00 0.00 N ATOM 490 CA GLU A 414 8.446 4.834 -5.484 1.00 0.00 C ATOM 491 C GLU A 414 7.985 4.759 -4.029 1.00 0.00 C ATOM 492 O GLU A 414 8.553 5.412 -3.152 1.00 0.00 O ATOM 493 CB GLU A 414 8.234 3.487 -6.172 1.00 0.00 C ATOM 494 CG GLU A 414 8.852 3.418 -7.556 1.00 0.00 C ATOM 495 CD GLU A 414 8.730 2.048 -8.178 1.00 0.00 C ATOM 496 OE1 GLU A 414 7.598 1.641 -8.512 1.00 0.00 O ATOM 497 OE2 GLU A 414 9.763 1.369 -8.324 1.00 0.00 O ATOM 0 H GLU A 414 10.462 4.407 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 414 7.857 5.603 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.660 2.699 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.165 3.290 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.369 4.151 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.905 3.692 -7.494 1.00 0.00 H new ATOM 504 N LYS A 415 7.036 3.876 -3.758 1.00 0.00 N ATOM 505 CA LYS A 415 6.568 3.640 -2.400 1.00 0.00 C ATOM 506 C LYS A 415 6.194 2.181 -2.243 1.00 0.00 C ATOM 507 O LYS A 415 5.675 1.569 -3.178 1.00 0.00 O ATOM 508 CB LYS A 415 5.366 4.531 -2.068 1.00 0.00 C ATOM 509 CG LYS A 415 5.740 5.974 -1.770 1.00 0.00 C ATOM 510 CD LYS A 415 6.576 6.076 -0.504 1.00 0.00 C ATOM 511 CE LYS A 415 7.179 7.463 -0.339 1.00 0.00 C ATOM 512 NZ LYS A 415 8.143 7.784 -1.426 1.00 0.00 N ATOM 0 H LYS A 415 6.572 3.307 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 415 7.371 3.889 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.668 4.511 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.843 4.115 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.296 6.389 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.835 6.572 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.956 5.843 0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.373 5.333 -0.533 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.382 8.206 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.685 7.526 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 9.042 8.100 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.308 6.936 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.753 8.541 -2.023 1.00 0.00 H new ATOM 526 N ASN A 416 6.582 1.596 -1.119 1.00 0.00 N ATOM 527 CA ASN A 416 6.354 0.182 -0.894 1.00 0.00 C ATOM 528 C ASN A 416 4.876 -0.074 -0.660 1.00 0.00 C ATOM 529 O ASN A 416 4.235 -0.775 -1.427 1.00 0.00 O ATOM 530 CB ASN A 416 7.175 -0.335 0.292 1.00 0.00 C ATOM 531 CG ASN A 416 8.674 -0.199 0.084 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.203 0.906 -0.041 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.373 -1.323 0.054 1.00 0.00 N ATOM 0 H ASN A 416 7.054 2.078 -0.354 1.00 0.00 H new ATOM 0 HA ASN A 416 6.677 -0.358 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.888 0.211 1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.932 -1.383 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.384 -1.291 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.900 -2.221 0.161 1.00 0.00 H new ATOM 540 N CYS A 417 4.291 0.626 0.293 1.00 0.00 N ATOM 541 CA CYS A 417 2.853 0.566 0.450 1.00 0.00 C ATOM 542 C CYS A 417 2.220 1.639 -0.418 1.00 0.00 C ATOM 543 O CYS A 417 2.516 2.826 -0.261 1.00 0.00 O ATOM 544 CB CYS A 417 2.447 0.746 1.908 1.00 0.00 C ATOM 545 SG CYS A 417 0.694 0.377 2.230 1.00 0.00 S ATOM 0 H CYS A 417 4.777 1.230 0.956 1.00 0.00 H new ATOM 0 HA CYS A 417 2.501 -0.417 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.066 0.100 2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.654 1.773 2.210 1.00 0.00 H new ATOM 550 N GLN A 418 1.453 1.218 -1.406 1.00 0.00 N ATOM 551 CA GLN A 418 0.903 2.147 -2.374 1.00 0.00 C ATOM 552 C GLN A 418 -0.484 1.726 -2.831 1.00 0.00 C ATOM 553 O GLN A 418 -0.844 0.548 -2.773 1.00 0.00 O ATOM 554 CB GLN A 418 1.856 2.307 -3.567 1.00 0.00 C ATOM 555 CG GLN A 418 2.542 1.019 -4.004 1.00 0.00 C ATOM 556 CD GLN A 418 1.695 0.171 -4.930 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.366 0.584 -6.043 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.342 -1.022 -4.483 1.00 0.00 N ATOM 0 H GLN A 418 1.198 0.242 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 418 0.799 3.116 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.297 2.710 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.619 3.041 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.478 1.266 -4.505 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.798 0.434 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.635 -1.326 -3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.776 -1.638 -5.066 1.00 0.00 H new ATOM 567 N PHE A 419 -1.280 2.723 -3.178 1.00 0.00 N ATOM 568 CA PHE A 419 -2.663 2.525 -3.585 1.00 0.00 C ATOM 569 C PHE A 419 -2.728 1.668 -4.844 1.00 0.00 C ATOM 570 O PHE A 419 -2.065 1.972 -5.836 1.00 0.00 O ATOM 571 CB PHE A 419 -3.287 3.890 -3.856 1.00 0.00 C ATOM 572 CG PHE A 419 -4.784 3.920 -3.809 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.457 3.571 -2.654 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.514 4.322 -4.913 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.836 3.619 -2.600 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.893 4.377 -4.864 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.554 4.022 -3.707 1.00 0.00 C ATOM 0 H PHE A 419 -0.984 3.699 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.209 2.012 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.901 4.601 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.962 4.233 -4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.899 3.257 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.000 4.596 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.352 3.341 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.453 4.697 -5.730 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.633 4.059 -3.667 1.00 0.00 H new ATOM 587 N ASN A 420 -3.536 0.615 -4.814 1.00 0.00 N ATOM 588 CA ASN A 420 -3.678 -0.247 -5.982 1.00 0.00 C ATOM 589 C ASN A 420 -4.772 0.272 -6.904 1.00 0.00 C ATOM 590 O ASN A 420 -4.729 0.042 -8.111 1.00 0.00 O ATOM 591 CB ASN A 420 -3.926 -1.718 -5.602 1.00 0.00 C ATOM 592 CG ASN A 420 -5.151 -1.960 -4.732 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.242 -1.458 -5.000 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.982 -2.780 -3.708 1.00 0.00 N ATOM 0 H ASN A 420 -4.095 0.340 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.729 -0.218 -6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.028 -2.302 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.047 -2.096 -5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.772 -3.016 -3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.061 -3.176 -3.518 1.00 0.00 H new ATOM 601 N SER A 421 -5.722 0.999 -6.321 1.00 0.00 N ATOM 602 CA SER A 421 -6.828 1.606 -7.057 1.00 0.00 C ATOM 603 C SER A 421 -7.751 0.549 -7.664 1.00 0.00 C ATOM 604 O SER A 421 -7.389 -0.143 -8.619 1.00 0.00 O ATOM 605 CB SER A 421 -6.299 2.554 -8.145 1.00 0.00 C ATOM 606 OG SER A 421 -7.357 3.242 -8.794 1.00 0.00 O ATOM 0 H SER A 421 -5.746 1.185 -5.318 1.00 0.00 H new ATOM 0 HA SER A 421 -7.417 2.186 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.614 3.275 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.729 1.985 -8.879 1.00 0.00 H new ATOM 0 HG SER A 421 -6.988 3.838 -9.479 1.00 0.00 H new ATOM 612 N THR A 422 -8.984 0.522 -7.163 1.00 0.00 N ATOM 613 CA THR A 422 -10.048 -0.356 -7.662 1.00 0.00 C ATOM 614 C THR A 422 -9.590 -1.811 -7.805 1.00 0.00 C ATOM 615 O THR A 422 -9.986 -2.505 -8.743 1.00 0.00 O ATOM 616 CB THR A 422 -10.622 0.146 -9.009 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.602 0.188 -10.018 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.235 1.529 -8.852 1.00 0.00 C ATOM 0 H THR A 422 -9.279 1.116 -6.388 1.00 0.00 H new ATOM 0 HA THR A 422 -10.836 -0.324 -6.910 1.00 0.00 H new ATOM 0 HB THR A 422 -11.397 -0.556 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.801 -0.274 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.632 1.862 -9.811 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.041 1.489 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.471 2.229 -8.513 1.00 0.00 H new ATOM 626 N LYS A 423 -8.761 -2.270 -6.873 1.00 0.00 N ATOM 627 CA LYS A 423 -8.257 -3.630 -6.908 1.00 0.00 C ATOM 628 C LYS A 423 -8.340 -4.270 -5.528 1.00 0.00 C ATOM 629 O LYS A 423 -7.569 -5.175 -5.201 1.00 0.00 O ATOM 630 CB LYS A 423 -6.807 -3.642 -7.389 1.00 0.00 C ATOM 631 CG LYS A 423 -6.622 -3.262 -8.849 1.00 0.00 C ATOM 632 CD LYS A 423 -7.429 -4.158 -9.778 1.00 0.00 C ATOM 633 CE LYS A 423 -7.196 -3.800 -11.235 1.00 0.00 C ATOM 634 NZ LYS A 423 -7.397 -2.349 -11.490 1.00 0.00 N ATOM 0 H LYS A 423 -8.426 -1.716 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.873 -4.204 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.228 -2.955 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.394 -4.638 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.923 -2.224 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.566 -3.327 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -7.155 -5.200 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -8.490 -4.065 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -6.182 -4.081 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -7.875 -4.376 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -7.430 -2.178 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -8.292 -2.041 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.610 -1.811 -11.075 1.00 0.00 H new ATOM 648 N ALA A 424 -9.287 -3.805 -4.725 1.00 0.00 N ATOM 649 CA ALA A 424 -9.482 -4.355 -3.390 1.00 0.00 C ATOM 650 C ALA A 424 -10.110 -5.740 -3.472 1.00 0.00 C ATOM 651 O ALA A 424 -9.488 -6.737 -3.102 1.00 0.00 O ATOM 652 CB ALA A 424 -10.342 -3.427 -2.549 1.00 0.00 C ATOM 0 H ALA A 424 -9.929 -3.052 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.508 -4.446 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.476 -3.856 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.853 -2.457 -2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.315 -3.302 -3.024 1.00 0.00 H new