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 Set 1.1: A 405 SER OG : rot 180:sc= 0.816 USER MOD Set 1.2: A 423 LYS NZ :NH3+ -168:sc= 1.44 (180deg=0.784) USER MOD Single : A 384 SER OG : rot 31:sc= 0.11 USER MOD Single : A 390 ASN : amide:sc= -0.878! K(o=-0.88!,f=-0.26) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 4:sc= 1.04 USER MOD Single : A 397 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.18) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 407 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0511 (180deg=-0.29) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.133) USER MOD Single : A 416 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.3) USER MOD Single : A 418 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.28) USER MOD Single : A 420 ASN : amide:sc= -5.78! C(o=-5.8!,f=-2.7!) USER MOD Single : A 421 SER OG : rot -25:sc= 1.33 USER MOD Single : A 422 THR OG1 : rot -60:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -5.889 11.556 1.015 1.00 0.00 N ATOM 33 CA SER A 384 -5.438 10.973 -0.241 1.00 0.00 C ATOM 34 C SER A 384 -5.196 9.470 -0.098 1.00 0.00 C ATOM 35 O SER A 384 -4.518 9.027 0.832 1.00 0.00 O ATOM 36 CB SER A 384 -4.157 11.675 -0.697 1.00 0.00 C ATOM 37 OG SER A 384 -4.362 13.073 -0.825 1.00 0.00 O ATOM 0 HA SER A 384 -6.218 11.114 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.359 11.485 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 384 -3.832 11.262 -1.652 1.00 0.00 H new ATOM 0 HG SER A 384 -5.034 13.366 -0.174 1.00 0.00 H new ATOM 43 N PRO A 385 -5.794 8.670 -0.998 1.00 0.00 N ATOM 44 CA PRO A 385 -5.714 7.204 -0.956 1.00 0.00 C ATOM 45 C PRO A 385 -4.277 6.684 -0.987 1.00 0.00 C ATOM 46 O PRO A 385 -3.938 5.725 -0.287 1.00 0.00 O ATOM 47 CB PRO A 385 -6.476 6.755 -2.212 1.00 0.00 C ATOM 48 CG PRO A 385 -6.623 7.977 -3.053 1.00 0.00 C ATOM 49 CD PRO A 385 -6.654 9.132 -2.097 1.00 0.00 C ATOM 0 HA PRO A 385 -6.131 6.813 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -5.929 5.977 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.449 6.339 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -5.793 8.072 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -7.537 7.936 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.271 10.045 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.666 9.347 -1.755 1.00 0.00 H new ATOM 57 N GLU A 386 -3.427 7.349 -1.762 1.00 0.00 N ATOM 58 CA GLU A 386 -2.018 6.986 -1.836 1.00 0.00 C ATOM 59 C GLU A 386 -1.346 7.220 -0.487 1.00 0.00 C ATOM 60 O GLU A 386 -0.620 6.361 0.011 1.00 0.00 O ATOM 61 CB GLU A 386 -1.314 7.797 -2.932 1.00 0.00 C ATOM 62 CG GLU A 386 0.180 7.535 -3.036 1.00 0.00 C ATOM 63 CD GLU A 386 0.822 8.298 -4.176 1.00 0.00 C ATOM 64 OE1 GLU A 386 0.508 7.998 -5.349 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.632 9.213 -3.909 1.00 0.00 O ATOM 0 H GLU A 386 -3.690 8.142 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 386 -1.941 5.928 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -1.779 7.571 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.473 8.859 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.661 7.815 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 386 0.350 6.467 -3.176 1.00 0.00 H new ATOM 72 N ALA A 387 -1.659 8.357 0.129 1.00 0.00 N ATOM 73 CA ALA A 387 -1.120 8.706 1.439 1.00 0.00 C ATOM 74 C ALA A 387 -1.530 7.687 2.498 1.00 0.00 C ATOM 75 O ALA A 387 -0.727 7.318 3.359 1.00 0.00 O ATOM 76 CB ALA A 387 -1.576 10.100 1.840 1.00 0.00 C ATOM 0 H ALA A 387 -2.289 9.057 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.032 8.695 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.167 10.349 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.223 10.824 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.665 10.128 1.883 1.00 0.00 H new ATOM 82 N GLU A 388 -2.777 7.223 2.415 1.00 0.00 N ATOM 83 CA GLU A 388 -3.297 6.241 3.361 1.00 0.00 C ATOM 84 C GLU A 388 -2.441 4.982 3.354 1.00 0.00 C ATOM 85 O GLU A 388 -2.091 4.454 4.409 1.00 0.00 O ATOM 86 CB GLU A 388 -4.744 5.880 3.030 1.00 0.00 C ATOM 87 CG GLU A 388 -5.693 7.065 3.062 1.00 0.00 C ATOM 88 CD GLU A 388 -7.104 6.685 2.668 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.289 6.146 1.557 1.00 0.00 O ATOM 90 OE2 GLU A 388 -8.036 6.933 3.462 1.00 0.00 O ATOM 0 H GLU A 388 -3.445 7.513 1.701 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.264 6.687 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.778 5.426 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.092 5.128 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.701 7.493 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.326 7.839 2.388 1.00 0.00 H new ATOM 97 N CYS A 389 -2.076 4.527 2.166 1.00 0.00 N ATOM 98 CA CYS A 389 -1.218 3.367 2.037 1.00 0.00 C ATOM 99 C CYS A 389 0.222 3.726 2.409 1.00 0.00 C ATOM 100 O CYS A 389 0.903 2.974 3.103 1.00 0.00 O ATOM 101 CB CYS A 389 -1.279 2.832 0.604 1.00 0.00 C ATOM 102 SG CYS A 389 -2.960 2.409 0.028 1.00 0.00 S ATOM 0 H CYS A 389 -2.362 4.945 1.280 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.567 2.592 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -0.855 3.578 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.650 1.945 0.533 1.00 0.00 H new ATOM 107 N ASN A 390 0.668 4.895 1.958 1.00 0.00 N ATOM 108 CA ASN A 390 2.045 5.351 2.181 1.00 0.00 C ATOM 109 C ASN A 390 2.446 5.301 3.653 1.00 0.00 C ATOM 110 O ASN A 390 3.576 4.929 3.974 1.00 0.00 O ATOM 111 CB ASN A 390 2.235 6.782 1.664 1.00 0.00 C ATOM 112 CG ASN A 390 2.500 6.871 0.165 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.598 7.967 -0.384 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.640 5.737 -0.506 1.00 0.00 N ATOM 0 H ASN A 390 0.093 5.552 1.431 1.00 0.00 H new ATOM 0 HA ASN A 390 2.687 4.665 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.344 7.364 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.067 7.242 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.835 5.757 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.553 4.844 -0.021 1.00 0.00 H new ATOM 121 N LYS A 391 1.560 5.768 4.525 1.00 0.00 N ATOM 122 CA LYS A 391 1.868 5.897 5.948 1.00 0.00 C ATOM 123 C LYS A 391 2.072 4.541 6.630 1.00 0.00 C ATOM 124 O LYS A 391 2.647 4.476 7.716 1.00 0.00 O ATOM 125 CB LYS A 391 0.769 6.687 6.669 1.00 0.00 C ATOM 126 CG LYS A 391 -0.587 6.001 6.692 1.00 0.00 C ATOM 127 CD LYS A 391 -1.624 6.863 7.389 1.00 0.00 C ATOM 128 CE LYS A 391 -3.008 6.234 7.331 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.119 5.009 8.170 1.00 0.00 N ATOM 0 H LYS A 391 0.618 6.065 4.272 1.00 0.00 H new ATOM 0 HA LYS A 391 2.810 6.441 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.086 6.872 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.662 7.659 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.910 5.792 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.504 5.042 7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.335 7.011 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.652 7.848 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -3.748 6.963 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -3.246 5.984 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -4.081 4.622 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.433 4.300 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.920 5.249 9.162 1.00 0.00 H new ATOM 143 N ILE A 392 1.527 3.479 6.041 1.00 0.00 N ATOM 144 CA ILE A 392 1.591 2.152 6.648 1.00 0.00 C ATOM 145 C ILE A 392 3.037 1.712 6.870 1.00 0.00 C ATOM 146 O ILE A 392 3.437 1.434 7.998 1.00 0.00 O ATOM 147 CB ILE A 392 0.862 1.101 5.782 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.627 1.446 5.650 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.040 -0.291 6.367 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.351 1.545 6.976 1.00 0.00 C ATOM 0 H ILE A 392 1.038 3.511 5.147 1.00 0.00 H new ATOM 0 HA ILE A 392 1.090 2.222 7.614 1.00 0.00 H new ATOM 0 HB ILE A 392 1.304 1.113 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.725 2.394 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -1.113 0.687 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.519 -1.017 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.101 -0.538 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 392 0.627 -0.317 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.398 1.792 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -1.285 0.591 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.891 2.324 7.584 1.00 0.00 H new ATOM 162 N THR A 393 3.814 1.701 5.788 1.00 0.00 N ATOM 163 CA THR A 393 5.242 1.355 5.817 1.00 0.00 C ATOM 164 C THR A 393 5.490 -0.007 6.467 1.00 0.00 C ATOM 165 O THR A 393 6.540 -0.237 7.069 1.00 0.00 O ATOM 166 CB THR A 393 6.092 2.440 6.535 1.00 0.00 C ATOM 167 OG1 THR A 393 5.742 2.530 7.920 1.00 0.00 O ATOM 168 CG2 THR A 393 5.890 3.797 5.885 1.00 0.00 C ATOM 0 H THR A 393 3.471 1.934 4.856 1.00 0.00 H new ATOM 0 HA THR A 393 5.558 1.303 4.775 1.00 0.00 H new ATOM 0 HB THR A 393 7.138 2.147 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.076 1.844 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.494 4.542 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 393 6.193 3.748 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 393 4.838 4.077 5.946 1.00 0.00 H new ATOM 176 N GLU A 394 4.540 -0.922 6.292 1.00 0.00 N ATOM 177 CA GLU A 394 4.648 -2.273 6.840 1.00 0.00 C ATOM 178 C GLU A 394 3.893 -3.261 5.953 1.00 0.00 C ATOM 179 O GLU A 394 2.777 -2.979 5.518 1.00 0.00 O ATOM 180 CB GLU A 394 4.096 -2.319 8.269 1.00 0.00 C ATOM 181 CG GLU A 394 4.995 -1.634 9.286 1.00 0.00 C ATOM 182 CD GLU A 394 4.435 -1.656 10.688 1.00 0.00 C ATOM 183 OE1 GLU A 394 3.399 -1.007 10.935 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.034 -2.323 11.557 1.00 0.00 O ATOM 0 H GLU A 394 3.680 -0.751 5.771 1.00 0.00 H new ATOM 0 HA GLU A 394 5.701 -2.553 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.114 -1.846 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 394 3.954 -3.359 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.971 -2.120 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.154 -0.599 8.982 1.00 0.00 H new ATOM 191 N GLU A 395 4.556 -4.361 5.599 1.00 0.00 N ATOM 192 CA GLU A 395 4.022 -5.327 4.657 1.00 0.00 C ATOM 193 C GLU A 395 2.703 -5.949 5.136 1.00 0.00 C ATOM 194 O GLU A 395 1.715 -5.920 4.401 1.00 0.00 O ATOM 195 CB GLU A 395 5.057 -6.419 4.404 1.00 0.00 C ATOM 196 CG GLU A 395 6.460 -5.893 4.168 1.00 0.00 C ATOM 197 CD GLU A 395 7.442 -6.978 3.783 1.00 0.00 C ATOM 198 OE1 GLU A 395 7.294 -7.562 2.692 1.00 0.00 O ATOM 199 OE2 GLU A 395 8.377 -7.244 4.568 1.00 0.00 O ATOM 0 H GLU A 395 5.479 -4.602 5.961 1.00 0.00 H new ATOM 0 HA GLU A 395 3.804 -4.796 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.072 -7.096 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.749 -7.005 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 395 6.432 -5.140 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 395 6.812 -5.396 5.072 1.00 0.00 H new ATOM 206 N PRO A 396 2.658 -6.548 6.350 1.00 0.00 N ATOM 207 CA PRO A 396 1.446 -7.211 6.850 1.00 0.00 C ATOM 208 C PRO A 396 0.228 -6.292 6.854 1.00 0.00 C ATOM 209 O PRO A 396 -0.820 -6.634 6.303 1.00 0.00 O ATOM 210 CB PRO A 396 1.817 -7.612 8.279 1.00 0.00 C ATOM 211 CG PRO A 396 3.297 -7.740 8.256 1.00 0.00 C ATOM 212 CD PRO A 396 3.779 -6.682 7.308 1.00 0.00 C ATOM 0 HA PRO A 396 1.160 -8.051 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.495 -6.860 8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.342 -8.550 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.718 -7.596 9.251 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.599 -8.733 7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 396 3.983 -5.743 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.702 -6.979 6.809 1.00 0.00 H new ATOM 220 N LYS A 397 0.385 -5.106 7.431 1.00 0.00 N ATOM 221 CA LYS A 397 -0.706 -4.142 7.494 1.00 0.00 C ATOM 222 C LYS A 397 -1.122 -3.689 6.099 1.00 0.00 C ATOM 223 O LYS A 397 -2.307 -3.665 5.779 1.00 0.00 O ATOM 224 CB LYS A 397 -0.306 -2.933 8.338 1.00 0.00 C ATOM 225 CG LYS A 397 -0.157 -3.244 9.815 1.00 0.00 C ATOM 226 CD LYS A 397 0.411 -2.057 10.568 1.00 0.00 C ATOM 227 CE LYS A 397 0.638 -2.384 12.032 1.00 0.00 C ATOM 228 NZ LYS A 397 1.431 -1.331 12.714 1.00 0.00 N ATOM 0 H LYS A 397 1.255 -4.790 7.860 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.558 -4.635 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 397 0.637 -2.535 7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -1.055 -2.151 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -1.127 -3.513 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 397 0.496 -4.107 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 397 1.353 -1.752 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.272 -1.211 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -0.324 -2.497 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.155 -3.340 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 1.623 -1.621 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 2.331 -1.193 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.895 -0.440 12.716 1.00 0.00 H new ATOM 242 N CYS A 398 -0.142 -3.349 5.270 1.00 0.00 N ATOM 243 CA CYS A 398 -0.408 -2.884 3.910 1.00 0.00 C ATOM 244 C CYS A 398 -1.141 -3.946 3.099 1.00 0.00 C ATOM 245 O CYS A 398 -2.074 -3.643 2.357 1.00 0.00 O ATOM 246 CB CYS A 398 0.899 -2.511 3.209 1.00 0.00 C ATOM 247 SG CYS A 398 0.682 -1.742 1.574 1.00 0.00 S ATOM 0 H CYS A 398 0.847 -3.386 5.515 1.00 0.00 H new ATOM 0 HA CYS A 398 -1.044 -2.001 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.457 -1.827 3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.506 -3.409 3.097 1.00 0.00 H new ATOM 252 N SER A 399 -0.720 -5.192 3.259 1.00 0.00 N ATOM 253 CA SER A 399 -1.325 -6.305 2.548 1.00 0.00 C ATOM 254 C SER A 399 -2.775 -6.499 2.992 1.00 0.00 C ATOM 255 O SER A 399 -3.627 -6.919 2.209 1.00 0.00 O ATOM 256 CB SER A 399 -0.510 -7.578 2.790 1.00 0.00 C ATOM 257 OG SER A 399 -0.817 -8.576 1.828 1.00 0.00 O ATOM 0 H SER A 399 0.044 -5.457 3.880 1.00 0.00 H new ATOM 0 HA SER A 399 -1.325 -6.086 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.554 -7.345 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.714 -7.959 3.791 1.00 0.00 H new ATOM 0 HG SER A 399 -0.281 -9.377 2.005 1.00 0.00 H new ATOM 263 N GLU A 400 -3.049 -6.195 4.254 1.00 0.00 N ATOM 264 CA GLU A 400 -4.392 -6.326 4.801 1.00 0.00 C ATOM 265 C GLU A 400 -5.286 -5.155 4.403 1.00 0.00 C ATOM 266 O GLU A 400 -6.489 -5.332 4.188 1.00 0.00 O ATOM 267 CB GLU A 400 -4.343 -6.452 6.322 1.00 0.00 C ATOM 268 CG GLU A 400 -3.894 -7.822 6.791 1.00 0.00 C ATOM 269 CD GLU A 400 -4.753 -8.928 6.219 1.00 0.00 C ATOM 270 OE1 GLU A 400 -5.987 -8.879 6.395 1.00 0.00 O ATOM 271 OE2 GLU A 400 -4.202 -9.849 5.581 1.00 0.00 O ATOM 0 H GLU A 400 -2.355 -5.855 4.920 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.824 -7.234 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.665 -5.698 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.331 -6.241 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.856 -7.982 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -3.930 -7.862 7.880 1.00 0.00 H new ATOM 278 N GLU A 401 -4.708 -3.960 4.346 1.00 0.00 N ATOM 279 CA GLU A 401 -5.459 -2.759 3.999 1.00 0.00 C ATOM 280 C GLU A 401 -6.087 -2.884 2.620 1.00 0.00 C ATOM 281 O GLU A 401 -5.400 -3.193 1.645 1.00 0.00 O ATOM 282 CB GLU A 401 -4.551 -1.527 4.029 1.00 0.00 C ATOM 283 CG GLU A 401 -4.080 -1.137 5.417 1.00 0.00 C ATOM 284 CD GLU A 401 -5.230 -0.874 6.363 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.094 -0.035 6.036 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.269 -1.493 7.444 1.00 0.00 O ATOM 0 H GLU A 401 -3.719 -3.797 4.536 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.251 -2.644 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.680 -1.716 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -5.085 -0.685 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.454 -1.932 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.457 -0.245 5.349 1.00 0.00 H new ATOM 293 N LYS A 402 -7.380 -2.601 2.535 1.00 0.00 N ATOM 294 CA LYS A 402 -8.087 -2.629 1.262 1.00 0.00 C ATOM 295 C LYS A 402 -7.443 -1.653 0.282 1.00 0.00 C ATOM 296 O LYS A 402 -6.981 -0.587 0.686 1.00 0.00 O ATOM 297 CB LYS A 402 -9.582 -2.307 1.442 1.00 0.00 C ATOM 298 CG LYS A 402 -9.882 -0.913 1.995 1.00 0.00 C ATOM 299 CD LYS A 402 -9.702 -0.832 3.505 1.00 0.00 C ATOM 300 CE LYS A 402 -10.819 -1.547 4.256 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.127 -0.848 4.129 1.00 0.00 N ATOM 0 H LYS A 402 -7.961 -2.349 3.334 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.013 -3.638 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -10.080 -2.414 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.020 -3.048 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.226 -0.187 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.905 -0.637 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -8.743 -1.271 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -9.673 0.214 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.915 -2.564 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.553 -1.625 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.802 -1.248 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.999 0.166 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.495 -0.972 3.164 1.00 0.00 H new ATOM 315 N ILE A 403 -7.422 -2.032 -0.998 1.00 0.00 N ATOM 316 CA ILE A 403 -6.849 -1.214 -2.074 1.00 0.00 C ATOM 317 C ILE A 403 -5.318 -1.054 -1.969 1.00 0.00 C ATOM 318 O ILE A 403 -4.635 -1.051 -2.990 1.00 0.00 O ATOM 319 CB ILE A 403 -7.566 0.159 -2.157 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.029 0.430 -3.592 1.00 0.00 C ATOM 321 CG2 ILE A 403 -6.694 1.301 -1.647 1.00 0.00 C ATOM 322 CD1 ILE A 403 -6.922 0.359 -4.615 1.00 0.00 C ATOM 0 H ILE A 403 -7.804 -2.921 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.023 -1.752 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.437 0.110 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -8.802 -0.292 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.487 1.418 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -7.241 2.240 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -6.432 1.121 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -5.785 1.360 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -7.329 0.562 -5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.159 1.100 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.478 -0.636 -4.602 1.00 0.00 H new ATOM 334 N CYS A 404 -4.782 -0.963 -0.761 1.00 0.00 N ATOM 335 CA CYS A 404 -3.341 -0.865 -0.570 1.00 0.00 C ATOM 336 C CYS A 404 -2.666 -2.175 -0.963 1.00 0.00 C ATOM 337 O CYS A 404 -3.275 -3.244 -0.890 1.00 0.00 O ATOM 338 CB CYS A 404 -3.012 -0.514 0.884 1.00 0.00 C ATOM 339 SG CYS A 404 -3.651 1.107 1.425 1.00 0.00 S ATOM 0 H CYS A 404 -5.323 -0.955 0.103 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.962 -0.069 -1.211 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.420 -1.288 1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.930 -0.527 1.013 1.00 0.00 H new ATOM 344 N SER A 405 -1.439 -2.086 -1.445 1.00 0.00 N ATOM 345 CA SER A 405 -0.708 -3.262 -1.881 1.00 0.00 C ATOM 346 C SER A 405 0.783 -3.009 -1.747 1.00 0.00 C ATOM 347 O SER A 405 1.241 -1.874 -1.899 1.00 0.00 O ATOM 348 CB SER A 405 -1.072 -3.610 -3.328 1.00 0.00 C ATOM 349 OG SER A 405 -1.077 -5.014 -3.535 1.00 0.00 O ATOM 0 H SER A 405 -0.927 -1.209 -1.544 1.00 0.00 H new ATOM 0 HA SER A 405 -0.980 -4.110 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.054 -3.202 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.359 -3.143 -4.007 1.00 0.00 H new ATOM 0 HG SER A 405 -1.314 -5.207 -4.466 1.00 0.00 H new ATOM 355 N TRP A 406 1.512 -4.023 -1.308 1.00 0.00 N ATOM 356 CA TRP A 406 2.923 -3.857 -1.018 1.00 0.00 C ATOM 357 C TRP A 406 3.761 -3.886 -2.291 1.00 0.00 C ATOM 358 O TRP A 406 3.476 -4.627 -3.232 1.00 0.00 O ATOM 359 CB TRP A 406 3.407 -4.926 -0.039 1.00 0.00 C ATOM 360 CG TRP A 406 4.714 -4.575 0.608 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.911 -5.198 0.430 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.951 -3.523 1.550 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.878 -4.594 1.185 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.314 -3.568 1.889 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.144 -2.548 2.141 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.888 -2.676 2.790 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.716 -1.665 3.035 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.073 -1.735 3.353 1.00 0.00 C ATOM 0 H TRP A 406 1.151 -4.963 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 406 3.048 -2.878 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.652 -5.072 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.511 -5.874 -0.566 1.00 0.00 H new ATOM 0 HD1 TRP A 406 6.074 -6.048 -0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.861 -4.865 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.092 -2.486 1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.939 -2.726 3.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.102 -0.906 3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.488 -1.031 4.059 1.00 0.00 H new ATOM 379 N HIS A 407 4.758 -3.024 -2.322 1.00 0.00 N ATOM 380 CA HIS A 407 5.644 -2.869 -3.464 1.00 0.00 C ATOM 381 C HIS A 407 7.053 -3.289 -3.053 1.00 0.00 C ATOM 382 O HIS A 407 7.879 -2.441 -2.723 1.00 0.00 O ATOM 383 CB HIS A 407 5.620 -1.397 -3.894 1.00 0.00 C ATOM 384 CG HIS A 407 6.235 -1.082 -5.219 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.505 -1.463 -5.579 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.761 -0.339 -6.243 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.787 -0.967 -6.766 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.746 -0.283 -7.193 1.00 0.00 N ATOM 0 H HIS A 407 4.980 -2.402 -1.545 1.00 0.00 H new ATOM 0 HA HIS A 407 5.323 -3.492 -4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.583 -1.063 -3.911 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.132 -0.810 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.787 0.124 -6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.717 -1.099 -7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.683 0.208 -8.085 1.00 0.00 H new ATOM 397 N LYS A 408 7.249 -4.598 -2.895 1.00 0.00 N ATOM 398 CA LYS A 408 8.492 -5.147 -2.335 1.00 0.00 C ATOM 399 C LYS A 408 9.731 -4.607 -3.046 1.00 0.00 C ATOM 400 O LYS A 408 10.545 -3.906 -2.443 1.00 0.00 O ATOM 401 CB LYS A 408 8.483 -6.677 -2.414 1.00 0.00 C ATOM 402 CG LYS A 408 7.407 -7.333 -1.568 1.00 0.00 C ATOM 403 CD LYS A 408 7.405 -8.846 -1.726 1.00 0.00 C ATOM 404 CE LYS A 408 6.947 -9.268 -3.116 1.00 0.00 C ATOM 405 NZ LYS A 408 5.545 -8.854 -3.395 1.00 0.00 N ATOM 0 H LYS A 408 6.559 -5.306 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 408 8.539 -4.832 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.346 -6.976 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.457 -7.052 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.563 -7.078 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.431 -6.937 -1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.407 -9.232 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.749 -9.289 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.609 -8.830 -3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.030 -10.351 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.196 -9.356 -4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.945 -9.088 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.513 -7.829 -3.565 1.00 0.00 H new ATOM 419 N GLU A 409 9.861 -4.920 -4.329 1.00 0.00 N ATOM 420 CA GLU A 409 10.992 -4.447 -5.116 1.00 0.00 C ATOM 421 C GLU A 409 10.779 -2.991 -5.506 1.00 0.00 C ATOM 422 O GLU A 409 10.248 -2.699 -6.574 1.00 0.00 O ATOM 423 CB GLU A 409 11.182 -5.311 -6.367 1.00 0.00 C ATOM 424 CG GLU A 409 12.424 -4.960 -7.172 1.00 0.00 C ATOM 425 CD GLU A 409 13.699 -5.186 -6.392 1.00 0.00 C ATOM 426 OE1 GLU A 409 14.023 -6.357 -6.101 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.377 -4.196 -6.054 1.00 0.00 O ATOM 0 H GLU A 409 9.198 -5.498 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 409 11.894 -4.524 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.237 -6.358 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.305 -5.207 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.446 -5.561 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.370 -3.916 -7.481 1.00 0.00 H new ATOM 434 N VAL A 410 11.070 -2.090 -4.581 1.00 0.00 N ATOM 435 CA VAL A 410 10.814 -0.674 -4.794 1.00 0.00 C ATOM 436 C VAL A 410 11.640 -0.106 -5.940 1.00 0.00 C ATOM 437 O VAL A 410 12.864 -0.234 -5.973 1.00 0.00 O ATOM 438 CB VAL A 410 11.073 0.160 -3.527 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.950 -0.035 -2.532 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.413 -0.193 -2.898 1.00 0.00 C ATOM 0 H VAL A 410 11.483 -2.314 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 410 9.757 -0.604 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 410 11.108 1.211 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 410 10.146 0.561 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 410 9.008 0.282 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.886 -1.088 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 410 12.567 0.413 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.420 -1.248 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.213 0.003 -3.612 1.00 0.00 H new ATOM 450 N LYS A 411 10.959 0.600 -6.826 1.00 0.00 N ATOM 451 CA LYS A 411 11.605 1.316 -7.909 1.00 0.00 C ATOM 452 C LYS A 411 12.093 2.659 -7.385 1.00 0.00 C ATOM 453 O LYS A 411 11.506 3.197 -6.445 1.00 0.00 O ATOM 454 CB LYS A 411 10.615 1.513 -9.061 1.00 0.00 C ATOM 455 CG LYS A 411 11.206 2.211 -10.276 1.00 0.00 C ATOM 456 CD LYS A 411 10.179 2.369 -11.384 1.00 0.00 C ATOM 457 CE LYS A 411 9.656 1.023 -11.864 1.00 0.00 C ATOM 458 NZ LYS A 411 8.662 1.172 -12.958 1.00 0.00 N ATOM 0 H LYS A 411 9.943 0.692 -6.814 1.00 0.00 H new ATOM 0 HA LYS A 411 12.455 0.746 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.231 0.540 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.765 2.092 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 411 11.583 3.192 -9.986 1.00 0.00 H new ATOM 0 HG3 LYS A 411 12.057 1.640 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.347 2.975 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.627 2.905 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.490 0.413 -12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 411 9.199 0.492 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.331 0.232 -13.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.854 1.733 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.104 1.656 -13.766 1.00 0.00 H new ATOM 472 N ALA A 412 13.190 3.165 -7.935 1.00 0.00 N ATOM 473 CA ALA A 412 13.746 4.437 -7.491 1.00 0.00 C ATOM 474 C ALA A 412 12.690 5.534 -7.578 1.00 0.00 C ATOM 475 O ALA A 412 11.975 5.637 -8.574 1.00 0.00 O ATOM 476 CB ALA A 412 14.968 4.799 -8.320 1.00 0.00 C ATOM 0 H ALA A 412 13.711 2.715 -8.688 1.00 0.00 H new ATOM 0 HA ALA A 412 14.056 4.340 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.372 5.751 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.725 4.023 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 412 14.684 4.883 -9.369 1.00 0.00 H new ATOM 482 N GLY A 413 12.530 6.287 -6.501 1.00 0.00 N ATOM 483 CA GLY A 413 11.502 7.313 -6.461 1.00 0.00 C ATOM 484 C GLY A 413 10.187 6.803 -5.896 1.00 0.00 C ATOM 485 O GLY A 413 9.497 7.522 -5.170 1.00 0.00 O ATOM 0 H GLY A 413 13.091 6.209 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.853 8.150 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.336 7.695 -7.468 1.00 0.00 H new ATOM 489 N GLU A 414 9.844 5.562 -6.218 1.00 0.00 N ATOM 490 CA GLU A 414 8.614 4.945 -5.730 1.00 0.00 C ATOM 491 C GLU A 414 8.700 4.633 -4.236 1.00 0.00 C ATOM 492 O GLU A 414 9.661 5.009 -3.559 1.00 0.00 O ATOM 493 CB GLU A 414 8.323 3.661 -6.512 1.00 0.00 C ATOM 494 CG GLU A 414 7.861 3.907 -7.940 1.00 0.00 C ATOM 495 CD GLU A 414 6.472 4.512 -8.010 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.288 5.663 -7.560 1.00 0.00 O ATOM 497 OE2 GLU A 414 5.548 3.828 -8.499 1.00 0.00 O ATOM 0 H GLU A 414 10.404 4.958 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 414 7.802 5.656 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.223 3.046 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.558 3.091 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.568 4.572 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.870 2.965 -8.488 1.00 0.00 H new ATOM 504 N LYS A 415 7.707 3.917 -3.731 1.00 0.00 N ATOM 505 CA LYS A 415 7.662 3.554 -2.328 1.00 0.00 C ATOM 506 C LYS A 415 7.069 2.169 -2.163 1.00 0.00 C ATOM 507 O LYS A 415 6.731 1.508 -3.145 1.00 0.00 O ATOM 508 CB LYS A 415 6.846 4.571 -1.540 1.00 0.00 C ATOM 509 CG LYS A 415 7.297 4.699 -0.098 1.00 0.00 C ATOM 510 CD LYS A 415 6.306 5.488 0.727 1.00 0.00 C ATOM 511 CE LYS A 415 6.080 6.885 0.160 1.00 0.00 C ATOM 512 NZ LYS A 415 7.344 7.667 0.061 1.00 0.00 N ATOM 0 H LYS A 415 6.917 3.575 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 415 8.680 3.549 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.920 5.544 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.795 4.282 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 415 7.422 3.706 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 415 8.271 5.187 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.357 4.953 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.668 5.566 1.752 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.627 6.805 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.372 7.421 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.125 8.650 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.834 7.653 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.957 7.245 -0.665 1.00 0.00 H new ATOM 526 N ASN A 416 7.073 1.691 -0.932 1.00 0.00 N ATOM 527 CA ASN A 416 6.651 0.329 -0.643 1.00 0.00 C ATOM 528 C ASN A 416 5.130 0.202 -0.616 1.00 0.00 C ATOM 529 O ASN A 416 4.535 -0.338 -1.536 1.00 0.00 O ATOM 530 CB ASN A 416 7.238 -0.158 0.680 1.00 0.00 C ATOM 531 CG ASN A 416 8.746 -0.318 0.633 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.487 0.666 0.612 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.209 -1.560 0.596 1.00 0.00 N ATOM 0 H ASN A 416 7.364 2.226 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 416 7.030 -0.299 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.977 0.547 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.784 -1.113 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.214 -1.728 0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.560 -2.347 0.615 1.00 0.00 H new ATOM 540 N CYS A 417 4.484 0.731 0.403 1.00 0.00 N ATOM 541 CA CYS A 417 3.033 0.686 0.427 1.00 0.00 C ATOM 542 C CYS A 417 2.489 1.870 -0.351 1.00 0.00 C ATOM 543 O CYS A 417 2.832 3.020 -0.067 1.00 0.00 O ATOM 544 CB CYS A 417 2.494 0.680 1.855 1.00 0.00 C ATOM 545 SG CYS A 417 0.727 0.244 1.973 1.00 0.00 S ATOM 0 H CYS A 417 4.923 1.185 1.204 1.00 0.00 H new ATOM 0 HA CYS A 417 2.702 -0.242 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.073 -0.027 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.646 1.666 2.295 1.00 0.00 H new ATOM 550 N GLN A 418 1.740 1.578 -1.399 1.00 0.00 N ATOM 551 CA GLN A 418 1.258 2.611 -2.301 1.00 0.00 C ATOM 552 C GLN A 418 -0.113 2.255 -2.851 1.00 0.00 C ATOM 553 O GLN A 418 -0.574 1.120 -2.697 1.00 0.00 O ATOM 554 CB GLN A 418 2.266 2.843 -3.439 1.00 0.00 C ATOM 555 CG GLN A 418 2.916 1.578 -3.994 1.00 0.00 C ATOM 556 CD GLN A 418 1.966 0.694 -4.779 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.446 1.089 -5.823 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.740 -0.510 -4.284 1.00 0.00 N ATOM 0 H GLN A 418 1.451 0.632 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 418 1.159 3.539 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.759 3.360 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 418 3.051 3.508 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.749 1.861 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.333 1.003 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.192 -0.797 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.114 -1.152 -4.770 1.00 0.00 H new ATOM 567 N PHE A 419 -0.794 3.246 -3.412 1.00 0.00 N ATOM 568 CA PHE A 419 -2.130 3.035 -3.940 1.00 0.00 C ATOM 569 C PHE A 419 -2.068 2.097 -5.135 1.00 0.00 C ATOM 570 O PHE A 419 -1.507 2.431 -6.176 1.00 0.00 O ATOM 571 CB PHE A 419 -2.770 4.364 -4.348 1.00 0.00 C ATOM 572 CG PHE A 419 -4.251 4.268 -4.601 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.098 3.789 -3.620 1.00 0.00 C ATOM 574 CD2 PHE A 419 -4.795 4.661 -5.813 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.462 3.700 -3.845 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.155 4.570 -6.043 1.00 0.00 C ATOM 577 CZ PHE A 419 -6.988 4.092 -5.056 1.00 0.00 C ATOM 0 H PHE A 419 -0.443 4.198 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.745 2.586 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.591 5.100 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.279 4.732 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.692 3.481 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.148 5.044 -6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.113 3.323 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.564 4.873 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.052 4.025 -5.231 1.00 0.00 H new ATOM 587 N ASN A 420 -2.614 0.907 -4.954 1.00 0.00 N ATOM 588 CA ASN A 420 -2.608 -0.114 -5.994 1.00 0.00 C ATOM 589 C ASN A 420 -3.559 0.271 -7.122 1.00 0.00 C ATOM 590 O ASN A 420 -3.307 -0.014 -8.293 1.00 0.00 O ATOM 591 CB ASN A 420 -3.000 -1.458 -5.384 1.00 0.00 C ATOM 592 CG ASN A 420 -3.397 -2.493 -6.400 1.00 0.00 C ATOM 593 OD1 ASN A 420 -2.681 -2.769 -7.358 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.541 -3.093 -6.160 1.00 0.00 N ATOM 0 H ASN A 420 -3.072 0.620 -4.089 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.607 -0.197 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.163 -1.839 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.828 -1.305 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.873 -3.827 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -5.097 -2.824 -5.348 1.00 0.00 H new ATOM 601 N SER A 421 -4.613 0.986 -6.748 1.00 0.00 N ATOM 602 CA SER A 421 -5.595 1.520 -7.688 1.00 0.00 C ATOM 603 C SER A 421 -6.378 0.409 -8.394 1.00 0.00 C ATOM 604 O SER A 421 -6.940 0.633 -9.466 1.00 0.00 O ATOM 605 CB SER A 421 -4.913 2.417 -8.731 1.00 0.00 C ATOM 606 OG SER A 421 -3.891 3.209 -8.148 1.00 0.00 O ATOM 0 H SER A 421 -4.813 1.215 -5.774 1.00 0.00 H new ATOM 0 HA SER A 421 -6.302 2.112 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.489 1.799 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.656 3.065 -9.196 1.00 0.00 H new ATOM 0 HG SER A 421 -4.075 3.329 -7.193 1.00 0.00 H new ATOM 612 N THR A 422 -6.460 -0.772 -7.775 1.00 0.00 N ATOM 613 CA THR A 422 -7.211 -1.877 -8.362 1.00 0.00 C ATOM 614 C THR A 422 -7.190 -3.130 -7.462 1.00 0.00 C ATOM 615 O THR A 422 -6.764 -4.211 -7.874 1.00 0.00 O ATOM 616 CB THR A 422 -6.688 -2.209 -9.791 1.00 0.00 C ATOM 617 OG1 THR A 422 -7.476 -3.242 -10.397 1.00 0.00 O ATOM 618 CG2 THR A 422 -5.218 -2.619 -9.777 1.00 0.00 C ATOM 0 H THR A 422 -6.021 -0.983 -6.879 1.00 0.00 H new ATOM 0 HA THR A 422 -8.249 -1.555 -8.444 1.00 0.00 H new ATOM 0 HB THR A 422 -6.779 -1.298 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.435 -4.051 -9.845 1.00 0.00 H new ATOM 0 HG21 THR A 422 -4.893 -2.842 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 422 -4.617 -1.804 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 422 -5.093 -3.504 -9.154 1.00 0.00 H new ATOM 626 N LYS A 423 -7.741 -3.014 -6.259 1.00 0.00 N ATOM 627 CA LYS A 423 -7.873 -4.173 -5.375 1.00 0.00 C ATOM 628 C LYS A 423 -9.049 -3.997 -4.428 1.00 0.00 C ATOM 629 O LYS A 423 -9.984 -4.802 -4.430 1.00 0.00 O ATOM 630 CB LYS A 423 -6.607 -4.403 -4.538 1.00 0.00 C ATOM 631 CG LYS A 423 -6.649 -5.705 -3.745 1.00 0.00 C ATOM 632 CD LYS A 423 -5.640 -5.728 -2.607 1.00 0.00 C ATOM 633 CE LYS A 423 -4.208 -5.832 -3.105 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.240 -5.937 -1.981 1.00 0.00 N ATOM 0 H LYS A 423 -8.101 -2.141 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.034 -5.038 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.739 -4.412 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.476 -3.568 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -7.651 -5.848 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.454 -6.542 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -5.749 -4.823 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.856 -6.571 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.110 -6.704 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.969 -4.958 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.274 -5.802 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.451 -5.206 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -3.318 -6.877 -1.543 1.00 0.00 H new ATOM 648 N ALA A 424 -8.957 -2.971 -3.586 1.00 0.00 N ATOM 649 CA ALA A 424 -9.957 -2.698 -2.562 1.00 0.00 C ATOM 650 C ALA A 424 -10.198 -3.933 -1.697 1.00 0.00 C ATOM 651 O ALA A 424 -9.242 -4.563 -1.239 1.00 0.00 O ATOM 652 CB ALA A 424 -11.235 -2.197 -3.193 1.00 0.00 C ATOM 0 H ALA A 424 -8.184 -2.305 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.582 -1.912 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -11.971 -1.998 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -11.033 -1.279 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.624 -2.952 -3.876 1.00 0.00 H new