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 405 SER OG : rot -177:sc= 0.016 USER MOD Set 1.2: A 423 LYS NZ :NH3+ 172:sc= 0.0166 (180deg=0) USER MOD Single : A 384 SER OG : rot 22:sc= 0.148 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.911 F(o=-3.8!,f=-0.91) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot -39:sc= 1.08 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 163:sc= -0.0504 (180deg=-0.365) USER MOD Single : A 407 HIS : +bothHN:sc= 0.396 K(o=0.4,f=-3.7!) USER MOD Single : A 408 LYS NZ :NH3+ -114:sc= 1.09 (180deg=-0.22) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ 166:sc=-0.00399 (180deg=-0.184) USER MOD Single : A 416 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1.8) USER MOD Single : A 418 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.045) USER MOD Single : A 420 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.7!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -7.893 10.669 1.396 1.00 0.00 N ATOM 33 CA SER A 384 -6.912 10.364 0.370 1.00 0.00 C ATOM 34 C SER A 384 -6.422 8.923 0.529 1.00 0.00 C ATOM 35 O SER A 384 -5.751 8.594 1.509 1.00 0.00 O ATOM 36 CB SER A 384 -5.746 11.343 0.475 1.00 0.00 C ATOM 37 OG SER A 384 -6.207 12.686 0.447 1.00 0.00 O ATOM 0 HA SER A 384 -7.369 10.465 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.196 11.162 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.051 11.176 -0.348 1.00 0.00 H new ATOM 0 HG SER A 384 -7.150 12.714 0.713 1.00 0.00 H new ATOM 43 N PRO A 385 -6.789 8.033 -0.410 1.00 0.00 N ATOM 44 CA PRO A 385 -6.438 6.613 -0.333 1.00 0.00 C ATOM 45 C PRO A 385 -4.966 6.362 -0.626 1.00 0.00 C ATOM 46 O PRO A 385 -4.321 5.554 0.037 1.00 0.00 O ATOM 47 CB PRO A 385 -7.317 5.944 -1.396 1.00 0.00 C ATOM 48 CG PRO A 385 -8.260 6.995 -1.880 1.00 0.00 C ATOM 49 CD PRO A 385 -7.620 8.322 -1.584 1.00 0.00 C ATOM 0 HA PRO A 385 -6.603 6.220 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.711 5.558 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.860 5.098 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.446 6.885 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -9.224 6.910 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.023 8.678 -2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.364 9.091 -1.373 1.00 0.00 H new ATOM 57 N GLU A 386 -4.423 7.102 -1.582 1.00 0.00 N ATOM 58 CA GLU A 386 -3.012 6.994 -1.905 1.00 0.00 C ATOM 59 C GLU A 386 -2.185 7.384 -0.688 1.00 0.00 C ATOM 60 O GLU A 386 -1.326 6.630 -0.237 1.00 0.00 O ATOM 61 CB GLU A 386 -2.673 7.889 -3.103 1.00 0.00 C ATOM 62 CG GLU A 386 -1.220 7.824 -3.538 1.00 0.00 C ATOM 63 CD GLU A 386 -0.849 6.491 -4.146 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.363 6.158 -5.236 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.034 5.769 -3.541 1.00 0.00 O ATOM 0 H GLU A 386 -4.937 7.780 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.778 5.964 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.305 7.605 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.920 8.921 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -1.027 8.615 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.579 8.017 -2.678 1.00 0.00 H new ATOM 72 N ALA A 387 -2.527 8.524 -0.106 1.00 0.00 N ATOM 73 CA ALA A 387 -1.848 9.019 1.083 1.00 0.00 C ATOM 74 C ALA A 387 -1.961 8.052 2.261 1.00 0.00 C ATOM 75 O ALA A 387 -0.978 7.816 2.962 1.00 0.00 O ATOM 76 CB ALA A 387 -2.398 10.383 1.467 1.00 0.00 C ATOM 0 H ALA A 387 -3.277 9.128 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.789 9.107 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.884 10.745 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -2.240 11.083 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.465 10.300 1.673 1.00 0.00 H new ATOM 82 N GLU A 388 -3.161 7.529 2.507 1.00 0.00 N ATOM 83 CA GLU A 388 -3.379 6.660 3.660 1.00 0.00 C ATOM 84 C GLU A 388 -2.516 5.401 3.566 1.00 0.00 C ATOM 85 O GLU A 388 -1.865 5.013 4.537 1.00 0.00 O ATOM 86 CB GLU A 388 -4.865 6.305 3.825 1.00 0.00 C ATOM 87 CG GLU A 388 -5.397 5.258 2.864 1.00 0.00 C ATOM 88 CD GLU A 388 -6.841 4.899 3.149 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.719 5.776 3.021 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.109 3.744 3.530 1.00 0.00 O ATOM 0 H GLU A 388 -3.987 7.689 1.931 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.075 7.210 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.025 5.953 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.453 7.215 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.312 5.628 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.782 4.361 2.930 1.00 0.00 H new ATOM 97 N CYS A 389 -2.451 4.814 2.379 1.00 0.00 N ATOM 98 CA CYS A 389 -1.606 3.653 2.155 1.00 0.00 C ATOM 99 C CYS A 389 -0.127 4.043 2.209 1.00 0.00 C ATOM 100 O CYS A 389 0.696 3.291 2.720 1.00 0.00 O ATOM 101 CB CYS A 389 -1.925 3.005 0.804 1.00 0.00 C ATOM 102 SG CYS A 389 -3.648 2.438 0.599 1.00 0.00 S ATOM 0 H CYS A 389 -2.973 5.123 1.559 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.808 2.932 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.699 3.721 0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.260 2.153 0.662 1.00 0.00 H new ATOM 107 N ASN A 390 0.204 5.233 1.710 1.00 0.00 N ATOM 108 CA ASN A 390 1.591 5.716 1.730 1.00 0.00 C ATOM 109 C ASN A 390 2.119 5.808 3.155 1.00 0.00 C ATOM 110 O ASN A 390 3.324 5.689 3.388 1.00 0.00 O ATOM 111 CB ASN A 390 1.724 7.079 1.040 1.00 0.00 C ATOM 112 CG ASN A 390 1.620 6.991 -0.472 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.453 5.785 -0.992 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 1.700 8.004 -1.171 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.462 5.880 1.288 1.00 0.00 H new ATOM 0 HA ASN A 390 2.188 4.991 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 390 0.948 7.747 1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.683 7.524 1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.829 8.916 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 390 1.637 7.929 -2.186 1.00 0.00 H new ATOM 121 N LYS A 391 1.213 6.000 4.103 1.00 0.00 N ATOM 122 CA LYS A 391 1.575 6.057 5.511 1.00 0.00 C ATOM 123 C LYS A 391 2.075 4.701 6.005 1.00 0.00 C ATOM 124 O LYS A 391 2.967 4.637 6.847 1.00 0.00 O ATOM 125 CB LYS A 391 0.385 6.510 6.357 1.00 0.00 C ATOM 126 CG LYS A 391 -0.074 7.924 6.055 1.00 0.00 C ATOM 127 CD LYS A 391 -1.289 8.298 6.885 1.00 0.00 C ATOM 128 CE LYS A 391 -1.756 9.711 6.582 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.949 10.082 7.388 1.00 0.00 N ATOM 0 H LYS A 391 0.217 6.119 3.921 1.00 0.00 H new ATOM 0 HA LYS A 391 2.381 6.783 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.447 5.825 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.653 6.442 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.737 8.623 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.313 8.013 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -2.098 7.595 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.048 8.213 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -0.947 10.413 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.993 9.796 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -3.238 11.053 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -3.729 9.428 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -2.716 10.025 8.400 1.00 0.00 H new ATOM 143 N ILE A 392 1.508 3.621 5.472 1.00 0.00 N ATOM 144 CA ILE A 392 1.917 2.277 5.863 1.00 0.00 C ATOM 145 C ILE A 392 3.372 2.027 5.476 1.00 0.00 C ATOM 146 O ILE A 392 3.813 2.425 4.395 1.00 0.00 O ATOM 147 CB ILE A 392 1.054 1.191 5.198 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.436 1.532 5.270 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.316 -0.141 5.878 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.252 0.877 4.193 1.00 0.00 C ATOM 0 H ILE A 392 0.767 3.651 4.771 1.00 0.00 H new ATOM 0 HA ILE A 392 1.790 2.218 6.944 1.00 0.00 H new ATOM 0 HB ILE A 392 1.327 1.132 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.823 1.230 6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.557 2.613 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.707 -0.914 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.370 -0.400 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.060 -0.067 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.298 1.162 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.890 1.198 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -1.161 -0.206 4.275 1.00 0.00 H new ATOM 162 N THR A 393 4.120 1.380 6.360 1.00 0.00 N ATOM 163 CA THR A 393 5.528 1.120 6.110 1.00 0.00 C ATOM 164 C THR A 393 5.897 -0.321 6.480 1.00 0.00 C ATOM 165 O THR A 393 7.071 -0.648 6.676 1.00 0.00 O ATOM 166 CB THR A 393 6.410 2.123 6.892 1.00 0.00 C ATOM 167 OG1 THR A 393 7.801 1.885 6.638 1.00 0.00 O ATOM 168 CG2 THR A 393 6.137 2.035 8.386 1.00 0.00 C ATOM 0 H THR A 393 3.775 1.027 7.253 1.00 0.00 H new ATOM 0 HA THR A 393 5.712 1.251 5.044 1.00 0.00 H new ATOM 0 HB THR A 393 6.156 3.125 6.547 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.965 0.920 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.769 2.749 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.089 2.266 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.357 1.027 8.737 1.00 0.00 H new ATOM 176 N GLU A 394 4.906 -1.208 6.443 1.00 0.00 N ATOM 177 CA GLU A 394 5.138 -2.629 6.678 1.00 0.00 C ATOM 178 C GLU A 394 4.292 -3.460 5.716 1.00 0.00 C ATOM 179 O GLU A 394 3.127 -3.143 5.483 1.00 0.00 O ATOM 180 CB GLU A 394 4.806 -3.001 8.128 1.00 0.00 C ATOM 181 CG GLU A 394 5.647 -2.260 9.160 1.00 0.00 C ATOM 182 CD GLU A 394 5.387 -2.713 10.584 1.00 0.00 C ATOM 183 OE1 GLU A 394 4.647 -3.696 10.780 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.939 -2.095 11.517 1.00 0.00 O ATOM 0 H GLU A 394 3.934 -0.967 6.252 1.00 0.00 H new ATOM 0 HA GLU A 394 6.193 -2.841 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.752 -2.793 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.948 -4.074 8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.702 -2.402 8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.445 -1.192 9.083 1.00 0.00 H new ATOM 191 N GLU A 395 4.905 -4.485 5.124 1.00 0.00 N ATOM 192 CA GLU A 395 4.244 -5.345 4.142 1.00 0.00 C ATOM 193 C GLU A 395 2.948 -5.951 4.712 1.00 0.00 C ATOM 194 O GLU A 395 1.881 -5.779 4.118 1.00 0.00 O ATOM 195 CB GLU A 395 5.222 -6.449 3.700 1.00 0.00 C ATOM 196 CG GLU A 395 4.944 -7.086 2.333 1.00 0.00 C ATOM 197 CD GLU A 395 3.586 -7.754 2.198 1.00 0.00 C ATOM 198 OE1 GLU A 395 3.225 -8.576 3.066 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.895 -7.495 1.188 1.00 0.00 O ATOM 0 H GLU A 395 5.874 -4.743 5.312 1.00 0.00 H new ATOM 0 HA GLU A 395 3.962 -4.745 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.228 -6.031 3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.215 -7.236 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 395 5.031 -6.316 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.718 -7.826 2.130 1.00 0.00 H new ATOM 206 N PRO A 396 2.999 -6.639 5.883 1.00 0.00 N ATOM 207 CA PRO A 396 1.807 -7.254 6.480 1.00 0.00 C ATOM 208 C PRO A 396 0.701 -6.240 6.755 1.00 0.00 C ATOM 209 O PRO A 396 -0.467 -6.486 6.445 1.00 0.00 O ATOM 210 CB PRO A 396 2.318 -7.845 7.798 1.00 0.00 C ATOM 211 CG PRO A 396 3.779 -8.016 7.599 1.00 0.00 C ATOM 212 CD PRO A 396 4.201 -6.889 6.706 1.00 0.00 C ATOM 0 HA PRO A 396 1.363 -7.991 5.811 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.109 -7.181 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.835 -8.797 8.018 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.310 -7.982 8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.002 -8.981 7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.487 -6.007 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.059 -7.162 6.092 1.00 0.00 H new ATOM 220 N LYS A 397 1.075 -5.099 7.321 1.00 0.00 N ATOM 221 CA LYS A 397 0.111 -4.052 7.632 1.00 0.00 C ATOM 222 C LYS A 397 -0.491 -3.468 6.361 1.00 0.00 C ATOM 223 O LYS A 397 -1.706 -3.343 6.247 1.00 0.00 O ATOM 224 CB LYS A 397 0.760 -2.939 8.459 1.00 0.00 C ATOM 225 CG LYS A 397 1.091 -3.347 9.883 1.00 0.00 C ATOM 226 CD LYS A 397 1.574 -2.158 10.696 1.00 0.00 C ATOM 227 CE LYS A 397 1.835 -2.540 12.141 1.00 0.00 C ATOM 228 NZ LYS A 397 2.279 -1.375 12.951 1.00 0.00 N ATOM 0 H LYS A 397 2.038 -4.876 7.574 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.687 -4.505 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.675 -2.616 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.090 -2.080 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.209 -3.779 10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.859 -4.121 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.487 -1.760 10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.829 -1.363 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.927 -2.959 12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.596 -3.320 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 2.447 -1.678 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 3.159 -0.990 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.542 -0.641 12.937 1.00 0.00 H new ATOM 242 N CYS A 398 0.364 -3.140 5.401 1.00 0.00 N ATOM 243 CA CYS A 398 -0.076 -2.557 4.134 1.00 0.00 C ATOM 244 C CYS A 398 -1.046 -3.492 3.427 1.00 0.00 C ATOM 245 O CYS A 398 -2.080 -3.069 2.913 1.00 0.00 O ATOM 246 CB CYS A 398 1.139 -2.300 3.238 1.00 0.00 C ATOM 247 SG CYS A 398 0.759 -1.521 1.636 1.00 0.00 S ATOM 0 H CYS A 398 1.373 -3.268 5.474 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.585 -1.615 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.842 -1.665 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.644 -3.248 3.054 1.00 0.00 H new ATOM 252 N SER A 399 -0.705 -4.773 3.440 1.00 0.00 N ATOM 253 CA SER A 399 -1.526 -5.808 2.837 1.00 0.00 C ATOM 254 C SER A 399 -2.854 -5.952 3.585 1.00 0.00 C ATOM 255 O SER A 399 -3.901 -6.177 2.976 1.00 0.00 O ATOM 256 CB SER A 399 -0.755 -7.134 2.844 1.00 0.00 C ATOM 257 OG SER A 399 -1.497 -8.180 2.241 1.00 0.00 O ATOM 0 H SER A 399 0.151 -5.122 3.871 1.00 0.00 H new ATOM 0 HA SER A 399 -1.753 -5.530 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.190 -7.007 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.511 -7.407 3.871 1.00 0.00 H new ATOM 0 HG SER A 399 -0.973 -9.008 2.263 1.00 0.00 H new ATOM 263 N GLU A 400 -2.797 -5.821 4.907 1.00 0.00 N ATOM 264 CA GLU A 400 -3.981 -5.928 5.751 1.00 0.00 C ATOM 265 C GLU A 400 -4.951 -4.788 5.469 1.00 0.00 C ATOM 266 O GLU A 400 -6.166 -4.985 5.443 1.00 0.00 O ATOM 267 CB GLU A 400 -3.574 -5.907 7.227 1.00 0.00 C ATOM 268 CG GLU A 400 -4.736 -6.074 8.191 1.00 0.00 C ATOM 269 CD GLU A 400 -4.300 -6.010 9.640 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.100 -5.784 9.897 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.155 -6.184 10.529 1.00 0.00 O ATOM 0 H GLU A 400 -1.934 -5.639 5.420 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.479 -6.871 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.850 -6.703 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.070 -4.964 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.475 -5.296 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.225 -7.030 8.004 1.00 0.00 H new ATOM 278 N GLU A 401 -4.400 -3.593 5.297 1.00 0.00 N ATOM 279 CA GLU A 401 -5.198 -2.400 5.057 1.00 0.00 C ATOM 280 C GLU A 401 -6.067 -2.549 3.818 1.00 0.00 C ATOM 281 O GLU A 401 -5.677 -3.190 2.838 1.00 0.00 O ATOM 282 CB GLU A 401 -4.302 -1.178 4.900 1.00 0.00 C ATOM 283 CG GLU A 401 -3.433 -0.894 6.110 1.00 0.00 C ATOM 284 CD GLU A 401 -4.228 -0.729 7.386 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.104 0.158 7.438 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.971 -1.477 8.353 1.00 0.00 O ATOM 0 H GLU A 401 -3.394 -3.425 5.320 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.847 -2.267 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.661 -1.319 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.925 -0.306 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.719 -1.708 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.854 0.012 5.930 1.00 0.00 H new ATOM 293 N LYS A 402 -7.240 -1.941 3.871 1.00 0.00 N ATOM 294 CA LYS A 402 -8.182 -1.991 2.768 1.00 0.00 C ATOM 295 C LYS A 402 -7.641 -1.256 1.546 1.00 0.00 C ATOM 296 O LYS A 402 -7.242 -0.097 1.639 1.00 0.00 O ATOM 297 CB LYS A 402 -9.518 -1.382 3.196 1.00 0.00 C ATOM 298 CG LYS A 402 -10.116 -2.031 4.436 1.00 0.00 C ATOM 299 CD LYS A 402 -11.451 -1.406 4.821 1.00 0.00 C ATOM 300 CE LYS A 402 -12.532 -1.694 3.789 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.759 -3.153 3.618 1.00 0.00 N ATOM 0 H LYS A 402 -7.564 -1.402 4.674 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.331 -3.036 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.378 -0.318 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.227 -1.469 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.253 -3.097 4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.418 -1.935 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.765 -1.790 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.330 -0.328 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -13.462 -1.215 4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.247 -1.256 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.671 -3.309 3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.994 -3.558 3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.771 -3.614 4.550 1.00 0.00 H new ATOM 315 N ILE A 403 -7.660 -1.955 0.412 1.00 0.00 N ATOM 316 CA ILE A 403 -7.234 -1.439 -0.896 1.00 0.00 C ATOM 317 C ILE A 403 -5.837 -0.781 -0.873 1.00 0.00 C ATOM 318 O ILE A 403 -5.464 -0.053 -1.800 1.00 0.00 O ATOM 319 CB ILE A 403 -8.306 -0.495 -1.516 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.174 -0.467 -3.045 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.220 0.920 -0.951 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.336 0.203 -3.748 1.00 0.00 C ATOM 0 H ILE A 403 -7.980 -2.923 0.373 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.140 -2.310 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.284 -0.894 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.253 0.052 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.081 -1.490 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.986 1.543 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.376 0.891 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.236 1.338 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.170 0.183 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.258 -0.328 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.417 1.237 -3.412 1.00 0.00 H new ATOM 334 N CYS A 404 -4.986 -1.247 0.035 1.00 0.00 N ATOM 335 CA CYS A 404 -3.570 -0.901 -0.002 1.00 0.00 C ATOM 336 C CYS A 404 -2.771 -2.105 -0.497 1.00 0.00 C ATOM 337 O CYS A 404 -3.240 -3.240 -0.403 1.00 0.00 O ATOM 338 CB CYS A 404 -3.075 -0.461 1.377 1.00 0.00 C ATOM 339 SG CYS A 404 -3.903 1.027 2.039 1.00 0.00 S ATOM 0 H CYS A 404 -5.251 -1.863 0.803 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.429 -0.064 -0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.216 -1.283 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.003 -0.270 1.321 1.00 0.00 H new ATOM 344 N SER A 405 -1.627 -1.861 -1.124 1.00 0.00 N ATOM 345 CA SER A 405 -0.840 -2.940 -1.705 1.00 0.00 C ATOM 346 C SER A 405 0.650 -2.639 -1.591 1.00 0.00 C ATOM 347 O SER A 405 1.067 -1.480 -1.687 1.00 0.00 O ATOM 348 CB SER A 405 -1.233 -3.138 -3.170 1.00 0.00 C ATOM 349 OG SER A 405 -0.513 -4.201 -3.772 1.00 0.00 O ATOM 0 H SER A 405 -1.226 -0.931 -1.243 1.00 0.00 H new ATOM 0 HA SER A 405 -1.045 -3.859 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.302 -3.341 -3.235 1.00 0.00 H new ATOM 0 HB3 SER A 405 -1.050 -2.217 -3.723 1.00 0.00 H new ATOM 0 HG SER A 405 -0.757 -4.267 -4.719 1.00 0.00 H new ATOM 355 N TRP A 406 1.435 -3.671 -1.306 1.00 0.00 N ATOM 356 CA TRP A 406 2.866 -3.504 -1.119 1.00 0.00 C ATOM 357 C TRP A 406 3.614 -3.662 -2.441 1.00 0.00 C ATOM 358 O TRP A 406 3.543 -4.698 -3.103 1.00 0.00 O ATOM 359 CB TRP A 406 3.391 -4.510 -0.096 1.00 0.00 C ATOM 360 CG TRP A 406 4.763 -4.194 0.421 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.923 -4.832 0.096 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.115 -3.192 1.384 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.971 -4.291 0.792 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.502 -3.285 1.593 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.396 -2.228 2.091 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.182 -2.454 2.475 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.073 -1.401 2.966 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.451 -1.520 3.153 1.00 0.00 C ATOM 0 H TRP A 406 1.103 -4.630 -1.200 1.00 0.00 H new ATOM 0 HA TRP A 406 3.040 -2.495 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.698 -4.553 0.744 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.404 -5.501 -0.550 1.00 0.00 H new ATOM 0 HD1 TRP A 406 6.004 -5.646 -0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.944 -4.590 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.329 -2.130 1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.249 -2.543 2.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.526 -0.649 3.515 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.950 -0.860 3.848 1.00 0.00 H new ATOM 379 N HIS A 407 4.392 -2.646 -2.756 1.00 0.00 N ATOM 380 CA HIS A 407 5.261 -2.621 -3.922 1.00 0.00 C ATOM 381 C HIS A 407 6.578 -3.295 -3.539 1.00 0.00 C ATOM 382 O HIS A 407 7.525 -2.617 -3.152 1.00 0.00 O ATOM 383 CB HIS A 407 5.480 -1.148 -4.309 1.00 0.00 C ATOM 384 CG HIS A 407 5.983 -0.864 -5.690 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.148 -1.379 -6.197 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.520 0.001 -6.626 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.389 -0.842 -7.375 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.417 0.002 -7.665 1.00 0.00 N ATOM 0 H HIS A 407 4.441 -1.794 -2.197 1.00 0.00 H new ATOM 0 HA HIS A 407 4.830 -3.150 -4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.534 -0.622 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.184 -0.715 -3.599 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.737 -2.071 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.612 0.583 -6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.242 -1.057 -8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.345 0.560 -8.516 1.00 0.00 H new ATOM 397 N LYS A 408 6.517 -4.614 -3.377 1.00 0.00 N ATOM 398 CA LYS A 408 7.612 -5.385 -2.779 1.00 0.00 C ATOM 399 C LYS A 408 8.970 -5.055 -3.397 1.00 0.00 C ATOM 400 O LYS A 408 9.873 -4.586 -2.704 1.00 0.00 O ATOM 401 CB LYS A 408 7.327 -6.883 -2.903 1.00 0.00 C ATOM 402 CG LYS A 408 6.170 -7.354 -2.037 1.00 0.00 C ATOM 403 CD LYS A 408 5.856 -8.824 -2.256 1.00 0.00 C ATOM 404 CE LYS A 408 4.830 -9.334 -1.251 1.00 0.00 C ATOM 405 NZ LYS A 408 3.541 -8.589 -1.326 1.00 0.00 N ATOM 0 H LYS A 408 5.714 -5.179 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 408 7.664 -5.105 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.110 -7.118 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.224 -7.439 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.412 -7.188 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.285 -6.757 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.478 -8.969 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.772 -9.409 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 408 4.645 -10.393 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.238 -9.248 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 3.396 -8.057 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 3.568 -7.928 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 2.759 -9.261 -1.457 1.00 0.00 H new ATOM 419 N GLU A 409 9.098 -5.244 -4.698 1.00 0.00 N ATOM 420 CA GLU A 409 10.332 -4.905 -5.390 1.00 0.00 C ATOM 421 C GLU A 409 10.278 -3.434 -5.797 1.00 0.00 C ATOM 422 O GLU A 409 9.308 -3.003 -6.414 1.00 0.00 O ATOM 423 CB GLU A 409 10.499 -5.819 -6.611 1.00 0.00 C ATOM 424 CG GLU A 409 11.934 -5.980 -7.090 1.00 0.00 C ATOM 425 CD GLU A 409 12.461 -4.755 -7.799 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.863 -4.350 -8.814 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.487 -4.200 -7.352 1.00 0.00 O ATOM 0 H GLU A 409 8.367 -5.629 -5.296 1.00 0.00 H new ATOM 0 HA GLU A 409 11.193 -5.054 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.098 -6.803 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.899 -5.423 -7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.574 -6.202 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.993 -6.836 -7.763 1.00 0.00 H new ATOM 434 N VAL A 410 11.243 -2.638 -5.349 1.00 0.00 N ATOM 435 CA VAL A 410 11.192 -1.196 -5.579 1.00 0.00 C ATOM 436 C VAL A 410 12.477 -0.638 -6.169 1.00 0.00 C ATOM 437 O VAL A 410 13.561 -0.777 -5.597 1.00 0.00 O ATOM 438 CB VAL A 410 10.871 -0.405 -4.292 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.382 -0.414 -4.009 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.642 -0.956 -3.102 1.00 0.00 C ATOM 0 H VAL A 410 12.061 -2.960 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 410 10.386 -1.067 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 410 11.185 0.627 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.181 0.149 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.850 0.044 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.042 -1.442 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.396 -0.379 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.371 -2.000 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.712 -0.884 -3.297 1.00 0.00 H new ATOM 450 N LYS A 411 12.302 0.160 -7.209 1.00 0.00 N ATOM 451 CA LYS A 411 13.376 0.962 -7.762 1.00 0.00 C ATOM 452 C LYS A 411 13.520 2.229 -6.925 1.00 0.00 C ATOM 453 O LYS A 411 12.521 2.749 -6.424 1.00 0.00 O ATOM 454 CB LYS A 411 13.069 1.315 -9.223 1.00 0.00 C ATOM 455 CG LYS A 411 14.114 2.197 -9.885 1.00 0.00 C ATOM 456 CD LYS A 411 13.800 2.415 -11.356 1.00 0.00 C ATOM 457 CE LYS A 411 14.852 3.273 -12.037 1.00 0.00 C ATOM 458 NZ LYS A 411 14.651 3.333 -13.510 1.00 0.00 N ATOM 0 H LYS A 411 11.411 0.269 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 411 14.311 0.402 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.974 0.392 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.104 1.819 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.158 3.159 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 411 15.097 1.737 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 411 13.735 1.451 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.824 2.891 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.820 4.282 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.842 2.872 -11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.389 3.928 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 14.707 2.374 -13.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.716 3.739 -13.717 1.00 0.00 H new ATOM 472 N ALA A 412 14.755 2.672 -6.712 1.00 0.00 N ATOM 473 CA ALA A 412 15.017 3.850 -5.891 1.00 0.00 C ATOM 474 C ALA A 412 14.229 5.052 -6.405 1.00 0.00 C ATOM 475 O ALA A 412 14.490 5.558 -7.497 1.00 0.00 O ATOM 476 CB ALA A 412 16.508 4.159 -5.872 1.00 0.00 C ATOM 0 H ALA A 412 15.591 2.233 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 412 14.691 3.639 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.689 5.040 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 412 17.050 3.309 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.853 4.350 -6.888 1.00 0.00 H new ATOM 482 N GLY A 413 13.195 5.424 -5.664 1.00 0.00 N ATOM 483 CA GLY A 413 12.302 6.480 -6.104 1.00 0.00 C ATOM 484 C GLY A 413 10.849 6.104 -5.901 1.00 0.00 C ATOM 485 O GLY A 413 10.005 6.962 -5.634 1.00 0.00 O ATOM 0 H GLY A 413 12.957 5.012 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.522 7.395 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.480 6.691 -7.158 1.00 0.00 H new ATOM 489 N GLU A 414 10.559 4.816 -6.041 1.00 0.00 N ATOM 490 CA GLU A 414 9.207 4.304 -5.867 1.00 0.00 C ATOM 491 C GLU A 414 8.818 4.266 -4.395 1.00 0.00 C ATOM 492 O GLU A 414 9.669 4.356 -3.505 1.00 0.00 O ATOM 493 CB GLU A 414 9.081 2.896 -6.451 1.00 0.00 C ATOM 494 CG GLU A 414 9.288 2.830 -7.954 1.00 0.00 C ATOM 495 CD GLU A 414 8.090 3.350 -8.722 1.00 0.00 C ATOM 496 OE1 GLU A 414 7.008 2.723 -8.642 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.214 4.394 -9.395 1.00 0.00 O ATOM 0 H GLU A 414 11.249 4.103 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 414 8.535 4.980 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.809 2.246 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.093 2.502 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.170 3.412 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.485 1.799 -8.247 1.00 0.00 H new ATOM 504 N LYS A 415 7.546 4.004 -4.157 1.00 0.00 N ATOM 505 CA LYS A 415 7.033 3.809 -2.812 1.00 0.00 C ATOM 506 C LYS A 415 6.586 2.374 -2.637 1.00 0.00 C ATOM 507 O LYS A 415 5.982 1.801 -3.541 1.00 0.00 O ATOM 508 CB LYS A 415 5.861 4.752 -2.533 1.00 0.00 C ATOM 509 CG LYS A 415 6.290 6.167 -2.200 1.00 0.00 C ATOM 510 CD LYS A 415 7.203 6.184 -0.988 1.00 0.00 C ATOM 511 CE LYS A 415 7.582 7.603 -0.597 1.00 0.00 C ATOM 512 NZ LYS A 415 6.406 8.376 -0.115 1.00 0.00 N ATOM 0 H LYS A 415 6.840 3.920 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 415 7.831 4.032 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.208 4.775 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.274 4.354 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.805 6.606 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.411 6.782 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.706 5.695 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.105 5.611 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.343 7.574 0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.024 8.111 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.731 9.243 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 5.802 8.629 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 5.862 7.797 0.556 1.00 0.00 H new ATOM 526 N ASN A 416 6.920 1.778 -1.504 1.00 0.00 N ATOM 527 CA ASN A 416 6.553 0.396 -1.256 1.00 0.00 C ATOM 528 C ASN A 416 5.058 0.277 -1.009 1.00 0.00 C ATOM 529 O ASN A 416 4.331 -0.261 -1.828 1.00 0.00 O ATOM 530 CB ASN A 416 7.322 -0.193 -0.072 1.00 0.00 C ATOM 531 CG ASN A 416 8.792 -0.427 -0.371 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.544 0.508 -0.636 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.210 -1.681 -0.330 1.00 0.00 N ATOM 0 H ASN A 416 7.440 2.225 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 416 6.818 -0.173 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.234 0.480 0.781 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.862 -1.138 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.188 -1.899 -0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.555 -2.430 -0.106 1.00 0.00 H new ATOM 540 N CYS A 417 4.559 0.875 0.049 1.00 0.00 N ATOM 541 CA CYS A 417 3.126 0.845 0.254 1.00 0.00 C ATOM 542 C CYS A 417 2.481 2.046 -0.405 1.00 0.00 C ATOM 543 O CYS A 417 2.840 3.195 -0.129 1.00 0.00 O ATOM 544 CB CYS A 417 2.757 0.782 1.725 1.00 0.00 C ATOM 545 SG CYS A 417 0.987 0.462 1.996 1.00 0.00 S ATOM 0 H CYS A 417 5.099 1.371 0.758 1.00 0.00 H new ATOM 0 HA CYS A 417 2.748 -0.066 -0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.341 -0.001 2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 417 3.029 1.723 2.203 1.00 0.00 H new ATOM 550 N GLN A 418 1.556 1.766 -1.303 1.00 0.00 N ATOM 551 CA GLN A 418 0.870 2.794 -2.057 1.00 0.00 C ATOM 552 C GLN A 418 -0.495 2.296 -2.494 1.00 0.00 C ATOM 553 O GLN A 418 -0.794 1.102 -2.380 1.00 0.00 O ATOM 554 CB GLN A 418 1.707 3.248 -3.268 1.00 0.00 C ATOM 555 CG GLN A 418 2.592 2.170 -3.888 1.00 0.00 C ATOM 556 CD GLN A 418 1.815 1.073 -4.583 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.039 1.328 -5.504 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.036 -0.159 -4.161 1.00 0.00 N ATOM 0 H GLN A 418 1.259 0.817 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 418 0.733 3.662 -1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.031 3.626 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.339 4.082 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.268 2.635 -4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.211 1.727 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.688 -0.326 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.555 -0.943 -4.602 1.00 0.00 H new ATOM 567 N PHE A 419 -1.341 3.218 -2.923 1.00 0.00 N ATOM 568 CA PHE A 419 -2.682 2.871 -3.359 1.00 0.00 C ATOM 569 C PHE A 419 -2.594 1.979 -4.588 1.00 0.00 C ATOM 570 O PHE A 419 -1.947 2.336 -5.572 1.00 0.00 O ATOM 571 CB PHE A 419 -3.474 4.140 -3.681 1.00 0.00 C ATOM 572 CG PHE A 419 -4.929 3.899 -3.965 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.743 3.303 -3.019 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.478 4.261 -5.183 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.079 3.073 -3.283 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.814 4.034 -5.451 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.615 3.438 -4.500 1.00 0.00 C ATOM 0 H PHE A 419 -1.122 4.213 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.197 2.336 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.388 4.832 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.022 4.628 -4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.330 3.014 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.855 4.726 -5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.704 2.607 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.231 4.323 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.659 3.258 -4.708 1.00 0.00 H new ATOM 587 N ASN A 420 -3.155 0.780 -4.493 1.00 0.00 N ATOM 588 CA ASN A 420 -3.031 -0.194 -5.570 1.00 0.00 C ATOM 589 C ASN A 420 -3.813 0.231 -6.808 1.00 0.00 C ATOM 590 O ASN A 420 -3.564 -0.269 -7.904 1.00 0.00 O ATOM 591 CB ASN A 420 -3.456 -1.595 -5.114 1.00 0.00 C ATOM 592 CG ASN A 420 -4.893 -1.696 -4.622 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.830 -1.222 -5.264 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.081 -2.382 -3.507 1.00 0.00 N ATOM 0 H ASN A 420 -3.696 0.461 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.976 -0.234 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.321 -2.289 -5.944 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.789 -1.920 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.026 -2.532 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.281 -2.761 -3.000 1.00 0.00 H new ATOM 601 N SER A 421 -4.735 1.169 -6.621 1.00 0.00 N ATOM 602 CA SER A 421 -5.525 1.720 -7.716 1.00 0.00 C ATOM 603 C SER A 421 -6.351 0.633 -8.399 1.00 0.00 C ATOM 604 O SER A 421 -6.074 0.238 -9.536 1.00 0.00 O ATOM 605 CB SER A 421 -4.621 2.437 -8.728 1.00 0.00 C ATOM 606 OG SER A 421 -5.364 3.321 -9.550 1.00 0.00 O ATOM 0 H SER A 421 -4.955 1.568 -5.709 1.00 0.00 H new ATOM 0 HA SER A 421 -6.217 2.451 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 421 -3.849 2.994 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.113 1.700 -9.350 1.00 0.00 H new ATOM 0 HG SER A 421 -4.761 3.764 -10.183 1.00 0.00 H new ATOM 612 N THR A 422 -7.399 0.195 -7.708 1.00 0.00 N ATOM 613 CA THR A 422 -8.350 -0.774 -8.245 1.00 0.00 C ATOM 614 C THR A 422 -7.703 -2.150 -8.465 1.00 0.00 C ATOM 615 O THR A 422 -8.201 -2.967 -9.241 1.00 0.00 O ATOM 616 CB THR A 422 -8.979 -0.256 -9.561 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.235 1.154 -9.449 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.287 -0.972 -9.870 1.00 0.00 C ATOM 0 H THR A 422 -7.613 0.502 -6.759 1.00 0.00 H new ATOM 0 HA THR A 422 -9.140 -0.896 -7.503 1.00 0.00 H new ATOM 0 HB THR A 422 -8.275 -0.452 -10.370 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.632 1.482 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.703 -0.585 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.101 -2.041 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.995 -0.803 -9.058 1.00 0.00 H new ATOM 626 N LYS A 423 -6.725 -2.481 -7.632 1.00 0.00 N ATOM 627 CA LYS A 423 -6.206 -3.843 -7.600 1.00 0.00 C ATOM 628 C LYS A 423 -7.084 -4.670 -6.676 1.00 0.00 C ATOM 629 O LYS A 423 -7.623 -5.701 -7.072 1.00 0.00 O ATOM 630 CB LYS A 423 -4.758 -3.872 -7.121 1.00 0.00 C ATOM 631 CG LYS A 423 -4.128 -5.256 -7.148 1.00 0.00 C ATOM 632 CD LYS A 423 -2.754 -5.255 -6.497 1.00 0.00 C ATOM 633 CE LYS A 423 -2.158 -6.653 -6.452 1.00 0.00 C ATOM 634 NZ LYS A 423 -0.882 -6.692 -5.683 1.00 0.00 N ATOM 0 H LYS A 423 -6.280 -1.836 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.223 -4.258 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.166 -3.202 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.714 -3.483 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -4.777 -5.962 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.043 -5.598 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -2.089 -4.592 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -2.830 -4.858 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -2.875 -7.338 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -1.979 -7.004 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -0.580 -7.680 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.148 -6.167 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.026 -6.256 -4.750 1.00 0.00 H new ATOM 648 N ALA A 424 -7.380 -4.094 -5.519 1.00 0.00 N ATOM 649 CA ALA A 424 -8.366 -4.661 -4.614 1.00 0.00 C ATOM 650 C ALA A 424 -9.707 -3.959 -4.832 1.00 0.00 C ATOM 651 O ALA A 424 -10.015 -3.564 -5.959 1.00 0.00 O ATOM 652 CB ALA A 424 -7.899 -4.525 -3.171 1.00 0.00 C ATOM 0 H ALA A 424 -6.949 -3.232 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.489 -5.724 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.647 -4.954 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.954 -5.053 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.761 -3.471 -2.931 1.00 0.00 H new