USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 346 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= 0.161 USER MOD Set 1.2: A 423 LYS NZ :NH3+ -109:sc= 0.167 (180deg=0) USER MOD Set 2.1: A 421 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 383 LYS NZ :NH3+ -170:sc= -0.0153 (180deg=-0.165) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.23) USER MOD Single : A 391 LYS NZ :NH3+ -137:sc= -2.32! (180deg=-5.01!) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 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+ -168:sc= 1.58 (180deg=1.35) USER MOD Single : A 407 HIS : no HE2:sc= -0.19 X(o=-0.19,f=-0.67) USER MOD Single : A 408 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.201) USER MOD Single : A 411 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.545) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 418 GLN : amide:sc= -4.74! C(o=-4.7!,f=-1.2!) USER MOD Single : A 420 ASN : amide:sc= -1.48 K(o=-1.5,f=-6!) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 162:sc= -0.0733 (180deg=-0.38) USER MOD Single : A 427 SER OG : rot 180:sc= -0.0795 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -8.177 8.519 5.611 1.00 0.00 N ATOM 2 CA GLY A 382 -8.481 9.936 5.305 1.00 0.00 C ATOM 3 C GLY A 382 -9.286 10.069 4.033 1.00 0.00 C ATOM 4 O GLY A 382 -10.139 9.228 3.747 1.00 0.00 O ATOM 0 HA2 GLY A 382 -9.034 10.378 6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -7.551 10.496 5.208 1.00 0.00 H new ATOM 10 N LYS A 383 -9.014 11.107 3.260 1.00 0.00 N ATOM 11 CA LYS A 383 -9.723 11.312 2.009 1.00 0.00 C ATOM 12 C LYS A 383 -9.036 10.567 0.870 1.00 0.00 C ATOM 13 O LYS A 383 -9.659 9.757 0.187 1.00 0.00 O ATOM 14 CB LYS A 383 -9.825 12.803 1.681 1.00 0.00 C ATOM 15 CG LYS A 383 -10.635 13.096 0.427 1.00 0.00 C ATOM 16 CD LYS A 383 -12.088 12.674 0.580 1.00 0.00 C ATOM 17 CE LYS A 383 -12.869 12.890 -0.706 1.00 0.00 C ATOM 18 NZ LYS A 383 -12.847 14.310 -1.150 1.00 0.00 N ATOM 0 H LYS A 383 -8.313 11.816 3.475 1.00 0.00 H new ATOM 0 HA LYS A 383 -10.731 10.914 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -10.278 13.322 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -8.821 13.209 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.588 14.162 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -10.193 12.574 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.135 11.622 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.550 13.242 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -12.452 12.260 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.902 12.574 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.525 14.441 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.109 14.927 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.892 14.556 -1.479 1.00 0.00 H new ATOM 32 N SER A 384 -7.752 10.838 0.674 1.00 0.00 N ATOM 33 CA SER A 384 -6.994 10.186 -0.380 1.00 0.00 C ATOM 34 C SER A 384 -6.446 8.844 0.089 1.00 0.00 C ATOM 35 O SER A 384 -5.640 8.779 1.023 1.00 0.00 O ATOM 36 CB SER A 384 -5.846 11.082 -0.849 1.00 0.00 C ATOM 37 OG SER A 384 -5.059 10.434 -1.832 1.00 0.00 O ATOM 0 H SER A 384 -7.217 11.504 1.231 1.00 0.00 H new ATOM 0 HA SER A 384 -7.671 10.009 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 384 -6.248 12.010 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.220 11.351 0.002 1.00 0.00 H new ATOM 0 HG SER A 384 -4.334 11.029 -2.115 1.00 0.00 H new ATOM 43 N PRO A 385 -6.845 7.754 -0.581 1.00 0.00 N ATOM 44 CA PRO A 385 -6.369 6.410 -0.268 1.00 0.00 C ATOM 45 C PRO A 385 -4.888 6.243 -0.612 1.00 0.00 C ATOM 46 O PRO A 385 -4.162 5.516 0.065 1.00 0.00 O ATOM 47 CB PRO A 385 -7.242 5.492 -1.134 1.00 0.00 C ATOM 48 CG PRO A 385 -8.334 6.360 -1.670 1.00 0.00 C ATOM 49 CD PRO A 385 -7.772 7.747 -1.718 1.00 0.00 C ATOM 0 HA PRO A 385 -6.447 6.184 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.661 5.049 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.649 4.669 -0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.644 6.030 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -9.216 6.318 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.260 7.945 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.549 8.504 -1.612 1.00 0.00 H new ATOM 57 N GLU A 386 -4.428 6.994 -1.611 1.00 0.00 N ATOM 58 CA GLU A 386 -3.011 7.010 -1.973 1.00 0.00 C ATOM 59 C GLU A 386 -2.185 7.550 -0.809 1.00 0.00 C ATOM 60 O GLU A 386 -1.218 6.920 -0.372 1.00 0.00 O ATOM 61 CB GLU A 386 -2.796 7.866 -3.228 1.00 0.00 C ATOM 62 CG GLU A 386 -1.332 8.110 -3.590 1.00 0.00 C ATOM 63 CD GLU A 386 -0.601 6.869 -4.079 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.188 5.770 -4.068 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.574 6.996 -4.494 1.00 0.00 O ATOM 0 H GLU A 386 -5.015 7.599 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.686 5.992 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.289 7.381 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -3.286 8.829 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -1.282 8.877 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.813 8.504 -2.716 1.00 0.00 H new ATOM 72 N ALA A 387 -2.643 8.664 -0.243 1.00 0.00 N ATOM 73 CA ALA A 387 -2.014 9.246 0.932 1.00 0.00 C ATOM 74 C ALA A 387 -2.094 8.287 2.111 1.00 0.00 C ATOM 75 O ALA A 387 -1.164 8.190 2.910 1.00 0.00 O ATOM 76 CB ALA A 387 -2.666 10.575 1.281 1.00 0.00 C ATOM 0 H ALA A 387 -3.453 9.182 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.963 9.426 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -2.183 10.997 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -2.558 11.264 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.725 10.418 1.487 1.00 0.00 H new ATOM 82 N GLU A 388 -3.201 7.552 2.187 1.00 0.00 N ATOM 83 CA GLU A 388 -3.389 6.568 3.239 1.00 0.00 C ATOM 84 C GLU A 388 -2.331 5.476 3.158 1.00 0.00 C ATOM 85 O GLU A 388 -1.553 5.302 4.088 1.00 0.00 O ATOM 86 CB GLU A 388 -4.784 5.944 3.159 1.00 0.00 C ATOM 87 CG GLU A 388 -5.902 6.892 3.554 1.00 0.00 C ATOM 88 CD GLU A 388 -7.250 6.205 3.623 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.332 5.118 4.223 1.00 0.00 O ATOM 90 OE2 GLU A 388 -8.242 6.769 3.121 1.00 0.00 O ATOM 0 H GLU A 388 -3.979 7.622 1.531 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.288 7.083 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.958 5.595 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.818 5.068 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.673 7.334 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.951 7.710 2.835 1.00 0.00 H new ATOM 97 N CYS A 389 -2.297 4.753 2.042 1.00 0.00 N ATOM 98 CA CYS A 389 -1.352 3.656 1.865 1.00 0.00 C ATOM 99 C CYS A 389 0.102 4.116 1.990 1.00 0.00 C ATOM 100 O CYS A 389 0.958 3.363 2.444 1.00 0.00 O ATOM 101 CB CYS A 389 -1.567 3.011 0.500 1.00 0.00 C ATOM 102 SG CYS A 389 -3.264 2.414 0.207 1.00 0.00 S ATOM 0 H CYS A 389 -2.915 4.908 1.245 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.537 2.933 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.311 3.734 -0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.877 2.174 0.395 1.00 0.00 H new ATOM 107 N ASN A 390 0.390 5.322 1.514 1.00 0.00 N ATOM 108 CA ASN A 390 1.763 5.831 1.465 1.00 0.00 C ATOM 109 C ASN A 390 2.474 5.800 2.820 1.00 0.00 C ATOM 110 O ASN A 390 3.703 5.723 2.866 1.00 0.00 O ATOM 111 CB ASN A 390 1.789 7.256 0.912 1.00 0.00 C ATOM 112 CG ASN A 390 2.073 7.313 -0.580 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.188 8.398 -1.152 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.198 6.158 -1.225 1.00 0.00 N ATOM 0 H ASN A 390 -0.310 5.971 1.154 1.00 0.00 H new ATOM 0 HA ASN A 390 2.306 5.158 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 390 0.830 7.734 1.111 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.548 7.831 1.442 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.395 6.151 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.097 5.278 -0.719 1.00 0.00 H new ATOM 121 N LYS A 391 1.735 5.975 3.909 1.00 0.00 N ATOM 122 CA LYS A 391 2.354 6.040 5.234 1.00 0.00 C ATOM 123 C LYS A 391 2.749 4.654 5.741 1.00 0.00 C ATOM 124 O LYS A 391 3.647 4.526 6.573 1.00 0.00 O ATOM 125 CB LYS A 391 1.436 6.731 6.241 1.00 0.00 C ATOM 126 CG LYS A 391 0.118 6.017 6.476 1.00 0.00 C ATOM 127 CD LYS A 391 -0.828 6.833 7.344 1.00 0.00 C ATOM 128 CE LYS A 391 -1.387 8.047 6.608 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.382 9.136 6.446 1.00 0.00 N ATOM 0 H LYS A 391 0.720 6.074 3.906 1.00 0.00 H new ATOM 0 HA LYS A 391 3.263 6.633 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.961 6.821 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.231 7.743 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.358 5.810 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.307 5.055 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.652 6.200 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.302 7.164 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.743 7.738 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.249 8.432 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.828 10.053 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 0.407 8.981 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -0.023 9.134 5.470 1.00 0.00 H new ATOM 143 N ILE A 392 2.057 3.625 5.266 1.00 0.00 N ATOM 144 CA ILE A 392 2.342 2.258 5.675 1.00 0.00 C ATOM 145 C ILE A 392 3.757 1.855 5.255 1.00 0.00 C ATOM 146 O ILE A 392 4.189 2.138 4.135 1.00 0.00 O ATOM 147 CB ILE A 392 1.322 1.250 5.086 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.077 1.440 5.684 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.787 -0.176 5.327 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.797 2.684 5.233 1.00 0.00 C ATOM 0 H ILE A 392 1.293 3.713 4.596 1.00 0.00 H new ATOM 0 HA ILE A 392 2.260 2.228 6.761 1.00 0.00 H new ATOM 0 HB ILE A 392 1.262 1.440 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.686 0.573 5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 392 0.008 1.461 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.060 -0.872 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.754 -0.329 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.881 -0.352 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.776 2.730 5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.216 3.563 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.921 2.661 4.150 1.00 0.00 H new ATOM 162 N THR A 393 4.482 1.232 6.171 1.00 0.00 N ATOM 163 CA THR A 393 5.855 0.833 5.918 1.00 0.00 C ATOM 164 C THR A 393 6.010 -0.691 6.002 1.00 0.00 C ATOM 165 O THR A 393 6.928 -1.263 5.416 1.00 0.00 O ATOM 166 CB THR A 393 6.825 1.534 6.900 1.00 0.00 C ATOM 167 OG1 THR A 393 8.180 1.366 6.466 1.00 0.00 O ATOM 168 CG2 THR A 393 6.673 1.000 8.317 1.00 0.00 C ATOM 0 H THR A 393 4.139 0.991 7.101 1.00 0.00 H new ATOM 0 HA THR A 393 6.111 1.145 4.905 1.00 0.00 H new ATOM 0 HB THR A 393 6.572 2.594 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.783 1.815 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.370 1.516 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.653 1.170 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.887 -0.069 8.328 1.00 0.00 H new ATOM 176 N GLU A 394 5.107 -1.344 6.727 1.00 0.00 N ATOM 177 CA GLU A 394 5.139 -2.798 6.871 1.00 0.00 C ATOM 178 C GLU A 394 4.324 -3.472 5.771 1.00 0.00 C ATOM 179 O GLU A 394 3.226 -3.020 5.433 1.00 0.00 O ATOM 180 CB GLU A 394 4.595 -3.214 8.239 1.00 0.00 C ATOM 181 CG GLU A 394 5.340 -2.601 9.415 1.00 0.00 C ATOM 182 CD GLU A 394 6.747 -3.143 9.595 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.180 -4.005 8.800 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.425 -2.712 10.551 1.00 0.00 O ATOM 0 H GLU A 394 4.342 -0.889 7.225 1.00 0.00 H new ATOM 0 HA GLU A 394 6.177 -3.118 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.544 -2.932 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.639 -4.300 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.391 -1.521 9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.771 -2.780 10.327 1.00 0.00 H new ATOM 191 N GLU A 395 4.831 -4.592 5.266 1.00 0.00 N ATOM 192 CA GLU A 395 4.132 -5.368 4.250 1.00 0.00 C ATOM 193 C GLU A 395 2.787 -5.905 4.764 1.00 0.00 C ATOM 194 O GLU A 395 1.765 -5.715 4.106 1.00 0.00 O ATOM 195 CB GLU A 395 5.011 -6.520 3.745 1.00 0.00 C ATOM 196 CG GLU A 395 4.280 -7.459 2.802 1.00 0.00 C ATOM 197 CD GLU A 395 5.127 -8.626 2.343 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.348 -8.635 2.612 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.573 -9.541 1.703 1.00 0.00 O ATOM 0 H GLU A 395 5.730 -4.984 5.547 1.00 0.00 H new ATOM 0 HA GLU A 395 3.922 -4.696 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.882 -6.108 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.381 -7.088 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.388 -7.840 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.944 -6.898 1.930 1.00 0.00 H new ATOM 206 N PRO A 396 2.750 -6.583 5.941 1.00 0.00 N ATOM 207 CA PRO A 396 1.503 -7.146 6.476 1.00 0.00 C ATOM 208 C PRO A 396 0.412 -6.092 6.630 1.00 0.00 C ATOM 209 O PRO A 396 -0.740 -6.325 6.270 1.00 0.00 O ATOM 210 CB PRO A 396 1.903 -7.696 7.845 1.00 0.00 C ATOM 211 CG PRO A 396 3.366 -7.940 7.748 1.00 0.00 C ATOM 212 CD PRO A 396 3.899 -6.886 6.821 1.00 0.00 C ATOM 0 HA PRO A 396 1.086 -7.900 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.673 -6.985 8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.364 -8.615 8.074 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.839 -7.874 8.728 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.571 -8.939 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.230 -6.002 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.755 -7.248 6.252 1.00 0.00 H new ATOM 220 N LYS A 397 0.798 -4.919 7.118 1.00 0.00 N ATOM 221 CA LYS A 397 -0.138 -3.815 7.292 1.00 0.00 C ATOM 222 C LYS A 397 -0.639 -3.298 5.950 1.00 0.00 C ATOM 223 O LYS A 397 -1.832 -3.060 5.780 1.00 0.00 O ATOM 224 CB LYS A 397 0.518 -2.681 8.079 1.00 0.00 C ATOM 225 CG LYS A 397 0.710 -2.999 9.553 1.00 0.00 C ATOM 226 CD LYS A 397 -0.623 -3.081 10.281 1.00 0.00 C ATOM 227 CE LYS A 397 -0.441 -3.419 11.750 1.00 0.00 C ATOM 228 NZ LYS A 397 -1.732 -3.422 12.486 1.00 0.00 N ATOM 0 H LYS A 397 1.755 -4.708 7.401 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.995 -4.189 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.487 -2.454 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.093 -1.783 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 397 1.242 -3.945 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.332 -2.232 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -1.147 -2.130 10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -1.250 -3.837 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.030 -4.398 11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 397 0.235 -2.696 12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -1.562 -3.657 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.170 -2.481 12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -2.369 -4.130 12.067 1.00 0.00 H new ATOM 242 N CYS A 398 0.272 -3.134 5.000 1.00 0.00 N ATOM 243 CA CYS A 398 -0.093 -2.648 3.674 1.00 0.00 C ATOM 244 C CYS A 398 -1.012 -3.643 2.982 1.00 0.00 C ATOM 245 O CYS A 398 -2.027 -3.270 2.394 1.00 0.00 O ATOM 246 CB CYS A 398 1.156 -2.423 2.824 1.00 0.00 C ATOM 247 SG CYS A 398 0.838 -1.589 1.236 1.00 0.00 S ATOM 0 H CYS A 398 1.266 -3.329 5.121 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.617 -1.699 3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.869 -1.830 3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.627 -3.386 2.628 1.00 0.00 H new ATOM 252 N SER A 399 -0.660 -4.915 3.089 1.00 0.00 N ATOM 253 CA SER A 399 -1.445 -5.983 2.503 1.00 0.00 C ATOM 254 C SER A 399 -2.800 -6.092 3.202 1.00 0.00 C ATOM 255 O SER A 399 -3.809 -6.421 2.580 1.00 0.00 O ATOM 256 CB SER A 399 -0.676 -7.303 2.601 1.00 0.00 C ATOM 257 OG SER A 399 -1.284 -8.321 1.820 1.00 0.00 O ATOM 0 H SER A 399 0.174 -5.232 3.583 1.00 0.00 H new ATOM 0 HA SER A 399 -1.624 -5.760 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 399 0.351 -7.152 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.630 -7.621 3.642 1.00 0.00 H new ATOM 0 HG SER A 399 -0.768 -9.150 1.903 1.00 0.00 H new ATOM 263 N GLU A 400 -2.814 -5.799 4.497 1.00 0.00 N ATOM 264 CA GLU A 400 -4.039 -5.845 5.279 1.00 0.00 C ATOM 265 C GLU A 400 -4.978 -4.710 4.886 1.00 0.00 C ATOM 266 O GLU A 400 -6.192 -4.904 4.816 1.00 0.00 O ATOM 267 CB GLU A 400 -3.722 -5.765 6.776 1.00 0.00 C ATOM 268 CG GLU A 400 -4.933 -5.977 7.668 1.00 0.00 C ATOM 269 CD GLU A 400 -5.549 -7.354 7.509 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.957 -8.214 6.817 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.629 -7.588 8.086 1.00 0.00 O ATOM 0 H GLU A 400 -1.986 -5.526 5.027 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.535 -6.793 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.967 -6.513 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.287 -4.790 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.641 -5.833 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.683 -5.220 7.439 1.00 0.00 H new ATOM 278 N GLU A 401 -4.411 -3.522 4.668 1.00 0.00 N ATOM 279 CA GLU A 401 -5.196 -2.340 4.321 1.00 0.00 C ATOM 280 C GLU A 401 -6.101 -2.599 3.122 1.00 0.00 C ATOM 281 O GLU A 401 -5.735 -3.315 2.187 1.00 0.00 O ATOM 282 CB GLU A 401 -4.286 -1.144 4.043 1.00 0.00 C ATOM 283 CG GLU A 401 -4.203 -0.157 5.200 1.00 0.00 C ATOM 284 CD GLU A 401 -5.535 0.508 5.506 1.00 0.00 C ATOM 285 OE1 GLU A 401 -6.071 1.229 4.637 1.00 0.00 O ATOM 286 OE2 GLU A 401 -6.063 0.308 6.623 1.00 0.00 O ATOM 0 H GLU A 401 -3.407 -3.355 4.726 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.828 -2.109 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.284 -1.507 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.647 -0.622 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.849 -0.677 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.465 0.610 4.965 1.00 0.00 H new ATOM 293 N LYS A 402 -7.319 -2.084 3.234 1.00 0.00 N ATOM 294 CA LYS A 402 -8.394 -2.309 2.272 1.00 0.00 C ATOM 295 C LYS A 402 -7.927 -2.307 0.811 1.00 0.00 C ATOM 296 O LYS A 402 -8.260 -3.219 0.055 1.00 0.00 O ATOM 297 CB LYS A 402 -9.465 -1.233 2.473 1.00 0.00 C ATOM 298 CG LYS A 402 -8.891 0.176 2.531 1.00 0.00 C ATOM 299 CD LYS A 402 -9.961 1.230 2.741 1.00 0.00 C ATOM 300 CE LYS A 402 -9.351 2.621 2.790 1.00 0.00 C ATOM 301 NZ LYS A 402 -8.331 2.744 3.865 1.00 0.00 N ATOM 0 H LYS A 402 -7.594 -1.485 4.012 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.791 -3.306 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -10.188 -1.291 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.007 -1.436 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.163 0.235 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.356 0.385 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.692 1.177 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -10.496 1.030 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -8.893 2.850 1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.139 3.357 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.088 3.746 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.713 2.358 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -7.477 2.214 3.596 1.00 0.00 H new ATOM 315 N ILE A 403 -7.285 -1.228 0.385 1.00 0.00 N ATOM 316 CA ILE A 403 -6.971 -1.043 -1.022 1.00 0.00 C ATOM 317 C ILE A 403 -5.513 -0.604 -1.215 1.00 0.00 C ATOM 318 O ILE A 403 -5.174 0.148 -2.133 1.00 0.00 O ATOM 319 CB ILE A 403 -7.958 -0.018 -1.630 1.00 0.00 C ATOM 320 CG1 ILE A 403 -7.884 -0.014 -3.162 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.714 1.375 -1.061 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.110 0.581 -3.827 1.00 0.00 C ATOM 0 H ILE A 403 -6.973 -0.470 0.993 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.082 -1.994 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.968 -0.321 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.003 0.548 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -7.751 -1.037 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.420 2.078 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.851 1.356 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.696 1.689 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.987 0.551 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -9.992 0.006 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.233 1.615 -3.505 1.00 0.00 H new ATOM 334 N CYS A 404 -4.634 -1.179 -0.414 1.00 0.00 N ATOM 335 CA CYS A 404 -3.209 -0.924 -0.546 1.00 0.00 C ATOM 336 C CYS A 404 -2.494 -2.168 -1.066 1.00 0.00 C ATOM 337 O CYS A 404 -2.790 -3.286 -0.636 1.00 0.00 O ATOM 338 CB CYS A 404 -2.625 -0.496 0.800 1.00 0.00 C ATOM 339 SG CYS A 404 -3.482 0.921 1.563 1.00 0.00 S ATOM 0 H CYS A 404 -4.881 -1.826 0.335 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.062 -0.116 -1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.662 -1.342 1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.574 -0.242 0.664 1.00 0.00 H new ATOM 344 N SER A 405 -1.583 -1.984 -2.010 1.00 0.00 N ATOM 345 CA SER A 405 -0.824 -3.097 -2.564 1.00 0.00 C ATOM 346 C SER A 405 0.658 -2.894 -2.302 1.00 0.00 C ATOM 347 O SER A 405 1.144 -1.761 -2.330 1.00 0.00 O ATOM 348 CB SER A 405 -1.087 -3.239 -4.065 1.00 0.00 C ATOM 349 OG SER A 405 -0.385 -4.339 -4.615 1.00 0.00 O ATOM 0 H SER A 405 -1.351 -1.074 -2.409 1.00 0.00 H new ATOM 0 HA SER A 405 -1.147 -4.016 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.156 -3.366 -4.237 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.788 -2.324 -4.576 1.00 0.00 H new ATOM 0 HG SER A 405 -0.576 -4.402 -5.574 1.00 0.00 H new ATOM 355 N TRP A 406 1.347 -3.974 -1.959 1.00 0.00 N ATOM 356 CA TRP A 406 2.752 -3.891 -1.607 1.00 0.00 C ATOM 357 C TRP A 406 3.637 -3.834 -2.849 1.00 0.00 C ATOM 358 O TRP A 406 3.438 -4.568 -3.816 1.00 0.00 O ATOM 359 CB TRP A 406 3.165 -5.071 -0.726 1.00 0.00 C ATOM 360 CG TRP A 406 4.525 -4.908 -0.116 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.632 -5.655 -0.381 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.920 -3.947 0.869 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.689 -5.218 0.370 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.280 -4.174 1.149 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.259 -2.920 1.541 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.987 -3.409 2.069 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.962 -2.163 2.454 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.313 -2.412 2.711 1.00 0.00 C ATOM 0 H TRP A 406 0.954 -4.914 -1.918 1.00 0.00 H new ATOM 0 HA TRP A 406 2.890 -2.967 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.430 -5.196 0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.149 -5.984 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.670 -6.475 -1.083 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.631 -5.609 0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.215 -2.721 1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.032 -3.597 2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.460 -1.364 2.980 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.835 -1.802 3.434 1.00 0.00 H new ATOM 379 N HIS A 407 4.621 -2.961 -2.780 1.00 0.00 N ATOM 380 CA HIS A 407 5.609 -2.763 -3.825 1.00 0.00 C ATOM 381 C HIS A 407 6.930 -3.360 -3.349 1.00 0.00 C ATOM 382 O HIS A 407 7.680 -2.700 -2.633 1.00 0.00 O ATOM 383 CB HIS A 407 5.767 -1.260 -4.064 1.00 0.00 C ATOM 384 CG HIS A 407 6.282 -0.867 -5.411 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.443 -1.363 -5.957 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.802 0.030 -6.307 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.657 -0.787 -7.121 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.677 0.058 -7.359 1.00 0.00 N ATOM 0 H HIS A 407 4.761 -2.352 -1.974 1.00 0.00 H new ATOM 0 HA HIS A 407 5.303 -3.245 -4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.799 -0.783 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.441 -0.860 -3.307 1.00 0.00 H new ATOM 0 HD1 HIS A 407 8.044 -2.067 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.898 0.613 -6.209 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.497 -0.976 -7.772 1.00 0.00 H new ATOM 397 N LYS A 408 7.092 -4.661 -3.562 1.00 0.00 N ATOM 398 CA LYS A 408 8.207 -5.412 -2.981 1.00 0.00 C ATOM 399 C LYS A 408 9.559 -4.789 -3.310 1.00 0.00 C ATOM 400 O LYS A 408 10.345 -4.494 -2.412 1.00 0.00 O ATOM 401 CB LYS A 408 8.177 -6.865 -3.463 1.00 0.00 C ATOM 402 CG LYS A 408 6.967 -7.644 -2.971 1.00 0.00 C ATOM 403 CD LYS A 408 7.010 -9.098 -3.416 1.00 0.00 C ATOM 404 CE LYS A 408 6.895 -9.231 -4.926 1.00 0.00 C ATOM 405 NZ LYS A 408 5.593 -8.727 -5.432 1.00 0.00 N ATOM 0 H LYS A 408 6.463 -5.223 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 408 8.083 -5.380 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.189 -6.878 -4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.084 -7.369 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.924 -7.598 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.057 -7.176 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.942 -9.553 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.198 -9.648 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.706 -8.680 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.013 -10.277 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 5.455 -9.046 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.823 -9.094 -4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.588 -7.687 -5.402 1.00 0.00 H new ATOM 419 N GLU A 409 9.812 -4.548 -4.580 1.00 0.00 N ATOM 420 CA GLU A 409 11.064 -3.934 -4.984 1.00 0.00 C ATOM 421 C GLU A 409 10.825 -2.508 -5.446 1.00 0.00 C ATOM 422 O GLU A 409 10.131 -2.278 -6.433 1.00 0.00 O ATOM 423 CB GLU A 409 11.724 -4.754 -6.097 1.00 0.00 C ATOM 424 CG GLU A 409 12.996 -4.132 -6.652 1.00 0.00 C ATOM 425 CD GLU A 409 14.105 -4.013 -5.624 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.921 -4.455 -4.470 1.00 0.00 O ATOM 427 OE2 GLU A 409 15.175 -3.472 -5.969 1.00 0.00 O ATOM 0 H GLU A 409 9.174 -4.765 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 409 11.736 -3.913 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.955 -5.748 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.010 -4.884 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.350 -4.733 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.766 -3.141 -7.044 1.00 0.00 H new ATOM 434 N VAL A 410 11.418 -1.552 -4.750 1.00 0.00 N ATOM 435 CA VAL A 410 11.282 -0.155 -5.126 1.00 0.00 C ATOM 436 C VAL A 410 12.521 0.322 -5.869 1.00 0.00 C ATOM 437 O VAL A 410 13.652 0.053 -5.457 1.00 0.00 O ATOM 438 CB VAL A 410 11.011 0.753 -3.907 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.652 0.433 -3.316 1.00 0.00 C ATOM 440 CG2 VAL A 410 12.097 0.608 -2.849 1.00 0.00 C ATOM 0 H VAL A 410 11.996 -1.717 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 410 10.418 -0.084 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 410 11.020 1.788 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.468 1.078 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.880 0.601 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.629 -0.610 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.873 1.262 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.135 -0.426 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 410 13.061 0.884 -3.277 1.00 0.00 H new ATOM 450 N LYS A 411 12.304 0.978 -6.993 1.00 0.00 N ATOM 451 CA LYS A 411 13.402 1.445 -7.819 1.00 0.00 C ATOM 452 C LYS A 411 13.913 2.791 -7.325 1.00 0.00 C ATOM 453 O LYS A 411 13.156 3.760 -7.286 1.00 0.00 O ATOM 454 CB LYS A 411 12.956 1.558 -9.277 1.00 0.00 C ATOM 455 CG LYS A 411 14.100 1.811 -10.238 1.00 0.00 C ATOM 456 CD LYS A 411 13.601 1.996 -11.659 1.00 0.00 C ATOM 457 CE LYS A 411 14.743 1.941 -12.658 1.00 0.00 C ATOM 458 NZ LYS A 411 15.423 0.619 -12.645 1.00 0.00 N ATOM 0 H LYS A 411 11.377 1.200 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 411 14.213 0.720 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.445 0.639 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.231 2.367 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 411 14.650 2.699 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.798 0.975 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.872 1.221 -11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.087 2.953 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.361 2.144 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.466 2.724 -12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 15.935 0.483 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.096 0.582 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.715 -0.134 -12.533 1.00 0.00 H new ATOM 472 N ALA A 412 15.220 2.854 -7.057 1.00 0.00 N ATOM 473 CA ALA A 412 15.914 4.081 -6.665 1.00 0.00 C ATOM 474 C ALA A 412 15.388 4.690 -5.358 1.00 0.00 C ATOM 475 O ALA A 412 16.115 4.752 -4.365 1.00 0.00 O ATOM 476 CB ALA A 412 15.858 5.079 -7.801 1.00 0.00 C ATOM 0 H ALA A 412 15.834 2.041 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 412 16.952 3.816 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.375 5.993 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.340 4.655 -8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 412 14.818 5.309 -8.032 1.00 0.00 H new ATOM 482 N GLY A 413 14.138 5.131 -5.357 1.00 0.00 N ATOM 483 CA GLY A 413 13.560 5.733 -4.173 1.00 0.00 C ATOM 484 C GLY A 413 12.058 5.878 -4.284 1.00 0.00 C ATOM 485 O GLY A 413 11.500 6.934 -3.973 1.00 0.00 O ATOM 0 H GLY A 413 13.511 5.082 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.802 5.124 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 413 14.007 6.713 -4.010 1.00 0.00 H new ATOM 489 N GLU A 414 11.409 4.819 -4.752 1.00 0.00 N ATOM 490 CA GLU A 414 9.959 4.801 -4.902 1.00 0.00 C ATOM 491 C GLU A 414 9.264 4.671 -3.544 1.00 0.00 C ATOM 492 O GLU A 414 9.688 5.269 -2.553 1.00 0.00 O ATOM 493 CB GLU A 414 9.546 3.651 -5.826 1.00 0.00 C ATOM 494 CG GLU A 414 9.824 3.922 -7.295 1.00 0.00 C ATOM 495 CD GLU A 414 9.629 2.695 -8.164 1.00 0.00 C ATOM 496 OE1 GLU A 414 9.659 1.565 -7.631 1.00 0.00 O ATOM 497 OE2 GLU A 414 9.479 2.849 -9.394 1.00 0.00 O ATOM 0 H GLU A 414 11.869 3.954 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 414 9.648 5.746 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 414 10.075 2.747 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.482 3.456 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.166 4.718 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 414 10.847 4.282 -7.406 1.00 0.00 H new ATOM 504 N LYS A 415 8.202 3.887 -3.503 1.00 0.00 N ATOM 505 CA LYS A 415 7.443 3.683 -2.279 1.00 0.00 C ATOM 506 C LYS A 415 6.904 2.262 -2.250 1.00 0.00 C ATOM 507 O LYS A 415 6.572 1.709 -3.295 1.00 0.00 O ATOM 508 CB LYS A 415 6.293 4.693 -2.200 1.00 0.00 C ATOM 509 CG LYS A 415 5.390 4.515 -0.987 1.00 0.00 C ATOM 510 CD LYS A 415 6.121 4.782 0.320 1.00 0.00 C ATOM 511 CE LYS A 415 6.434 6.257 0.499 1.00 0.00 C ATOM 512 NZ LYS A 415 7.216 6.507 1.738 1.00 0.00 N ATOM 0 H LYS A 415 7.842 3.377 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 415 8.094 3.834 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.709 5.700 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.689 4.611 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.538 5.190 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.993 3.500 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.512 4.436 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.048 4.208 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.994 6.617 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.504 6.825 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.411 7.525 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.671 6.186 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.115 5.985 1.693 1.00 0.00 H new ATOM 526 N ASN A 416 6.979 1.621 -1.090 1.00 0.00 N ATOM 527 CA ASN A 416 6.592 0.221 -0.978 1.00 0.00 C ATOM 528 C ASN A 416 5.083 0.068 -0.830 1.00 0.00 C ATOM 529 O ASN A 416 4.517 -0.923 -1.263 1.00 0.00 O ATOM 530 CB ASN A 416 7.295 -0.479 0.188 1.00 0.00 C ATOM 531 CG ASN A 416 8.792 -0.620 -0.009 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.533 0.364 0.020 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.245 -1.847 -0.221 1.00 0.00 N ATOM 0 H ASN A 416 7.302 2.045 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 416 6.907 -0.257 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.108 0.081 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.859 -1.469 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.242 -2.004 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.597 -2.634 -0.237 1.00 0.00 H new ATOM 540 N CYS A 417 4.422 1.016 -0.193 1.00 0.00 N ATOM 541 CA CYS A 417 2.979 0.914 -0.033 1.00 0.00 C ATOM 542 C CYS A 417 2.276 2.061 -0.741 1.00 0.00 C ATOM 543 O CYS A 417 2.661 3.221 -0.604 1.00 0.00 O ATOM 544 CB CYS A 417 2.595 0.879 1.443 1.00 0.00 C ATOM 545 SG CYS A 417 0.864 0.378 1.730 1.00 0.00 S ATOM 0 H CYS A 417 4.847 1.849 0.215 1.00 0.00 H new ATOM 0 HA CYS A 417 2.655 -0.021 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.257 0.189 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.756 1.866 1.876 1.00 0.00 H new ATOM 550 N GLN A 418 1.281 1.722 -1.549 1.00 0.00 N ATOM 551 CA GLN A 418 0.566 2.713 -2.335 1.00 0.00 C ATOM 552 C GLN A 418 -0.814 2.211 -2.722 1.00 0.00 C ATOM 553 O GLN A 418 -1.092 1.007 -2.672 1.00 0.00 O ATOM 554 CB GLN A 418 1.345 3.088 -3.602 1.00 0.00 C ATOM 555 CG GLN A 418 1.682 1.905 -4.494 1.00 0.00 C ATOM 556 CD GLN A 418 2.960 1.211 -4.085 1.00 0.00 C ATOM 557 OE1 GLN A 418 4.041 1.773 -4.220 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.851 -0.006 -3.574 1.00 0.00 N ATOM 0 H GLN A 418 0.951 0.765 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 418 0.461 3.601 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.761 3.807 -4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.270 3.587 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.860 1.189 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 418 1.773 2.247 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.932 -0.439 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 418 3.686 -0.511 -3.276 1.00 0.00 H new ATOM 567 N PHE A 419 -1.663 3.150 -3.108 1.00 0.00 N ATOM 568 CA PHE A 419 -3.020 2.861 -3.543 1.00 0.00 C ATOM 569 C PHE A 419 -2.990 1.990 -4.797 1.00 0.00 C ATOM 570 O PHE A 419 -2.397 2.378 -5.804 1.00 0.00 O ATOM 571 CB PHE A 419 -3.720 4.192 -3.835 1.00 0.00 C ATOM 572 CG PHE A 419 -5.150 4.075 -4.243 1.00 0.00 C ATOM 573 CD1 PHE A 419 -6.066 3.472 -3.409 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.578 4.577 -5.460 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.393 3.372 -3.779 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.901 4.479 -5.838 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.812 3.874 -4.996 1.00 0.00 C ATOM 0 H PHE A 419 -1.428 4.142 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.560 2.319 -2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.662 4.819 -2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.173 4.707 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.744 3.074 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.868 5.051 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -8.104 2.901 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.223 4.875 -6.790 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.849 3.793 -5.287 1.00 0.00 H new ATOM 587 N ASN A 420 -3.585 0.801 -4.729 1.00 0.00 N ATOM 588 CA ASN A 420 -3.573 -0.111 -5.872 1.00 0.00 C ATOM 589 C ASN A 420 -4.659 0.243 -6.876 1.00 0.00 C ATOM 590 O ASN A 420 -4.651 -0.253 -8.002 1.00 0.00 O ATOM 591 CB ASN A 420 -3.700 -1.580 -5.443 1.00 0.00 C ATOM 592 CG ASN A 420 -4.969 -1.912 -4.680 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.075 -1.591 -5.101 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.811 -2.601 -3.561 1.00 0.00 N ATOM 0 H ASN A 420 -4.075 0.449 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.603 0.010 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.652 -2.209 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.842 -1.838 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.626 -2.884 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.874 -2.849 -3.243 1.00 0.00 H new ATOM 601 N SER A 421 -5.600 1.083 -6.444 1.00 0.00 N ATOM 602 CA SER A 421 -6.707 1.546 -7.283 1.00 0.00 C ATOM 603 C SER A 421 -7.751 0.454 -7.505 1.00 0.00 C ATOM 604 O SER A 421 -8.944 0.678 -7.286 1.00 0.00 O ATOM 605 CB SER A 421 -6.178 2.083 -8.625 1.00 0.00 C ATOM 606 OG SER A 421 -7.223 2.547 -9.465 1.00 0.00 O ATOM 0 H SER A 421 -5.616 1.463 -5.498 1.00 0.00 H new ATOM 0 HA SER A 421 -7.203 2.359 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.476 2.896 -8.438 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.625 1.296 -9.137 1.00 0.00 H new ATOM 0 HG SER A 421 -6.844 2.880 -10.305 1.00 0.00 H new ATOM 612 N THR A 422 -7.311 -0.723 -7.906 1.00 0.00 N ATOM 613 CA THR A 422 -8.223 -1.819 -8.139 1.00 0.00 C ATOM 614 C THR A 422 -7.758 -3.081 -7.425 1.00 0.00 C ATOM 615 O THR A 422 -6.788 -3.718 -7.841 1.00 0.00 O ATOM 616 CB THR A 422 -8.365 -2.103 -9.643 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.432 -0.866 -10.368 1.00 0.00 O ATOM 618 CG2 THR A 422 -9.616 -2.916 -9.916 1.00 0.00 C ATOM 0 H THR A 422 -6.329 -0.942 -8.076 1.00 0.00 H new ATOM 0 HA THR A 422 -9.194 -1.526 -7.739 1.00 0.00 H new ATOM 0 HB THR A 422 -7.495 -2.673 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 422 -8.521 -1.053 -11.326 1.00 0.00 H new ATOM 0 HG21 THR A 422 -9.699 -3.107 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.558 -3.864 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.491 -2.362 -9.577 1.00 0.00 H new ATOM 626 N LYS A 423 -8.504 -3.456 -6.392 1.00 0.00 N ATOM 627 CA LYS A 423 -8.268 -4.686 -5.642 1.00 0.00 C ATOM 628 C LYS A 423 -9.250 -4.777 -4.480 1.00 0.00 C ATOM 629 O LYS A 423 -9.787 -5.846 -4.185 1.00 0.00 O ATOM 630 CB LYS A 423 -6.835 -4.768 -5.103 1.00 0.00 C ATOM 631 CG LYS A 423 -6.493 -6.142 -4.545 1.00 0.00 C ATOM 632 CD LYS A 423 -5.060 -6.222 -4.045 1.00 0.00 C ATOM 633 CE LYS A 423 -4.056 -6.217 -5.187 1.00 0.00 C ATOM 634 NZ LYS A 423 -2.684 -6.540 -4.713 1.00 0.00 N ATOM 0 H LYS A 423 -9.295 -2.912 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.415 -5.520 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -6.136 -4.521 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.702 -4.020 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -7.174 -6.380 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.648 -6.894 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.860 -5.380 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -4.932 -7.129 -3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.360 -6.941 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -4.055 -5.238 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.092 -5.686 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -2.727 -6.884 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.271 -7.277 -5.320 1.00 0.00 H new ATOM 648 N ALA A 424 -9.485 -3.644 -3.822 1.00 0.00 N ATOM 649 CA ALA A 424 -10.394 -3.598 -2.681 1.00 0.00 C ATOM 650 C ALA A 424 -11.830 -3.855 -3.105 1.00 0.00 C ATOM 651 O ALA A 424 -12.314 -3.273 -4.079 1.00 0.00 O ATOM 652 CB ALA A 424 -10.300 -2.258 -1.974 1.00 0.00 C ATOM 0 H ALA A 424 -9.059 -2.748 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 424 -10.093 -4.387 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.986 -2.245 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.281 -2.105 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.566 -1.461 -2.668 1.00 0.00 H new ATOM 658 N SER A 425 -12.517 -4.693 -2.350 1.00 0.00 N ATOM 659 CA SER A 425 -13.916 -4.976 -2.609 1.00 0.00 C ATOM 660 C SER A 425 -14.785 -3.842 -2.080 1.00 0.00 C ATOM 661 O SER A 425 -14.597 -3.386 -0.950 1.00 0.00 O ATOM 662 CB SER A 425 -14.311 -6.298 -1.953 1.00 0.00 C ATOM 663 OG SER A 425 -13.424 -7.333 -2.336 1.00 0.00 O ATOM 0 H SER A 425 -12.127 -5.191 -1.550 1.00 0.00 H new ATOM 0 HA SER A 425 -14.069 -5.059 -3.685 1.00 0.00 H new ATOM 0 HB2 SER A 425 -14.302 -6.188 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 425 -15.329 -6.561 -2.239 1.00 0.00 H new ATOM 0 HG SER A 425 -13.693 -8.171 -1.904 1.00 0.00 H new ATOM 669 N LYS A 426 -15.708 -3.371 -2.916 1.00 0.00 N ATOM 670 CA LYS A 426 -16.612 -2.276 -2.555 1.00 0.00 C ATOM 671 C LYS A 426 -15.830 -1.010 -2.215 1.00 0.00 C ATOM 672 O LYS A 426 -16.088 -0.355 -1.202 1.00 0.00 O ATOM 673 CB LYS A 426 -17.525 -2.667 -1.379 1.00 0.00 C ATOM 674 CG LYS A 426 -18.602 -3.687 -1.731 1.00 0.00 C ATOM 675 CD LYS A 426 -18.029 -5.081 -1.929 1.00 0.00 C ATOM 676 CE LYS A 426 -19.088 -6.054 -2.418 1.00 0.00 C ATOM 677 NZ LYS A 426 -19.634 -5.665 -3.745 1.00 0.00 N ATOM 0 H LYS A 426 -15.852 -3.734 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 426 -17.240 -2.074 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -16.909 -3.070 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -18.005 -1.768 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -19.349 -3.712 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -19.114 -3.374 -2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -17.211 -5.040 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -17.610 -5.440 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -18.659 -7.054 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -19.900 -6.101 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -20.110 -6.482 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -20.317 -4.890 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -18.858 -5.350 -4.361 1.00 0.00 H new ATOM 691 N SER A 427 -14.867 -0.670 -3.062 1.00 0.00 N ATOM 692 CA SER A 427 -14.040 0.512 -2.859 1.00 0.00 C ATOM 693 C SER A 427 -13.537 1.027 -4.206 1.00 0.00 C ATOM 694 O SER A 427 -12.901 2.101 -4.240 1.00 0.00 O ATOM 695 CB SER A 427 -12.856 0.191 -1.939 1.00 0.00 C ATOM 696 OG SER A 427 -13.297 -0.381 -0.716 1.00 0.00 O ATOM 697 OXT SER A 427 -13.796 0.360 -5.233 1.00 0.00 O ATOM 0 H SER A 427 -14.638 -1.201 -3.902 1.00 0.00 H new ATOM 0 HA SER A 427 -14.643 1.285 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 427 -12.177 -0.498 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 427 -12.293 1.102 -1.735 1.00 0.00 H new ATOM 0 HG SER A 427 -12.522 -0.577 -0.149 1.00 0.00 H new TER 703 SER A 427