USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=9 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 -60:sc= -1.03! USER MOD Set 1.2: A 420 ASN : amide:sc= -3.03 K(o=-4.1,f=-8.4!) USER MOD Set 1.3: A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.16) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 82:sc= 1.28 USER MOD Single : A 397 LYS NZ :NH3+ -163:sc= -0.0453 (180deg=-0.37) USER MOD Single : A 399 SER OG : rot 169:sc= 1.26 USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 407 HIS : no HE2:sc= -0.184 K(o=-0.18,f=-0.78) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 415 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.086) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 418 GLN : amide:sc= 0.387 K(o=0.39,f=-0.18) 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 -7.491 10.501 1.108 1.00 0.00 N ATOM 33 CA SER A 384 -6.305 10.541 0.269 1.00 0.00 C ATOM 34 C SER A 384 -5.659 9.160 0.270 1.00 0.00 C ATOM 35 O SER A 384 -4.652 8.936 0.942 1.00 0.00 O ATOM 36 CB SER A 384 -5.321 11.602 0.781 1.00 0.00 C ATOM 37 OG SER A 384 -4.358 11.936 -0.207 1.00 0.00 O ATOM 0 HA SER A 384 -6.583 10.812 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.869 12.497 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.816 11.231 1.673 1.00 0.00 H new ATOM 0 HG SER A 384 -3.747 12.615 0.148 1.00 0.00 H new ATOM 43 N PRO A 385 -6.316 8.182 -0.380 1.00 0.00 N ATOM 44 CA PRO A 385 -5.894 6.777 -0.355 1.00 0.00 C ATOM 45 C PRO A 385 -4.430 6.570 -0.729 1.00 0.00 C ATOM 46 O PRO A 385 -3.751 5.732 -0.141 1.00 0.00 O ATOM 47 CB PRO A 385 -6.802 6.119 -1.387 1.00 0.00 C ATOM 48 CG PRO A 385 -8.033 6.951 -1.401 1.00 0.00 C ATOM 49 CD PRO A 385 -7.597 8.356 -1.094 1.00 0.00 C ATOM 0 HA PRO A 385 -5.976 6.360 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.331 6.095 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.026 5.087 -1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.525 6.900 -2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.750 6.596 -0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.471 8.943 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.330 8.876 -0.478 1.00 0.00 H new ATOM 57 N GLU A 386 -3.936 7.354 -1.680 1.00 0.00 N ATOM 58 CA GLU A 386 -2.540 7.260 -2.092 1.00 0.00 C ATOM 59 C GLU A 386 -1.623 7.568 -0.911 1.00 0.00 C ATOM 60 O GLU A 386 -0.773 6.756 -0.546 1.00 0.00 O ATOM 61 CB GLU A 386 -2.264 8.228 -3.246 1.00 0.00 C ATOM 62 CG GLU A 386 -0.870 8.111 -3.849 1.00 0.00 C ATOM 63 CD GLU A 386 -0.645 6.806 -4.589 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.380 5.771 -3.939 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.732 6.806 -5.836 1.00 0.00 O ATOM 0 H GLU A 386 -4.478 8.059 -2.179 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.341 6.244 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.001 8.057 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.408 9.248 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.707 8.942 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.129 8.203 -3.055 1.00 0.00 H new ATOM 72 N ALA A 387 -1.882 8.692 -0.250 1.00 0.00 N ATOM 73 CA ALA A 387 -1.127 9.080 0.937 1.00 0.00 C ATOM 74 C ALA A 387 -1.363 8.097 2.079 1.00 0.00 C ATOM 75 O ALA A 387 -0.434 7.746 2.813 1.00 0.00 O ATOM 76 CB ALA A 387 -1.501 10.492 1.364 1.00 0.00 C ATOM 0 H ALA A 387 -2.612 9.352 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.066 9.060 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.930 10.767 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.275 11.188 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.566 10.533 1.591 1.00 0.00 H new ATOM 82 N GLU A 388 -2.611 7.654 2.216 1.00 0.00 N ATOM 83 CA GLU A 388 -2.991 6.709 3.259 1.00 0.00 C ATOM 84 C GLU A 388 -2.232 5.397 3.114 1.00 0.00 C ATOM 85 O GLU A 388 -1.730 4.857 4.097 1.00 0.00 O ATOM 86 CB GLU A 388 -4.501 6.461 3.238 1.00 0.00 C ATOM 87 CG GLU A 388 -5.322 7.653 3.713 1.00 0.00 C ATOM 88 CD GLU A 388 -6.813 7.428 3.573 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.317 6.417 4.104 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.491 8.263 2.932 1.00 0.00 O ATOM 0 H GLU A 388 -3.381 7.939 1.611 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.725 7.147 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.804 6.203 2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.728 5.600 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.086 7.859 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.037 8.536 3.142 1.00 0.00 H new ATOM 97 N CYS A 389 -2.103 4.907 1.893 1.00 0.00 N ATOM 98 CA CYS A 389 -1.324 3.710 1.649 1.00 0.00 C ATOM 99 C CYS A 389 0.170 3.996 1.805 1.00 0.00 C ATOM 100 O CYS A 389 0.904 3.199 2.380 1.00 0.00 O ATOM 101 CB CYS A 389 -1.617 3.172 0.251 1.00 0.00 C ATOM 102 SG CYS A 389 -3.319 2.555 0.034 1.00 0.00 S ATOM 0 H CYS A 389 -2.526 5.318 1.061 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.606 2.957 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.433 3.962 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.918 2.365 0.030 1.00 0.00 H new ATOM 107 N ASN A 390 0.611 5.137 1.287 1.00 0.00 N ATOM 108 CA ASN A 390 2.034 5.500 1.294 1.00 0.00 C ATOM 109 C ASN A 390 2.617 5.597 2.704 1.00 0.00 C ATOM 110 O ASN A 390 3.821 5.417 2.890 1.00 0.00 O ATOM 111 CB ASN A 390 2.254 6.820 0.551 1.00 0.00 C ATOM 112 CG ASN A 390 2.272 6.651 -0.960 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.278 7.631 -1.703 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.308 5.412 -1.433 1.00 0.00 N ATOM 0 H ASN A 390 0.005 5.833 0.854 1.00 0.00 H new ATOM 0 HA ASN A 390 2.561 4.695 0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.465 7.521 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.197 7.260 0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.342 5.251 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.302 4.620 -0.790 1.00 0.00 H new ATOM 121 N LYS A 391 1.789 5.957 3.676 1.00 0.00 N ATOM 122 CA LYS A 391 2.262 6.125 5.049 1.00 0.00 C ATOM 123 C LYS A 391 2.609 4.777 5.680 1.00 0.00 C ATOM 124 O LYS A 391 3.389 4.712 6.630 1.00 0.00 O ATOM 125 CB LYS A 391 1.224 6.860 5.906 1.00 0.00 C ATOM 126 CG LYS A 391 -0.029 6.051 6.193 1.00 0.00 C ATOM 127 CD LYS A 391 -1.037 6.841 7.009 1.00 0.00 C ATOM 128 CE LYS A 391 -2.300 6.035 7.261 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.308 6.819 8.016 1.00 0.00 N ATOM 0 H LYS A 391 0.794 6.138 3.544 1.00 0.00 H new ATOM 0 HA LYS A 391 3.167 6.731 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.685 7.143 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.940 7.783 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.485 5.742 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.241 5.142 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -0.591 7.129 7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -1.290 7.762 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -2.725 5.717 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -2.050 5.131 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -4.156 6.237 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.911 7.102 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.564 7.669 7.474 1.00 0.00 H new ATOM 143 N ILE A 392 1.999 3.711 5.174 1.00 0.00 N ATOM 144 CA ILE A 392 2.236 2.375 5.702 1.00 0.00 C ATOM 145 C ILE A 392 3.631 1.885 5.322 1.00 0.00 C ATOM 146 O ILE A 392 4.022 1.945 4.158 1.00 0.00 O ATOM 147 CB ILE A 392 1.184 1.367 5.191 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.235 1.873 5.476 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.396 0.004 5.830 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.517 2.129 6.942 1.00 0.00 C ATOM 0 H ILE A 392 1.337 3.747 4.399 1.00 0.00 H new ATOM 0 HA ILE A 392 2.156 2.440 6.787 1.00 0.00 H new ATOM 0 HB ILE A 392 1.304 1.268 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.399 2.795 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.952 1.142 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.645 -0.693 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.390 -0.365 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.305 0.092 6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.541 2.484 7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.387 1.204 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.174 2.883 7.319 1.00 0.00 H new ATOM 162 N THR A 393 4.384 1.432 6.312 1.00 0.00 N ATOM 163 CA THR A 393 5.745 0.969 6.088 1.00 0.00 C ATOM 164 C THR A 393 5.836 -0.554 6.122 1.00 0.00 C ATOM 165 O THR A 393 6.786 -1.141 5.604 1.00 0.00 O ATOM 166 CB THR A 393 6.713 1.559 7.133 1.00 0.00 C ATOM 167 OG1 THR A 393 6.202 1.337 8.454 1.00 0.00 O ATOM 168 CG2 THR A 393 6.915 3.049 6.905 1.00 0.00 C ATOM 0 H THR A 393 4.074 1.375 7.282 1.00 0.00 H new ATOM 0 HA THR A 393 6.033 1.314 5.095 1.00 0.00 H new ATOM 0 HB THR A 393 7.676 1.059 7.027 1.00 0.00 H new ATOM 0 HG1 THR A 393 6.426 0.428 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.602 3.442 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.331 3.212 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.957 3.563 6.986 1.00 0.00 H new ATOM 176 N GLU A 394 4.918 -1.180 6.841 1.00 0.00 N ATOM 177 CA GLU A 394 4.963 -2.624 7.034 1.00 0.00 C ATOM 178 C GLU A 394 4.197 -3.353 5.938 1.00 0.00 C ATOM 179 O GLU A 394 3.122 -2.915 5.523 1.00 0.00 O ATOM 180 CB GLU A 394 4.397 -2.994 8.403 1.00 0.00 C ATOM 181 CG GLU A 394 4.983 -2.183 9.547 1.00 0.00 C ATOM 182 CD GLU A 394 6.493 -2.113 9.506 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.147 -3.179 9.470 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.035 -0.988 9.516 1.00 0.00 O ATOM 0 H GLU A 394 4.135 -0.715 7.300 1.00 0.00 H new ATOM 0 HA GLU A 394 6.006 -2.935 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.316 -2.856 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.581 -4.052 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 394 4.577 -1.172 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.670 -2.622 10.494 1.00 0.00 H new ATOM 191 N GLU A 395 4.718 -4.502 5.522 1.00 0.00 N ATOM 192 CA GLU A 395 4.061 -5.326 4.522 1.00 0.00 C ATOM 193 C GLU A 395 2.749 -5.891 5.069 1.00 0.00 C ATOM 194 O GLU A 395 1.706 -5.671 4.470 1.00 0.00 O ATOM 195 CB GLU A 395 5.000 -6.444 4.040 1.00 0.00 C ATOM 196 CG GLU A 395 4.416 -7.336 2.951 1.00 0.00 C ATOM 197 CD GLU A 395 3.769 -8.592 3.499 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.471 -9.384 4.157 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.562 -8.801 3.257 1.00 0.00 O ATOM 0 H GLU A 395 5.599 -4.883 5.866 1.00 0.00 H new ATOM 0 HA GLU A 395 3.820 -4.703 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.920 -5.993 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.272 -7.065 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.677 -6.771 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.207 -7.615 2.255 1.00 0.00 H new ATOM 206 N PRO A 396 2.753 -6.569 6.242 1.00 0.00 N ATOM 207 CA PRO A 396 1.520 -7.110 6.828 1.00 0.00 C ATOM 208 C PRO A 396 0.459 -6.031 7.057 1.00 0.00 C ATOM 209 O PRO A 396 -0.726 -6.251 6.802 1.00 0.00 O ATOM 210 CB PRO A 396 1.975 -7.709 8.161 1.00 0.00 C ATOM 211 CG PRO A 396 3.435 -7.944 8.001 1.00 0.00 C ATOM 212 CD PRO A 396 3.927 -6.854 7.096 1.00 0.00 C ATOM 0 HA PRO A 396 1.048 -7.836 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.773 -7.029 8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.447 -8.638 8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.944 -7.912 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.628 -8.927 7.571 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.239 -5.974 7.658 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.785 -7.177 6.506 1.00 0.00 H new ATOM 220 N LYS A 397 0.898 -4.852 7.493 1.00 0.00 N ATOM 221 CA LYS A 397 -0.009 -3.727 7.709 1.00 0.00 C ATOM 222 C LYS A 397 -0.587 -3.230 6.392 1.00 0.00 C ATOM 223 O LYS A 397 -1.771 -2.921 6.300 1.00 0.00 O ATOM 224 CB LYS A 397 0.702 -2.582 8.429 1.00 0.00 C ATOM 225 CG LYS A 397 1.027 -2.889 9.879 1.00 0.00 C ATOM 226 CD LYS A 397 1.594 -1.677 10.598 1.00 0.00 C ATOM 227 CE LYS A 397 1.851 -1.973 12.064 1.00 0.00 C ATOM 228 NZ LYS A 397 0.611 -2.373 12.774 1.00 0.00 N ATOM 0 H LYS A 397 1.876 -4.651 7.703 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.827 -4.081 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.626 -2.348 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.075 -1.691 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.125 -3.226 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.745 -3.708 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.524 -1.370 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.899 -0.842 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.591 -2.769 12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.275 -1.091 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.756 -2.287 13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -0.172 -1.753 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.379 -3.359 12.538 1.00 0.00 H new ATOM 242 N CYS A 398 0.251 -3.160 5.371 1.00 0.00 N ATOM 243 CA CYS A 398 -0.202 -2.742 4.051 1.00 0.00 C ATOM 244 C CYS A 398 -1.111 -3.806 3.455 1.00 0.00 C ATOM 245 O CYS A 398 -2.086 -3.504 2.773 1.00 0.00 O ATOM 246 CB CYS A 398 0.990 -2.503 3.125 1.00 0.00 C ATOM 247 SG CYS A 398 0.542 -1.749 1.532 1.00 0.00 S ATOM 0 H CYS A 398 1.244 -3.386 5.428 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.756 -1.809 4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.709 -1.859 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.490 -3.454 2.939 1.00 0.00 H new ATOM 252 N SER A 399 -0.740 -5.052 3.687 1.00 0.00 N ATOM 253 CA SER A 399 -1.456 -6.195 3.162 1.00 0.00 C ATOM 254 C SER A 399 -2.845 -6.337 3.784 1.00 0.00 C ATOM 255 O SER A 399 -3.800 -6.679 3.087 1.00 0.00 O ATOM 256 CB SER A 399 -0.611 -7.448 3.378 1.00 0.00 C ATOM 257 OG SER A 399 0.477 -7.463 2.472 1.00 0.00 O ATOM 0 H SER A 399 0.074 -5.299 4.250 1.00 0.00 H new ATOM 0 HA SER A 399 -1.619 -6.050 2.094 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.241 -7.474 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.224 -8.338 3.237 1.00 0.00 H new ATOM 0 HG SER A 399 1.108 -8.167 2.731 1.00 0.00 H new ATOM 263 N GLU A 400 -2.975 -6.029 5.072 1.00 0.00 N ATOM 264 CA GLU A 400 -4.278 -6.078 5.726 1.00 0.00 C ATOM 265 C GLU A 400 -5.175 -4.957 5.205 1.00 0.00 C ATOM 266 O GLU A 400 -6.396 -5.117 5.112 1.00 0.00 O ATOM 267 CB GLU A 400 -4.147 -6.016 7.256 1.00 0.00 C ATOM 268 CG GLU A 400 -3.543 -4.729 7.787 1.00 0.00 C ATOM 269 CD GLU A 400 -3.428 -4.712 9.297 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.469 -4.779 9.980 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.292 -4.631 9.815 1.00 0.00 O ATOM 0 H GLU A 400 -2.204 -5.746 5.677 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.741 -7.034 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.135 -6.148 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.535 -6.854 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -2.554 -4.591 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -4.155 -3.886 7.465 1.00 0.00 H new ATOM 278 N GLU A 401 -4.555 -3.863 4.761 1.00 0.00 N ATOM 279 CA GLU A 401 -5.284 -2.779 4.116 1.00 0.00 C ATOM 280 C GLU A 401 -5.880 -3.259 2.797 1.00 0.00 C ATOM 281 O GLU A 401 -5.261 -4.039 2.072 1.00 0.00 O ATOM 282 CB GLU A 401 -4.376 -1.569 3.876 1.00 0.00 C ATOM 283 CG GLU A 401 -3.913 -0.875 5.149 1.00 0.00 C ATOM 284 CD GLU A 401 -5.056 -0.264 5.936 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.903 -1.021 6.457 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.114 0.982 6.037 1.00 0.00 O ATOM 0 H GLU A 401 -3.550 -3.707 4.838 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.091 -2.470 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.501 -1.892 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.907 -0.848 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.388 -1.594 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.197 -0.094 4.892 1.00 0.00 H new ATOM 293 N LYS A 402 -7.129 -2.905 2.564 1.00 0.00 N ATOM 294 CA LYS A 402 -7.868 -3.406 1.411 1.00 0.00 C ATOM 295 C LYS A 402 -7.419 -2.760 0.096 1.00 0.00 C ATOM 296 O LYS A 402 -7.286 -3.441 -0.920 1.00 0.00 O ATOM 297 CB LYS A 402 -9.370 -3.189 1.627 1.00 0.00 C ATOM 298 CG LYS A 402 -9.736 -1.756 1.976 1.00 0.00 C ATOM 299 CD LYS A 402 -11.217 -1.608 2.247 1.00 0.00 C ATOM 300 CE LYS A 402 -11.577 -0.156 2.501 1.00 0.00 C ATOM 301 NZ LYS A 402 -13.046 0.052 2.554 1.00 0.00 N ATOM 0 H LYS A 402 -7.660 -2.269 3.159 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.656 -4.472 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.904 -3.481 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.712 -3.847 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.172 -1.439 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.448 -1.097 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.786 -1.985 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.495 -2.213 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.131 0.169 3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -11.151 0.466 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -13.248 1.057 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -13.470 -0.234 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -13.450 -0.521 3.322 1.00 0.00 H new ATOM 315 N ILE A 403 -7.295 -1.441 0.082 1.00 0.00 N ATOM 316 CA ILE A 403 -7.014 -0.721 -1.154 1.00 0.00 C ATOM 317 C ILE A 403 -5.524 -0.355 -1.257 1.00 0.00 C ATOM 318 O ILE A 403 -5.080 0.288 -2.212 1.00 0.00 O ATOM 319 CB ILE A 403 -7.936 0.528 -1.264 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.578 0.609 -2.659 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.208 1.822 -0.913 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.596 0.714 -3.799 1.00 0.00 C ATOM 0 H ILE A 403 -7.384 -0.849 0.908 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.233 -1.372 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.729 0.408 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -9.197 -0.275 -2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.242 1.473 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -7.895 2.663 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -6.839 1.766 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.368 1.963 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.139 0.766 -4.743 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.992 1.613 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.947 -0.161 -3.802 1.00 0.00 H new ATOM 334 N CYS A 404 -4.732 -0.931 -0.372 1.00 0.00 N ATOM 335 CA CYS A 404 -3.288 -0.775 -0.436 1.00 0.00 C ATOM 336 C CYS A 404 -2.628 -2.093 -0.826 1.00 0.00 C ATOM 337 O CYS A 404 -3.044 -3.160 -0.373 1.00 0.00 O ATOM 338 CB CYS A 404 -2.748 -0.300 0.912 1.00 0.00 C ATOM 339 SG CYS A 404 -3.543 1.214 1.542 1.00 0.00 S ATOM 0 H CYS A 404 -5.062 -1.511 0.399 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.054 -0.028 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.878 -1.097 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.676 -0.123 0.820 1.00 0.00 H new ATOM 344 N SER A 405 -1.621 -2.023 -1.683 1.00 0.00 N ATOM 345 CA SER A 405 -0.913 -3.217 -2.121 1.00 0.00 C ATOM 346 C SER A 405 0.591 -3.015 -2.004 1.00 0.00 C ATOM 347 O SER A 405 1.086 -1.890 -2.108 1.00 0.00 O ATOM 348 CB SER A 405 -1.302 -3.565 -3.557 1.00 0.00 C ATOM 349 OG SER A 405 -2.681 -3.887 -3.640 1.00 0.00 O ATOM 0 H SER A 405 -1.276 -1.153 -2.089 1.00 0.00 H new ATOM 0 HA SER A 405 -1.197 -4.049 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.080 -2.723 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.705 -4.408 -3.906 1.00 0.00 H new ATOM 0 HG SER A 405 -2.872 -4.658 -3.066 1.00 0.00 H new ATOM 355 N TRP A 406 1.288 -4.072 -1.616 1.00 0.00 N ATOM 356 CA TRP A 406 2.705 -3.971 -1.316 1.00 0.00 C ATOM 357 C TRP A 406 3.557 -3.991 -2.579 1.00 0.00 C ATOM 358 O TRP A 406 3.519 -4.936 -3.369 1.00 0.00 O ATOM 359 CB TRP A 406 3.128 -5.104 -0.380 1.00 0.00 C ATOM 360 CG TRP A 406 4.490 -4.914 0.209 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.592 -5.688 -0.010 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.891 -3.899 1.136 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.656 -5.204 0.701 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.255 -4.113 1.421 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.237 -2.830 1.751 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.968 -3.299 2.291 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.949 -2.024 2.617 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.303 -2.263 2.880 1.00 0.00 C ATOM 0 H TRP A 406 0.895 -5.007 -1.502 1.00 0.00 H new ATOM 0 HA TRP A 406 2.868 -3.013 -0.823 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.400 -5.189 0.427 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.106 -6.045 -0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.620 -6.556 -0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.598 -5.595 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.193 -2.637 1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.013 -3.480 2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.453 -1.195 3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.832 -1.615 3.563 1.00 0.00 H new ATOM 379 N HIS A 407 4.370 -2.963 -2.713 1.00 0.00 N ATOM 380 CA HIS A 407 5.327 -2.829 -3.797 1.00 0.00 C ATOM 381 C HIS A 407 6.668 -3.378 -3.319 1.00 0.00 C ATOM 382 O HIS A 407 7.401 -2.685 -2.616 1.00 0.00 O ATOM 383 CB HIS A 407 5.455 -1.343 -4.151 1.00 0.00 C ATOM 384 CG HIS A 407 5.994 -1.033 -5.506 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.184 -1.520 -5.983 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.512 -0.212 -6.464 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.412 -1.010 -7.173 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.410 -0.218 -7.495 1.00 0.00 N ATOM 0 H HIS A 407 4.386 -2.180 -2.059 1.00 0.00 H new ATOM 0 HA HIS A 407 5.004 -3.380 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.471 -0.883 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.098 -0.868 -3.410 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.795 -2.174 -5.493 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.588 0.346 -6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.279 -1.208 -7.786 1.00 0.00 H new ATOM 397 N LYS A 408 6.874 -4.674 -3.525 1.00 0.00 N ATOM 398 CA LYS A 408 8.020 -5.385 -2.949 1.00 0.00 C ATOM 399 C LYS A 408 9.351 -4.698 -3.256 1.00 0.00 C ATOM 400 O LYS A 408 10.084 -4.315 -2.343 1.00 0.00 O ATOM 401 CB LYS A 408 8.075 -6.819 -3.478 1.00 0.00 C ATOM 402 CG LYS A 408 6.856 -7.658 -3.133 1.00 0.00 C ATOM 403 CD LYS A 408 6.939 -9.048 -3.747 1.00 0.00 C ATOM 404 CE LYS A 408 8.111 -9.841 -3.190 1.00 0.00 C ATOM 405 NZ LYS A 408 8.226 -11.179 -3.824 1.00 0.00 N ATOM 0 H LYS A 408 6.260 -5.261 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 408 7.876 -5.381 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.187 -6.790 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.963 -7.308 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.767 -7.743 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.956 -7.156 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.011 -9.587 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.039 -8.962 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 408 9.034 -9.284 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.991 -9.959 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 9.037 -11.688 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.355 -11.721 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 8.367 -11.067 -4.848 1.00 0.00 H new ATOM 419 N GLU A 409 9.677 -4.593 -4.536 1.00 0.00 N ATOM 420 CA GLU A 409 10.941 -4.005 -4.952 1.00 0.00 C ATOM 421 C GLU A 409 10.746 -2.548 -5.336 1.00 0.00 C ATOM 422 O GLU A 409 9.950 -2.235 -6.217 1.00 0.00 O ATOM 423 CB GLU A 409 11.530 -4.781 -6.131 1.00 0.00 C ATOM 424 CG GLU A 409 12.888 -4.267 -6.582 1.00 0.00 C ATOM 425 CD GLU A 409 13.416 -5.000 -7.798 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.757 -4.954 -8.859 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.490 -5.625 -7.700 1.00 0.00 O ATOM 0 H GLU A 409 9.084 -4.907 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 409 11.636 -4.059 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.622 -5.831 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.836 -4.733 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.813 -3.203 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.601 -4.369 -5.764 1.00 0.00 H new ATOM 434 N VAL A 410 11.518 -1.671 -4.720 1.00 0.00 N ATOM 435 CA VAL A 410 11.477 -0.257 -5.045 1.00 0.00 C ATOM 436 C VAL A 410 12.887 0.239 -5.331 1.00 0.00 C ATOM 437 O VAL A 410 13.831 -0.134 -4.630 1.00 0.00 O ATOM 438 CB VAL A 410 10.838 0.575 -3.907 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.378 0.197 -3.725 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.594 0.392 -2.599 1.00 0.00 C ATOM 0 H VAL A 410 12.185 -1.915 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 410 10.855 -0.130 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 410 10.898 1.626 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.946 0.792 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.835 0.388 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.305 -0.861 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.121 0.989 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.576 -0.659 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.627 0.715 -2.727 1.00 0.00 H new ATOM 450 N LYS A 411 13.063 0.903 -6.464 1.00 0.00 N ATOM 451 CA LYS A 411 14.393 1.254 -6.921 1.00 0.00 C ATOM 452 C LYS A 411 14.369 2.515 -7.766 1.00 0.00 C ATOM 453 O LYS A 411 14.938 2.580 -8.855 1.00 0.00 O ATOM 454 CB LYS A 411 14.954 0.087 -7.710 1.00 0.00 C ATOM 455 CG LYS A 411 16.442 0.180 -8.005 1.00 0.00 C ATOM 456 CD LYS A 411 16.883 -0.906 -8.970 1.00 0.00 C ATOM 457 CE LYS A 411 18.367 -0.815 -9.275 1.00 0.00 C ATOM 458 NZ LYS A 411 18.793 -1.840 -10.263 1.00 0.00 N ATOM 0 H LYS A 411 12.306 1.206 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 411 15.030 1.459 -6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 411 14.763 -0.833 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 411 14.414 0.010 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 411 16.671 1.159 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 411 17.005 0.094 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 411 16.658 -1.884 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 411 16.315 -0.823 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 411 18.598 0.178 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 411 18.935 -0.940 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 19.813 -1.745 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 18.596 -2.789 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 18.269 -1.705 -11.151 1.00 0.00 H new ATOM 472 N ALA A 412 13.700 3.507 -7.238 1.00 0.00 N ATOM 473 CA ALA A 412 13.568 4.801 -7.879 1.00 0.00 C ATOM 474 C ALA A 412 12.925 5.765 -6.903 1.00 0.00 C ATOM 475 O ALA A 412 12.001 6.502 -7.257 1.00 0.00 O ATOM 476 CB ALA A 412 12.720 4.668 -9.127 1.00 0.00 C ATOM 0 H ALA A 412 13.223 3.444 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 412 14.549 5.179 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 412 12.623 5.642 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 412 13.195 3.970 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 412 11.732 4.296 -8.857 1.00 0.00 H new ATOM 482 N GLY A 413 13.298 5.615 -5.634 1.00 0.00 N ATOM 483 CA GLY A 413 12.621 6.325 -4.571 1.00 0.00 C ATOM 484 C GLY A 413 11.149 5.978 -4.540 1.00 0.00 C ATOM 485 O GLY A 413 10.303 6.845 -4.315 1.00 0.00 O ATOM 0 H GLY A 413 14.060 5.011 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.078 6.075 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.742 7.399 -4.711 1.00 0.00 H new ATOM 489 N GLU A 414 10.841 4.726 -4.870 1.00 0.00 N ATOM 490 CA GLU A 414 9.458 4.287 -4.985 1.00 0.00 C ATOM 491 C GLU A 414 8.843 4.061 -3.613 1.00 0.00 C ATOM 492 O GLU A 414 9.542 4.076 -2.597 1.00 0.00 O ATOM 493 CB GLU A 414 9.375 3.012 -5.820 1.00 0.00 C ATOM 494 CG GLU A 414 10.030 3.136 -7.182 1.00 0.00 C ATOM 495 CD GLU A 414 9.941 1.861 -7.987 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.825 1.486 -8.394 1.00 0.00 O ATOM 497 OE2 GLU A 414 10.991 1.221 -8.209 1.00 0.00 O ATOM 0 H GLU A 414 11.532 4.000 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 414 8.892 5.073 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.847 2.197 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.327 2.742 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.556 3.946 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 414 11.078 3.408 -7.054 1.00 0.00 H new ATOM 504 N LYS A 415 7.544 3.819 -3.593 1.00 0.00 N ATOM 505 CA LYS A 415 6.838 3.556 -2.351 1.00 0.00 C ATOM 506 C LYS A 415 6.416 2.106 -2.292 1.00 0.00 C ATOM 507 O LYS A 415 5.884 1.572 -3.266 1.00 0.00 O ATOM 508 CB LYS A 415 5.613 4.465 -2.221 1.00 0.00 C ATOM 509 CG LYS A 415 5.881 5.735 -1.434 1.00 0.00 C ATOM 510 CD LYS A 415 6.183 5.422 0.022 1.00 0.00 C ATOM 511 CE LYS A 415 6.441 6.681 0.828 1.00 0.00 C ATOM 512 NZ LYS A 415 7.675 7.386 0.391 1.00 0.00 N ATOM 0 H LYS A 415 6.955 3.799 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 415 7.512 3.766 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.262 4.732 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.809 3.910 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.721 6.270 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.015 6.394 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.346 4.877 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.054 4.769 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.588 7.353 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 415 6.527 6.423 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.895 8.150 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.467 6.713 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 7.527 7.789 -0.556 1.00 0.00 H new ATOM 526 N ASN A 416 6.686 1.462 -1.170 1.00 0.00 N ATOM 527 CA ASN A 416 6.336 0.065 -1.007 1.00 0.00 C ATOM 528 C ASN A 416 4.828 -0.081 -0.845 1.00 0.00 C ATOM 529 O ASN A 416 4.152 -0.613 -1.711 1.00 0.00 O ATOM 530 CB ASN A 416 7.063 -0.556 0.188 1.00 0.00 C ATOM 531 CG ASN A 416 8.565 -0.652 -0.013 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.274 0.357 -0.028 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.060 -1.870 -0.179 1.00 0.00 N ATOM 0 H ASN A 416 7.145 1.883 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 416 6.652 -0.470 -1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.859 0.038 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.662 -1.553 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.061 -1.998 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.440 -2.680 -0.160 1.00 0.00 H new ATOM 540 N CYS A 417 4.264 0.535 0.168 1.00 0.00 N ATOM 541 CA CYS A 417 2.819 0.558 0.268 1.00 0.00 C ATOM 542 C CYS A 417 2.276 1.727 -0.541 1.00 0.00 C ATOM 543 O CYS A 417 2.746 2.858 -0.401 1.00 0.00 O ATOM 544 CB CYS A 417 2.361 0.651 1.717 1.00 0.00 C ATOM 545 SG CYS A 417 0.603 0.235 1.941 1.00 0.00 S ATOM 0 H CYS A 417 4.764 1.015 0.916 1.00 0.00 H new ATOM 0 HA CYS A 417 2.429 -0.376 -0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 417 2.967 -0.019 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.538 1.662 2.083 1.00 0.00 H new ATOM 550 N GLN A 418 1.370 1.436 -1.464 1.00 0.00 N ATOM 551 CA GLN A 418 0.864 2.452 -2.372 1.00 0.00 C ATOM 552 C GLN A 418 -0.532 2.103 -2.874 1.00 0.00 C ATOM 553 O GLN A 418 -0.963 0.949 -2.795 1.00 0.00 O ATOM 554 CB GLN A 418 1.838 2.668 -3.542 1.00 0.00 C ATOM 555 CG GLN A 418 2.471 1.394 -4.094 1.00 0.00 C ATOM 556 CD GLN A 418 1.524 0.566 -4.939 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.985 1.039 -5.940 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.316 -0.681 -4.546 1.00 0.00 N ATOM 0 H GLN A 418 0.972 0.507 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 418 0.786 3.388 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.307 3.172 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.632 3.339 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.342 1.660 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.830 0.786 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.781 -1.037 -3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.691 -1.286 -5.078 1.00 0.00 H new ATOM 567 N PHE A 419 -1.265 3.135 -3.273 1.00 0.00 N ATOM 568 CA PHE A 419 -2.644 2.996 -3.718 1.00 0.00 C ATOM 569 C PHE A 419 -2.712 2.153 -4.986 1.00 0.00 C ATOM 570 O PHE A 419 -2.165 2.538 -6.021 1.00 0.00 O ATOM 571 CB PHE A 419 -3.219 4.395 -3.979 1.00 0.00 C ATOM 572 CG PHE A 419 -4.674 4.423 -4.341 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.618 3.887 -3.489 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.094 4.989 -5.534 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.961 3.910 -3.820 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.434 5.016 -5.869 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.368 4.476 -5.012 1.00 0.00 C ATOM 0 H PHE A 419 -0.918 4.094 -3.297 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.229 2.494 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.070 5.005 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.650 4.861 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.305 3.445 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.366 5.414 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.691 3.486 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.749 5.460 -6.802 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.416 4.495 -5.272 1.00 0.00 H new ATOM 587 N ASN A 420 -3.370 0.998 -4.908 1.00 0.00 N ATOM 588 CA ASN A 420 -3.492 0.118 -6.070 1.00 0.00 C ATOM 589 C ASN A 420 -4.618 0.589 -6.985 1.00 0.00 C ATOM 590 O ASN A 420 -4.687 0.198 -8.152 1.00 0.00 O ATOM 591 CB ASN A 420 -3.706 -1.349 -5.652 1.00 0.00 C ATOM 592 CG ASN A 420 -5.036 -1.612 -4.956 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.106 -1.321 -5.485 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.976 -2.217 -3.783 1.00 0.00 N ATOM 0 H ASN A 420 -3.823 0.652 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.553 0.168 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.641 -1.981 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.895 -1.648 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.835 -2.457 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.071 -2.444 -3.372 1.00 0.00 H new ATOM 601 N SER A 421 -5.499 1.416 -6.426 1.00 0.00 N ATOM 602 CA SER A 421 -6.647 1.990 -7.134 1.00 0.00 C ATOM 603 C SER A 421 -7.742 0.963 -7.391 1.00 0.00 C ATOM 604 O SER A 421 -8.875 1.138 -6.938 1.00 0.00 O ATOM 605 CB SER A 421 -6.215 2.654 -8.448 1.00 0.00 C ATOM 606 OG SER A 421 -7.293 3.346 -9.052 1.00 0.00 O ATOM 0 H SER A 421 -5.436 1.713 -5.452 1.00 0.00 H new ATOM 0 HA SER A 421 -7.065 2.755 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.396 3.348 -8.256 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.836 1.896 -9.134 1.00 0.00 H new ATOM 0 HG SER A 421 -6.989 3.761 -9.886 1.00 0.00 H new ATOM 612 N THR A 422 -7.411 -0.125 -8.055 1.00 0.00 N ATOM 613 CA THR A 422 -8.385 -1.164 -8.298 1.00 0.00 C ATOM 614 C THR A 422 -7.786 -2.528 -7.986 1.00 0.00 C ATOM 615 O THR A 422 -6.833 -2.963 -8.642 1.00 0.00 O ATOM 616 CB THR A 422 -8.891 -1.134 -9.753 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.223 0.211 -10.130 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.117 -2.016 -9.911 1.00 0.00 C ATOM 0 H THR A 422 -6.482 -0.311 -8.433 1.00 0.00 H new ATOM 0 HA THR A 422 -9.236 -0.983 -7.641 1.00 0.00 H new ATOM 0 HB THR A 422 -8.097 -1.510 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.542 0.222 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.459 -1.981 -10.945 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.863 -3.043 -9.647 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.910 -1.658 -9.254 1.00 0.00 H new ATOM 626 N LYS A 423 -8.330 -3.158 -6.951 1.00 0.00 N ATOM 627 CA LYS A 423 -7.855 -4.448 -6.462 1.00 0.00 C ATOM 628 C LYS A 423 -8.633 -4.814 -5.206 1.00 0.00 C ATOM 629 O LYS A 423 -8.930 -5.986 -4.965 1.00 0.00 O ATOM 630 CB LYS A 423 -6.353 -4.406 -6.161 1.00 0.00 C ATOM 631 CG LYS A 423 -5.730 -5.767 -5.905 1.00 0.00 C ATOM 632 CD LYS A 423 -4.218 -5.661 -5.807 1.00 0.00 C ATOM 633 CE LYS A 423 -3.564 -7.021 -5.628 1.00 0.00 C ATOM 634 NZ LYS A 423 -2.080 -6.920 -5.601 1.00 0.00 N ATOM 0 H LYS A 423 -9.119 -2.785 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.016 -5.202 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.839 -3.936 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.186 -3.773 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.130 -6.187 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.999 -6.452 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -3.828 -5.187 -6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.953 -5.018 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.915 -7.474 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.869 -7.681 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.670 -7.868 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.744 -6.511 -6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.788 -6.311 -4.811 1.00 0.00 H new ATOM 648 N ALA A 424 -9.020 -3.785 -4.444 1.00 0.00 N ATOM 649 CA ALA A 424 -9.840 -3.978 -3.247 1.00 0.00 C ATOM 650 C ALA A 424 -11.138 -4.706 -3.596 1.00 0.00 C ATOM 651 O ALA A 424 -11.714 -4.483 -4.663 1.00 0.00 O ATOM 652 CB ALA A 424 -10.137 -2.640 -2.583 1.00 0.00 C ATOM 0 H ALA A 424 -8.778 -2.813 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 424 -9.281 -4.595 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -10.748 -2.802 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.201 -2.160 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.675 -1.999 -3.281 1.00 0.00 H new