USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=18 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 421 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 383 LYS NZ :NH3+ -167:sc= -0.0272 (180deg=-0.264) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.103 F(o=-1.5!,f=-0.1) USER MOD Single : A 391 LYS NZ :NH3+ 168:sc= -0.0206 (180deg=-0.198) USER MOD Single : A 393 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 LYS NZ :NH3+ -162:sc= -0.107 (180deg=-0.515) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.234) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-4.9!) USER MOD Single : A 408 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.638) USER MOD Single : A 411 LYS NZ :NH3+ -165:sc= -0.0344 (180deg=-0.259) USER MOD Single : A 415 LYS NZ :NH3+ 170:sc=-0.00213 (180deg=-0.0995) USER MOD Single : A 416 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.5) USER MOD Single : A 418 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.023) USER MOD Single : A 420 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.62) USER MOD Single : A 423 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0181) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ -133:sc= 0.681 (180deg=-0.265) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -11.258 10.683 -5.303 1.00 0.00 N ATOM 2 CA GLY A 382 -10.653 9.954 -4.166 1.00 0.00 C ATOM 3 C GLY A 382 -10.130 10.896 -3.104 1.00 0.00 C ATOM 4 O GLY A 382 -9.511 11.914 -3.418 1.00 0.00 O ATOM 0 HA2 GLY A 382 -11.395 9.288 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -9.838 9.328 -4.529 1.00 0.00 H new ATOM 10 N LYS A 383 -10.366 10.553 -1.845 1.00 0.00 N ATOM 11 CA LYS A 383 -9.910 11.359 -0.717 1.00 0.00 C ATOM 12 C LYS A 383 -8.437 11.080 -0.416 1.00 0.00 C ATOM 13 O LYS A 383 -8.079 10.731 0.710 1.00 0.00 O ATOM 14 CB LYS A 383 -10.770 11.066 0.517 1.00 0.00 C ATOM 15 CG LYS A 383 -12.258 11.237 0.268 1.00 0.00 C ATOM 16 CD LYS A 383 -13.074 10.899 1.503 1.00 0.00 C ATOM 17 CE LYS A 383 -14.563 11.046 1.240 1.00 0.00 C ATOM 18 NZ LYS A 383 -14.921 12.426 0.816 1.00 0.00 N ATOM 0 H LYS A 383 -10.877 9.712 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 383 -10.012 12.412 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -10.580 10.046 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.466 11.728 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -12.461 12.265 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -12.565 10.596 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.857 9.878 1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.782 11.553 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -14.866 10.339 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -15.118 10.789 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -15.953 12.546 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -14.466 13.113 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -14.595 12.585 -0.159 1.00 0.00 H new ATOM 32 N SER A 384 -7.608 11.167 -1.455 1.00 0.00 N ATOM 33 CA SER A 384 -6.183 10.858 -1.353 1.00 0.00 C ATOM 34 C SER A 384 -5.952 9.451 -0.781 1.00 0.00 C ATOM 35 O SER A 384 -5.271 9.285 0.235 1.00 0.00 O ATOM 36 CB SER A 384 -5.470 11.916 -0.506 1.00 0.00 C ATOM 37 OG SER A 384 -5.635 13.210 -1.070 1.00 0.00 O ATOM 0 H SER A 384 -7.904 11.453 -2.388 1.00 0.00 H new ATOM 0 HA SER A 384 -5.761 10.874 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.867 11.904 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 384 -4.409 11.678 -0.436 1.00 0.00 H new ATOM 0 HG SER A 384 -5.173 13.871 -0.513 1.00 0.00 H new ATOM 43 N PRO A 385 -6.506 8.406 -1.432 1.00 0.00 N ATOM 44 CA PRO A 385 -6.343 7.022 -0.975 1.00 0.00 C ATOM 45 C PRO A 385 -4.890 6.562 -1.053 1.00 0.00 C ATOM 46 O PRO A 385 -4.433 5.762 -0.236 1.00 0.00 O ATOM 47 CB PRO A 385 -7.211 6.214 -1.940 1.00 0.00 C ATOM 48 CG PRO A 385 -7.343 7.068 -3.151 1.00 0.00 C ATOM 49 CD PRO A 385 -7.324 8.485 -2.658 1.00 0.00 C ATOM 0 HA PRO A 385 -6.630 6.902 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.747 5.258 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -8.186 5.995 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.525 6.886 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.270 6.852 -3.683 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.885 9.161 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.329 8.852 -2.448 1.00 0.00 H new ATOM 57 N GLU A 386 -4.162 7.102 -2.022 1.00 0.00 N ATOM 58 CA GLU A 386 -2.754 6.785 -2.188 1.00 0.00 C ATOM 59 C GLU A 386 -1.969 7.252 -0.965 1.00 0.00 C ATOM 60 O GLU A 386 -1.156 6.507 -0.419 1.00 0.00 O ATOM 61 CB GLU A 386 -2.209 7.446 -3.452 1.00 0.00 C ATOM 62 CG GLU A 386 -0.776 7.063 -3.777 1.00 0.00 C ATOM 63 CD GLU A 386 -0.318 7.624 -5.105 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.143 8.234 -5.816 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.871 7.457 -5.445 1.00 0.00 O ATOM 0 H GLU A 386 -4.528 7.764 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.643 5.705 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.847 7.178 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.269 8.528 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.118 7.424 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.688 5.977 -3.794 1.00 0.00 H new ATOM 72 N ALA A 387 -2.284 8.462 -0.501 1.00 0.00 N ATOM 73 CA ALA A 387 -1.662 9.020 0.695 1.00 0.00 C ATOM 74 C ALA A 387 -1.933 8.144 1.913 1.00 0.00 C ATOM 75 O ALA A 387 -1.056 7.964 2.758 1.00 0.00 O ATOM 76 CB ALA A 387 -2.160 10.434 0.941 1.00 0.00 C ATOM 0 H ALA A 387 -2.971 9.075 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.585 9.050 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.686 10.836 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.910 11.062 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.241 10.420 1.077 1.00 0.00 H new ATOM 82 N GLU A 388 -3.129 7.554 1.959 1.00 0.00 N ATOM 83 CA GLU A 388 -3.489 6.637 3.036 1.00 0.00 C ATOM 84 C GLU A 388 -2.504 5.479 3.103 1.00 0.00 C ATOM 85 O GLU A 388 -1.889 5.241 4.138 1.00 0.00 O ATOM 86 CB GLU A 388 -4.905 6.082 2.838 1.00 0.00 C ATOM 87 CG GLU A 388 -6.014 7.093 3.073 1.00 0.00 C ATOM 88 CD GLU A 388 -7.390 6.453 3.048 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.597 5.451 3.769 1.00 0.00 O ATOM 90 OE2 GLU A 388 -8.279 6.960 2.329 1.00 0.00 O ATOM 0 H GLU A 388 -3.861 7.696 1.264 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.456 7.198 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.992 5.695 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.049 5.239 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.860 7.581 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.963 7.870 2.310 1.00 0.00 H new ATOM 97 N CYS A 389 -2.325 4.796 1.979 1.00 0.00 N ATOM 98 CA CYS A 389 -1.398 3.674 1.890 1.00 0.00 C ATOM 99 C CYS A 389 0.046 4.123 2.110 1.00 0.00 C ATOM 100 O CYS A 389 0.840 3.401 2.703 1.00 0.00 O ATOM 101 CB CYS A 389 -1.535 3.008 0.524 1.00 0.00 C ATOM 102 SG CYS A 389 -3.226 2.457 0.142 1.00 0.00 S ATOM 0 H CYS A 389 -2.815 5.002 1.108 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.648 2.961 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.208 3.708 -0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.865 2.150 0.480 1.00 0.00 H new ATOM 107 N ASN A 390 0.380 5.310 1.613 1.00 0.00 N ATOM 108 CA ASN A 390 1.736 5.847 1.730 1.00 0.00 C ATOM 109 C ASN A 390 2.189 5.925 3.184 1.00 0.00 C ATOM 110 O ASN A 390 3.377 5.799 3.475 1.00 0.00 O ATOM 111 CB ASN A 390 1.831 7.234 1.091 1.00 0.00 C ATOM 112 CG ASN A 390 1.939 7.197 -0.424 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.089 6.012 -0.998 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 1.912 8.241 -1.075 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.272 5.923 1.123 1.00 0.00 H new ATOM 0 HA ASN A 390 2.396 5.160 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 390 0.952 7.815 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.699 7.754 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.795 9.136 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.007 8.212 -2.090 1.00 0.00 H new ATOM 121 N LYS A 391 1.245 6.156 4.090 1.00 0.00 N ATOM 122 CA LYS A 391 1.548 6.241 5.516 1.00 0.00 C ATOM 123 C LYS A 391 2.138 4.926 6.023 1.00 0.00 C ATOM 124 O LYS A 391 3.046 4.918 6.856 1.00 0.00 O ATOM 125 CB LYS A 391 0.284 6.580 6.311 1.00 0.00 C ATOM 126 CG LYS A 391 -0.372 7.889 5.900 1.00 0.00 C ATOM 127 CD LYS A 391 0.546 9.076 6.134 1.00 0.00 C ATOM 128 CE LYS A 391 -0.113 10.381 5.712 1.00 0.00 C ATOM 129 NZ LYS A 391 -1.351 10.660 6.489 1.00 0.00 N ATOM 0 H LYS A 391 0.260 6.288 3.862 1.00 0.00 H new ATOM 0 HA LYS A 391 2.283 7.033 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.436 5.771 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.535 6.628 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.646 7.843 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -1.295 8.026 6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 391 0.815 9.127 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 391 1.472 8.937 5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 391 0.591 11.202 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.354 10.338 4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -1.654 11.640 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.104 10.008 6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -1.162 10.527 7.503 1.00 0.00 H new ATOM 143 N ILE A 392 1.608 3.823 5.511 1.00 0.00 N ATOM 144 CA ILE A 392 2.058 2.493 5.890 1.00 0.00 C ATOM 145 C ILE A 392 3.506 2.262 5.451 1.00 0.00 C ATOM 146 O ILE A 392 3.851 2.440 4.281 1.00 0.00 O ATOM 147 CB ILE A 392 1.167 1.388 5.262 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.275 1.436 5.792 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.766 0.014 5.527 1.00 0.00 C ATOM 150 CD1 ILE A 392 -1.078 2.643 5.371 1.00 0.00 C ATOM 0 H ILE A 392 0.855 3.826 4.823 1.00 0.00 H new ATOM 0 HA ILE A 392 1.987 2.434 6.976 1.00 0.00 H new ATOM 0 HB ILE A 392 1.133 1.573 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.797 0.539 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.246 1.402 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.131 -0.752 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.762 -0.040 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.834 -0.152 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -2.079 2.581 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.588 3.549 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -1.148 2.672 4.284 1.00 0.00 H new ATOM 162 N THR A 393 4.332 1.797 6.375 1.00 0.00 N ATOM 163 CA THR A 393 5.713 1.472 6.063 1.00 0.00 C ATOM 164 C THR A 393 6.041 0.046 6.505 1.00 0.00 C ATOM 165 O THR A 393 7.171 -0.260 6.883 1.00 0.00 O ATOM 166 CB THR A 393 6.677 2.472 6.732 1.00 0.00 C ATOM 167 OG1 THR A 393 6.286 2.692 8.097 1.00 0.00 O ATOM 168 CG2 THR A 393 6.681 3.795 5.984 1.00 0.00 C ATOM 0 H THR A 393 4.069 1.636 7.347 1.00 0.00 H new ATOM 0 HA THR A 393 5.841 1.542 4.983 1.00 0.00 H new ATOM 0 HB THR A 393 7.682 2.051 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 393 6.904 3.327 8.516 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.368 4.487 6.472 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.002 3.630 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.676 4.218 5.987 1.00 0.00 H new ATOM 176 N GLU A 394 5.041 -0.830 6.414 1.00 0.00 N ATOM 177 CA GLU A 394 5.199 -2.238 6.771 1.00 0.00 C ATOM 178 C GLU A 394 4.474 -3.122 5.764 1.00 0.00 C ATOM 179 O GLU A 394 3.300 -2.894 5.469 1.00 0.00 O ATOM 180 CB GLU A 394 4.640 -2.508 8.170 1.00 0.00 C ATOM 181 CG GLU A 394 5.369 -1.769 9.277 1.00 0.00 C ATOM 182 CD GLU A 394 6.799 -2.241 9.466 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.162 -3.309 8.927 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.556 -1.562 10.191 1.00 0.00 O ATOM 0 H GLU A 394 4.104 -0.585 6.093 1.00 0.00 H new ATOM 0 HA GLU A 394 6.264 -2.470 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.587 -2.226 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.687 -3.579 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.371 -0.702 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.824 -1.897 10.212 1.00 0.00 H new ATOM 191 N GLU A 395 5.158 -4.149 5.274 1.00 0.00 N ATOM 192 CA GLU A 395 4.571 -5.084 4.321 1.00 0.00 C ATOM 193 C GLU A 395 3.391 -5.849 4.927 1.00 0.00 C ATOM 194 O GLU A 395 2.328 -5.917 4.311 1.00 0.00 O ATOM 195 CB GLU A 395 5.630 -6.062 3.794 1.00 0.00 C ATOM 196 CG GLU A 395 5.069 -7.116 2.850 1.00 0.00 C ATOM 197 CD GLU A 395 6.147 -7.873 2.100 1.00 0.00 C ATOM 198 OE1 GLU A 395 7.336 -7.518 2.227 1.00 0.00 O ATOM 199 OE2 GLU A 395 5.805 -8.816 1.352 1.00 0.00 O ATOM 0 H GLU A 395 6.125 -4.356 5.523 1.00 0.00 H new ATOM 0 HA GLU A 395 4.190 -4.497 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.407 -5.499 3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 395 6.106 -6.559 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.466 -7.823 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 395 4.404 -6.636 2.132 1.00 0.00 H new ATOM 206 N PRO A 396 3.540 -6.441 6.133 1.00 0.00 N ATOM 207 CA PRO A 396 2.463 -7.212 6.759 1.00 0.00 C ATOM 208 C PRO A 396 1.185 -6.394 6.934 1.00 0.00 C ATOM 209 O PRO A 396 0.089 -6.881 6.662 1.00 0.00 O ATOM 210 CB PRO A 396 3.033 -7.618 8.124 1.00 0.00 C ATOM 211 CG PRO A 396 4.229 -6.757 8.331 1.00 0.00 C ATOM 212 CD PRO A 396 4.756 -6.446 6.966 1.00 0.00 C ATOM 0 HA PRO A 396 2.175 -8.063 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.299 -7.467 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 396 3.303 -8.674 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.965 -5.844 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.980 -7.271 8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 396 5.266 -5.483 6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.472 -7.196 6.630 1.00 0.00 H new ATOM 220 N LYS A 397 1.334 -5.135 7.320 1.00 0.00 N ATOM 221 CA LYS A 397 0.202 -4.253 7.486 1.00 0.00 C ATOM 222 C LYS A 397 -0.377 -3.850 6.131 1.00 0.00 C ATOM 223 O LYS A 397 -1.592 -3.886 5.928 1.00 0.00 O ATOM 224 CB LYS A 397 0.642 -3.023 8.278 1.00 0.00 C ATOM 225 CG LYS A 397 -0.126 -1.773 7.925 1.00 0.00 C ATOM 226 CD LYS A 397 0.152 -0.631 8.888 1.00 0.00 C ATOM 227 CE LYS A 397 -0.484 -0.871 10.248 1.00 0.00 C ATOM 228 NZ LYS A 397 -1.960 -1.028 10.154 1.00 0.00 N ATOM 0 H LYS A 397 2.236 -4.705 7.524 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.584 -4.773 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 397 0.523 -3.225 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 397 1.704 -2.849 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.135 -1.463 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -1.193 -1.993 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 397 1.229 -0.510 9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -0.229 0.300 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -0.052 -1.765 10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -0.250 -0.037 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -2.385 -0.885 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -2.342 -0.325 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -2.186 -1.984 9.814 1.00 0.00 H new ATOM 242 N CYS A 398 0.499 -3.449 5.219 1.00 0.00 N ATOM 243 CA CYS A 398 0.079 -2.995 3.894 1.00 0.00 C ATOM 244 C CYS A 398 -0.626 -4.111 3.129 1.00 0.00 C ATOM 245 O CYS A 398 -1.590 -3.867 2.404 1.00 0.00 O ATOM 246 CB CYS A 398 1.283 -2.494 3.096 1.00 0.00 C ATOM 247 SG CYS A 398 0.855 -1.652 1.536 1.00 0.00 S ATOM 0 H CYS A 398 1.507 -3.428 5.370 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.625 -2.174 4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.857 -1.808 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.932 -3.340 2.872 1.00 0.00 H new ATOM 252 N SER A 399 -0.138 -5.334 3.293 1.00 0.00 N ATOM 253 CA SER A 399 -0.721 -6.484 2.623 1.00 0.00 C ATOM 254 C SER A 399 -2.138 -6.745 3.143 1.00 0.00 C ATOM 255 O SER A 399 -3.042 -7.057 2.369 1.00 0.00 O ATOM 256 CB SER A 399 0.162 -7.720 2.819 1.00 0.00 C ATOM 257 OG SER A 399 -0.241 -8.780 1.967 1.00 0.00 O ATOM 0 H SER A 399 0.662 -5.553 3.886 1.00 0.00 H new ATOM 0 HA SER A 399 -0.782 -6.270 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 399 1.202 -7.463 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.111 -8.046 3.858 1.00 0.00 H new ATOM 0 HG SER A 399 0.341 -9.555 2.112 1.00 0.00 H new ATOM 263 N GLU A 400 -2.339 -6.550 4.445 1.00 0.00 N ATOM 264 CA GLU A 400 -3.663 -6.710 5.042 1.00 0.00 C ATOM 265 C GLU A 400 -4.606 -5.615 4.563 1.00 0.00 C ATOM 266 O GLU A 400 -5.796 -5.862 4.352 1.00 0.00 O ATOM 267 CB GLU A 400 -3.579 -6.716 6.569 1.00 0.00 C ATOM 268 CG GLU A 400 -2.794 -7.893 7.120 1.00 0.00 C ATOM 269 CD GLU A 400 -3.238 -9.213 6.527 1.00 0.00 C ATOM 270 OE1 GLU A 400 -4.408 -9.597 6.723 1.00 0.00 O ATOM 271 OE2 GLU A 400 -2.418 -9.870 5.852 1.00 0.00 O ATOM 0 H GLU A 400 -1.607 -6.283 5.103 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.062 -7.672 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.115 -5.789 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.588 -6.735 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -1.733 -7.745 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.909 -7.928 8.203 1.00 0.00 H new ATOM 278 N GLU A 401 -4.045 -4.444 4.280 1.00 0.00 N ATOM 279 CA GLU A 401 -4.807 -3.360 3.681 1.00 0.00 C ATOM 280 C GLU A 401 -5.331 -3.797 2.315 1.00 0.00 C ATOM 281 O GLU A 401 -4.616 -4.446 1.549 1.00 0.00 O ATOM 282 CB GLU A 401 -3.939 -2.109 3.533 1.00 0.00 C ATOM 283 CG GLU A 401 -3.471 -1.503 4.850 1.00 0.00 C ATOM 284 CD GLU A 401 -4.606 -0.948 5.687 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.474 -1.735 6.117 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.628 0.276 5.931 1.00 0.00 O ATOM 0 H GLU A 401 -3.065 -4.224 4.457 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.648 -3.120 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.065 -2.358 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.501 -1.356 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.942 -2.263 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.757 -0.706 4.643 1.00 0.00 H new ATOM 293 N LYS A 402 -6.607 -3.560 2.070 1.00 0.00 N ATOM 294 CA LYS A 402 -7.245 -4.043 0.859 1.00 0.00 C ATOM 295 C LYS A 402 -6.820 -3.225 -0.357 1.00 0.00 C ATOM 296 O LYS A 402 -6.334 -3.770 -1.346 1.00 0.00 O ATOM 297 CB LYS A 402 -8.762 -3.998 1.025 1.00 0.00 C ATOM 298 CG LYS A 402 -9.515 -4.791 -0.027 1.00 0.00 C ATOM 299 CD LYS A 402 -11.017 -4.568 0.061 1.00 0.00 C ATOM 300 CE LYS A 402 -11.605 -5.105 1.356 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.495 -6.583 1.444 1.00 0.00 N ATOM 0 H LYS A 402 -7.222 -3.036 2.693 1.00 0.00 H new ATOM 0 HA LYS A 402 -6.929 -5.073 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.022 -4.382 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.092 -2.960 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.163 -4.505 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.298 -5.852 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.229 -3.502 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -11.504 -5.053 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.091 -4.652 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.653 -4.814 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.428 -6.988 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.157 -6.961 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -10.823 -6.837 2.196 1.00 0.00 H new ATOM 315 N ILE A 403 -7.057 -1.923 -0.299 1.00 0.00 N ATOM 316 CA ILE A 403 -6.782 -1.048 -1.430 1.00 0.00 C ATOM 317 C ILE A 403 -5.339 -0.522 -1.391 1.00 0.00 C ATOM 318 O ILE A 403 -4.929 0.301 -2.217 1.00 0.00 O ATOM 319 CB ILE A 403 -7.820 0.111 -1.471 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.437 0.240 -2.870 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.242 1.444 -1.002 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.438 0.310 -3.999 1.00 0.00 C ATOM 0 H ILE A 403 -7.439 -1.449 0.519 1.00 0.00 H new ATOM 0 HA ILE A 403 -6.881 -1.624 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.607 -0.149 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -9.097 -0.610 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.058 1.136 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.013 2.213 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -6.893 1.348 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.407 1.724 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -7.967 0.400 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.792 1.177 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.832 -0.596 -4.006 1.00 0.00 H new ATOM 334 N CYS A 404 -4.522 -1.145 -0.564 1.00 0.00 N ATOM 335 CA CYS A 404 -3.103 -0.850 -0.547 1.00 0.00 C ATOM 336 C CYS A 404 -2.320 -2.066 -1.014 1.00 0.00 C ATOM 337 O CYS A 404 -2.769 -3.200 -0.851 1.00 0.00 O ATOM 338 CB CYS A 404 -2.653 -0.426 0.849 1.00 0.00 C ATOM 339 SG CYS A 404 -3.569 1.004 1.515 1.00 0.00 S ATOM 0 H CYS A 404 -4.816 -1.858 0.104 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.910 -0.021 -1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.769 -1.269 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.591 -0.184 0.820 1.00 0.00 H new ATOM 344 N SER A 405 -1.207 -1.824 -1.679 1.00 0.00 N ATOM 345 CA SER A 405 -0.403 -2.896 -2.236 1.00 0.00 C ATOM 346 C SER A 405 1.072 -2.638 -1.947 1.00 0.00 C ATOM 347 O SER A 405 1.515 -1.486 -1.950 1.00 0.00 O ATOM 348 CB SER A 405 -0.663 -2.997 -3.746 1.00 0.00 C ATOM 349 OG SER A 405 0.190 -3.942 -4.367 1.00 0.00 O ATOM 0 H SER A 405 -0.837 -0.889 -1.848 1.00 0.00 H new ATOM 0 HA SER A 405 -0.678 -3.844 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.702 -3.278 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.517 -2.019 -4.206 1.00 0.00 H new ATOM 0 HG SER A 405 -0.006 -3.979 -5.326 1.00 0.00 H new ATOM 355 N TRP A 406 1.794 -3.684 -1.560 1.00 0.00 N ATOM 356 CA TRP A 406 3.187 -3.528 -1.180 1.00 0.00 C ATOM 357 C TRP A 406 4.103 -3.605 -2.397 1.00 0.00 C ATOM 358 O TRP A 406 4.043 -4.543 -3.193 1.00 0.00 O ATOM 359 CB TRP A 406 3.612 -4.575 -0.151 1.00 0.00 C ATOM 360 CG TRP A 406 4.944 -4.262 0.462 1.00 0.00 C ATOM 361 CD1 TRP A 406 6.121 -4.917 0.248 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.235 -3.210 1.390 1.00 0.00 C ATOM 363 NE1 TRP A 406 7.124 -4.336 0.978 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.608 -3.289 1.692 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.474 -2.207 1.996 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.227 -2.407 2.570 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.094 -1.336 2.870 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.458 -1.438 3.148 1.00 0.00 C ATOM 0 H TRP A 406 1.439 -4.639 -1.502 1.00 0.00 H new ATOM 0 HA TRP A 406 3.281 -2.541 -0.728 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.859 -4.636 0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.655 -5.554 -0.628 1.00 0.00 H new ATOM 0 HD1 TRP A 406 6.244 -5.770 -0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 406 8.099 -4.636 0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.419 -2.115 1.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.282 -2.486 2.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.512 -0.561 3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.913 -0.738 3.833 1.00 0.00 H new ATOM 379 N HIS A 407 4.943 -2.602 -2.520 1.00 0.00 N ATOM 380 CA HIS A 407 5.892 -2.481 -3.613 1.00 0.00 C ATOM 381 C HIS A 407 7.196 -3.193 -3.261 1.00 0.00 C ATOM 382 O HIS A 407 8.193 -2.536 -2.961 1.00 0.00 O ATOM 383 CB HIS A 407 6.167 -0.998 -3.842 1.00 0.00 C ATOM 384 CG HIS A 407 6.462 -0.611 -5.247 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.521 -1.109 -5.961 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.859 0.295 -6.049 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.565 -0.518 -7.136 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.567 0.334 -7.218 1.00 0.00 N ATOM 0 H HIS A 407 4.990 -1.832 -1.853 1.00 0.00 H new ATOM 0 HA HIS A 407 5.480 -2.938 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.302 -0.429 -3.501 1.00 0.00 H new ATOM 0 HB3 HIS A 407 7.010 -0.702 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.982 0.879 -5.811 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.300 -0.702 -7.906 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.356 0.926 -8.021 1.00 0.00 H new ATOM 397 N LYS A 408 7.156 -4.521 -3.200 1.00 0.00 N ATOM 398 CA LYS A 408 8.320 -5.309 -2.788 1.00 0.00 C ATOM 399 C LYS A 408 9.555 -4.941 -3.605 1.00 0.00 C ATOM 400 O LYS A 408 10.612 -4.642 -3.052 1.00 0.00 O ATOM 401 CB LYS A 408 8.033 -6.805 -2.933 1.00 0.00 C ATOM 402 CG LYS A 408 6.871 -7.293 -2.083 1.00 0.00 C ATOM 403 CD LYS A 408 6.668 -8.797 -2.207 1.00 0.00 C ATOM 404 CE LYS A 408 7.822 -9.575 -1.593 1.00 0.00 C ATOM 405 NZ LYS A 408 7.987 -9.270 -0.149 1.00 0.00 N ATOM 0 H LYS A 408 6.332 -5.076 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 408 8.519 -5.081 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.823 -7.025 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.928 -7.365 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.052 -7.036 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.959 -6.778 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 408 5.737 -9.080 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 408 6.568 -9.065 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 408 7.649 -10.643 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 408 8.744 -9.336 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 8.557 -10.015 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 8.467 -8.354 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 7.053 -9.227 0.306 1.00 0.00 H new ATOM 419 N GLU A 409 9.392 -4.874 -4.916 1.00 0.00 N ATOM 420 CA GLU A 409 10.471 -4.472 -5.800 1.00 0.00 C ATOM 421 C GLU A 409 10.401 -2.971 -6.067 1.00 0.00 C ATOM 422 O GLU A 409 10.140 -2.533 -7.188 1.00 0.00 O ATOM 423 CB GLU A 409 10.399 -5.250 -7.115 1.00 0.00 C ATOM 424 CG GLU A 409 11.606 -5.047 -8.015 1.00 0.00 C ATOM 425 CD GLU A 409 11.417 -5.676 -9.376 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.243 -6.912 -9.446 1.00 0.00 O ATOM 427 OE2 GLU A 409 11.435 -4.937 -10.382 1.00 0.00 O ATOM 0 H GLU A 409 8.517 -5.094 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 409 11.421 -4.697 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.298 -6.312 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.501 -4.950 -7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.793 -3.980 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.488 -5.475 -7.539 1.00 0.00 H new ATOM 434 N VAL A 410 10.545 -2.183 -5.016 1.00 0.00 N ATOM 435 CA VAL A 410 10.479 -0.736 -5.147 1.00 0.00 C ATOM 436 C VAL A 410 11.642 -0.205 -5.961 1.00 0.00 C ATOM 437 O VAL A 410 12.779 -0.664 -5.843 1.00 0.00 O ATOM 438 CB VAL A 410 10.395 -0.023 -3.783 1.00 0.00 C ATOM 439 CG1 VAL A 410 11.184 -0.774 -2.727 1.00 0.00 C ATOM 440 CG2 VAL A 410 10.868 1.422 -3.864 1.00 0.00 C ATOM 0 H VAL A 410 10.708 -2.517 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 410 9.555 -0.514 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 410 9.344 -0.013 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 410 11.108 -0.250 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 410 10.781 -1.781 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 410 12.230 -0.832 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.791 1.886 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.905 1.447 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 410 10.246 1.969 -4.572 1.00 0.00 H new ATOM 450 N LYS A 411 11.327 0.752 -6.805 1.00 0.00 N ATOM 451 CA LYS A 411 12.316 1.365 -7.670 1.00 0.00 C ATOM 452 C LYS A 411 13.049 2.465 -6.920 1.00 0.00 C ATOM 453 O LYS A 411 12.595 3.608 -6.880 1.00 0.00 O ATOM 454 CB LYS A 411 11.651 1.929 -8.925 1.00 0.00 C ATOM 455 CG LYS A 411 12.634 2.434 -9.970 1.00 0.00 C ATOM 456 CD LYS A 411 13.536 1.321 -10.485 1.00 0.00 C ATOM 457 CE LYS A 411 14.464 1.817 -11.581 1.00 0.00 C ATOM 458 NZ LYS A 411 13.715 2.265 -12.782 1.00 0.00 N ATOM 0 H LYS A 411 10.385 1.127 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 411 13.036 0.605 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.026 1.156 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.990 2.746 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.085 2.871 -10.804 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.245 3.227 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.126 0.920 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 411 12.925 0.504 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 411 15.066 2.642 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.154 1.021 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.369 2.353 -13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.977 1.569 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.274 3.187 -12.592 1.00 0.00 H new ATOM 472 N ALA A 412 14.189 2.108 -6.348 1.00 0.00 N ATOM 473 CA ALA A 412 15.026 3.044 -5.616 1.00 0.00 C ATOM 474 C ALA A 412 14.215 3.851 -4.588 1.00 0.00 C ATOM 475 O ALA A 412 13.596 3.269 -3.695 1.00 0.00 O ATOM 476 CB ALA A 412 15.770 3.921 -6.603 1.00 0.00 C ATOM 0 H ALA A 412 14.560 1.158 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 412 15.762 2.492 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.400 4.626 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.392 3.298 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.053 4.470 -7.214 1.00 0.00 H new ATOM 482 N GLY A 413 14.251 5.179 -4.679 1.00 0.00 N ATOM 483 CA GLY A 413 13.580 6.015 -3.697 1.00 0.00 C ATOM 484 C GLY A 413 12.100 6.235 -3.971 1.00 0.00 C ATOM 485 O GLY A 413 11.585 7.335 -3.756 1.00 0.00 O ATOM 0 H GLY A 413 14.734 5.692 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.692 5.561 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 413 14.079 6.983 -3.660 1.00 0.00 H new ATOM 489 N GLU A 414 11.393 5.181 -4.355 1.00 0.00 N ATOM 490 CA GLU A 414 9.947 5.264 -4.534 1.00 0.00 C ATOM 491 C GLU A 414 9.229 5.015 -3.211 1.00 0.00 C ATOM 492 O GLU A 414 9.773 5.287 -2.139 1.00 0.00 O ATOM 493 CB GLU A 414 9.467 4.270 -5.594 1.00 0.00 C ATOM 494 CG GLU A 414 9.686 4.743 -7.019 1.00 0.00 C ATOM 495 CD GLU A 414 8.831 5.943 -7.375 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.991 7.010 -6.747 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.000 5.826 -8.294 1.00 0.00 O ATOM 0 H GLU A 414 11.793 4.263 -4.548 1.00 0.00 H new ATOM 0 HA GLU A 414 9.708 6.270 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.986 3.322 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.405 4.077 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.737 4.998 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.464 3.927 -7.707 1.00 0.00 H new ATOM 504 N LYS A 415 8.053 4.409 -3.282 1.00 0.00 N ATOM 505 CA LYS A 415 7.302 4.071 -2.083 1.00 0.00 C ATOM 506 C LYS A 415 6.800 2.647 -2.168 1.00 0.00 C ATOM 507 O LYS A 415 6.477 2.159 -3.252 1.00 0.00 O ATOM 508 CB LYS A 415 6.132 5.031 -1.878 1.00 0.00 C ATOM 509 CG LYS A 415 6.547 6.385 -1.329 1.00 0.00 C ATOM 510 CD LYS A 415 7.212 6.252 0.032 1.00 0.00 C ATOM 511 CE LYS A 415 7.611 7.608 0.596 1.00 0.00 C ATOM 512 NZ LYS A 415 6.431 8.451 0.916 1.00 0.00 N ATOM 0 H LYS A 415 7.599 4.142 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 415 7.970 4.164 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 415 5.620 5.175 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.414 4.576 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 415 7.233 6.867 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.672 7.030 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.531 5.756 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.095 5.619 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.208 7.464 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.242 8.128 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 6.738 9.289 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 5.970 8.752 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 5.758 7.903 1.489 1.00 0.00 H new ATOM 526 N ASN A 416 6.860 1.949 -1.049 1.00 0.00 N ATOM 527 CA ASN A 416 6.495 0.550 -1.014 1.00 0.00 C ATOM 528 C ASN A 416 4.985 0.384 -0.878 1.00 0.00 C ATOM 529 O ASN A 416 4.332 -0.158 -1.762 1.00 0.00 O ATOM 530 CB ASN A 416 7.214 -0.165 0.130 1.00 0.00 C ATOM 531 CG ASN A 416 8.712 -0.269 -0.083 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.408 0.740 -0.195 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.210 -1.496 -0.145 1.00 0.00 N ATOM 0 H ASN A 416 7.159 2.331 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 416 6.805 0.097 -1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.021 0.367 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.799 -1.166 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.210 -1.634 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.593 -2.302 -0.047 1.00 0.00 H new ATOM 540 N CYS A 417 4.403 0.920 0.176 1.00 0.00 N ATOM 541 CA CYS A 417 2.959 0.851 0.307 1.00 0.00 C ATOM 542 C CYS A 417 2.321 1.992 -0.461 1.00 0.00 C ATOM 543 O CYS A 417 2.603 3.165 -0.208 1.00 0.00 O ATOM 544 CB CYS A 417 2.525 0.881 1.771 1.00 0.00 C ATOM 545 SG CYS A 417 0.809 0.316 2.036 1.00 0.00 S ATOM 0 H CYS A 417 4.890 1.396 0.936 1.00 0.00 H new ATOM 0 HA CYS A 417 2.624 -0.098 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.199 0.254 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.627 1.898 2.151 1.00 0.00 H new ATOM 550 N GLN A 418 1.517 1.641 -1.450 1.00 0.00 N ATOM 551 CA GLN A 418 0.895 2.630 -2.309 1.00 0.00 C ATOM 552 C GLN A 418 -0.429 2.123 -2.862 1.00 0.00 C ATOM 553 O GLN A 418 -0.826 0.979 -2.608 1.00 0.00 O ATOM 554 CB GLN A 418 1.847 3.065 -3.437 1.00 0.00 C ATOM 555 CG GLN A 418 2.789 1.979 -3.939 1.00 0.00 C ATOM 556 CD GLN A 418 2.102 0.933 -4.788 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.521 1.239 -5.826 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.168 -0.307 -4.350 1.00 0.00 N ATOM 0 H GLN A 418 1.280 0.675 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 418 0.682 3.511 -1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.251 3.425 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.443 3.907 -3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.587 2.441 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.258 1.492 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.661 -0.516 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.726 -1.059 -4.879 1.00 0.00 H new ATOM 567 N PHE A 419 -1.182 3.051 -3.443 1.00 0.00 N ATOM 568 CA PHE A 419 -2.548 2.799 -3.883 1.00 0.00 C ATOM 569 C PHE A 419 -2.615 1.637 -4.869 1.00 0.00 C ATOM 570 O PHE A 419 -1.984 1.661 -5.925 1.00 0.00 O ATOM 571 CB PHE A 419 -3.112 4.071 -4.525 1.00 0.00 C ATOM 572 CG PHE A 419 -4.587 4.023 -4.793 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.471 3.627 -3.802 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.089 4.379 -6.032 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.829 3.587 -4.047 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.446 4.341 -6.282 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.317 3.945 -5.287 1.00 0.00 C ATOM 0 H PHE A 419 -0.860 4.002 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.146 2.524 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.900 4.918 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.589 4.253 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.094 3.347 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.411 4.690 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.509 3.276 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.825 4.620 -7.254 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.379 3.915 -5.479 1.00 0.00 H new ATOM 587 N ASN A 420 -3.405 0.636 -4.511 1.00 0.00 N ATOM 588 CA ASN A 420 -3.600 -0.548 -5.338 1.00 0.00 C ATOM 589 C ASN A 420 -4.350 -0.182 -6.615 1.00 0.00 C ATOM 590 O ASN A 420 -4.016 -0.651 -7.702 1.00 0.00 O ATOM 591 CB ASN A 420 -4.420 -1.577 -4.556 1.00 0.00 C ATOM 592 CG ASN A 420 -4.180 -3.011 -4.977 1.00 0.00 C ATOM 593 OD1 ASN A 420 -4.032 -3.322 -6.157 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.202 -3.903 -4.000 1.00 0.00 N ATOM 0 H ASN A 420 -3.931 0.621 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.627 -0.962 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.190 -1.478 -3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -5.479 -1.348 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.093 -4.895 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.327 -3.599 -3.035 1.00 0.00 H new ATOM 601 N SER A 421 -5.404 0.615 -6.435 1.00 0.00 N ATOM 602 CA SER A 421 -6.322 1.001 -7.507 1.00 0.00 C ATOM 603 C SER A 421 -7.199 -0.183 -7.912 1.00 0.00 C ATOM 604 O SER A 421 -6.707 -1.188 -8.422 1.00 0.00 O ATOM 605 CB SER A 421 -5.571 1.563 -8.723 1.00 0.00 C ATOM 606 OG SER A 421 -6.475 2.066 -9.696 1.00 0.00 O ATOM 0 H SER A 421 -5.647 1.016 -5.529 1.00 0.00 H new ATOM 0 HA SER A 421 -6.963 1.795 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 421 -4.898 2.358 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.954 0.781 -9.166 1.00 0.00 H new ATOM 0 HG SER A 421 -5.971 2.419 -10.459 1.00 0.00 H new ATOM 612 N THR A 422 -8.500 -0.047 -7.667 1.00 0.00 N ATOM 613 CA THR A 422 -9.476 -1.083 -7.996 1.00 0.00 C ATOM 614 C THR A 422 -9.178 -2.389 -7.257 1.00 0.00 C ATOM 615 O THR A 422 -8.527 -3.295 -7.783 1.00 0.00 O ATOM 616 CB THR A 422 -9.537 -1.327 -9.515 1.00 0.00 C ATOM 617 OG1 THR A 422 -9.673 -0.069 -10.193 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.711 -2.224 -9.877 1.00 0.00 C ATOM 0 H THR A 422 -8.907 0.783 -7.236 1.00 0.00 H new ATOM 0 HA THR A 422 -10.451 -0.724 -7.666 1.00 0.00 H new ATOM 0 HB THR A 422 -8.616 -1.823 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.710 -0.221 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.731 -2.380 -10.956 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.604 -3.185 -9.373 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.641 -1.751 -9.562 1.00 0.00 H new ATOM 626 N LYS A 423 -9.662 -2.471 -6.026 1.00 0.00 N ATOM 627 CA LYS A 423 -9.467 -3.649 -5.193 1.00 0.00 C ATOM 628 C LYS A 423 -10.500 -3.650 -4.069 1.00 0.00 C ATOM 629 O LYS A 423 -11.217 -4.628 -3.873 1.00 0.00 O ATOM 630 CB LYS A 423 -8.043 -3.653 -4.617 1.00 0.00 C ATOM 631 CG LYS A 423 -7.480 -5.037 -4.309 1.00 0.00 C ATOM 632 CD LYS A 423 -8.179 -5.696 -3.134 1.00 0.00 C ATOM 633 CE LYS A 423 -7.447 -6.948 -2.672 1.00 0.00 C ATOM 634 NZ LYS A 423 -7.380 -7.984 -3.735 1.00 0.00 N ATOM 0 H LYS A 423 -10.198 -1.727 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.597 -4.549 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -7.379 -3.155 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -8.035 -3.061 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -7.579 -5.671 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -6.415 -4.954 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -8.247 -4.988 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -9.200 -5.955 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -6.436 -6.682 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -7.951 -7.359 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -6.964 -8.854 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -8.338 -8.184 -4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -6.790 -7.639 -4.519 1.00 0.00 H new ATOM 648 N ALA A 424 -10.652 -2.500 -3.421 1.00 0.00 N ATOM 649 CA ALA A 424 -11.676 -2.317 -2.399 1.00 0.00 C ATOM 650 C ALA A 424 -12.982 -1.855 -3.035 1.00 0.00 C ATOM 651 O ALA A 424 -13.466 -0.755 -2.762 1.00 0.00 O ATOM 652 CB ALA A 424 -11.212 -1.317 -1.352 1.00 0.00 C ATOM 0 H ALA A 424 -10.075 -1.676 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 424 -11.849 -3.274 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -11.989 -1.193 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -10.301 -1.683 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -11.013 -0.357 -1.829 1.00 0.00 H new ATOM 658 N SER A 425 -13.470 -2.637 -3.981 1.00 0.00 N ATOM 659 CA SER A 425 -14.644 -2.269 -4.746 1.00 0.00 C ATOM 660 C SER A 425 -15.920 -2.426 -3.921 1.00 0.00 C ATOM 661 O SER A 425 -16.752 -1.521 -3.888 1.00 0.00 O ATOM 662 CB SER A 425 -14.710 -3.104 -6.023 1.00 0.00 C ATOM 663 OG SER A 425 -13.525 -2.932 -6.790 1.00 0.00 O ATOM 0 H SER A 425 -13.066 -3.538 -4.238 1.00 0.00 H new ATOM 0 HA SER A 425 -14.565 -1.216 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 425 -14.838 -4.157 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 425 -15.578 -2.810 -6.613 1.00 0.00 H new ATOM 0 HG SER A 425 -13.581 -3.474 -7.604 1.00 0.00 H new ATOM 669 N LYS A 426 -16.064 -3.565 -3.245 1.00 0.00 N ATOM 670 CA LYS A 426 -17.247 -3.821 -2.425 1.00 0.00 C ATOM 671 C LYS A 426 -16.908 -4.657 -1.190 1.00 0.00 C ATOM 672 O LYS A 426 -17.287 -4.306 -0.070 1.00 0.00 O ATOM 673 CB LYS A 426 -18.331 -4.536 -3.246 1.00 0.00 C ATOM 674 CG LYS A 426 -18.988 -3.662 -4.306 1.00 0.00 C ATOM 675 CD LYS A 426 -19.723 -2.486 -3.681 1.00 0.00 C ATOM 676 CE LYS A 426 -20.244 -1.522 -4.736 1.00 0.00 C ATOM 677 NZ LYS A 426 -19.147 -0.880 -5.509 1.00 0.00 N ATOM 0 H LYS A 426 -15.380 -4.322 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 426 -17.623 -2.853 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -17.889 -5.406 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -19.100 -4.906 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -18.229 -3.293 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -19.687 -4.260 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -20.556 -2.854 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -19.053 -1.957 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -20.902 -2.058 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -20.845 -0.751 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -19.319 0.144 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -18.239 -1.051 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -19.115 -1.284 -6.467 1.00 0.00 H new ATOM 691 N SER A 427 -16.239 -5.781 -1.392 1.00 0.00 N ATOM 692 CA SER A 427 -15.930 -6.685 -0.292 1.00 0.00 C ATOM 693 C SER A 427 -14.433 -6.972 -0.214 1.00 0.00 C ATOM 694 O SER A 427 -13.729 -6.757 -1.222 1.00 0.00 O ATOM 695 CB SER A 427 -16.718 -7.991 -0.447 1.00 0.00 C ATOM 696 OG SER A 427 -16.550 -8.544 -1.743 1.00 0.00 O ATOM 697 OXT SER A 427 -13.963 -7.406 0.863 1.00 0.00 O ATOM 0 H SER A 427 -15.900 -6.090 -2.303 1.00 0.00 H new ATOM 0 HA SER A 427 -16.225 -6.200 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 427 -16.387 -8.709 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 427 -17.776 -7.804 -0.264 1.00 0.00 H new ATOM 0 HG SER A 427 -17.062 -9.377 -1.812 1.00 0.00 H new TER 703 SER A 427