USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=14 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= 0.00587 USER MOD Set 1.2: A 422 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 405 SER OG : rot 73:sc= -1! USER MOD Set 2.2: A 418 GLN :FLIP amide:sc= 0.18 F(o=-1.9,f=-0.82) USER MOD Single : A 383 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 :FLIP amide:sc= -1.16 F(o=-2.2!,f=-1.2) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 84:sc= 0.00278 USER MOD Single : A 402 LYS NZ :NH3+ -131:sc= 2.32 (180deg=0.609) USER MOD Single : A 407 HIS : no HE2:sc= -0.469 K(o=-0.47,f=-3.5!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 170:sc=-0.00274 (180deg=-0.093) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 420 ASN : amide:sc= -1.97! C(o=-2!,f=-8.2!) USER MOD Single : A 423 LYS NZ :NH3+ 167:sc= -0.0313 (180deg=-0.206) USER MOD Single : A 425 SER OG : rot 103:sc= 1.31 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= -0.0646 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -8.868 11.623 2.304 1.00 0.00 N ATOM 2 CA GLY A 382 -7.784 12.510 2.785 1.00 0.00 C ATOM 3 C GLY A 382 -7.104 13.230 1.644 1.00 0.00 C ATOM 4 O GLY A 382 -7.759 13.635 0.683 1.00 0.00 O ATOM 0 HA2 GLY A 382 -8.194 13.240 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -7.049 11.922 3.334 1.00 0.00 H new ATOM 10 N LYS A 383 -5.789 13.368 1.728 1.00 0.00 N ATOM 11 CA LYS A 383 -5.024 14.023 0.677 1.00 0.00 C ATOM 12 C LYS A 383 -4.949 13.142 -0.567 1.00 0.00 C ATOM 13 O LYS A 383 -5.180 13.604 -1.686 1.00 0.00 O ATOM 14 CB LYS A 383 -3.612 14.355 1.165 1.00 0.00 C ATOM 15 CG LYS A 383 -3.576 15.340 2.325 1.00 0.00 C ATOM 16 CD LYS A 383 -2.151 15.703 2.709 1.00 0.00 C ATOM 17 CE LYS A 383 -1.457 16.485 1.608 1.00 0.00 C ATOM 18 NZ LYS A 383 -0.053 16.817 1.962 1.00 0.00 N ATOM 0 H LYS A 383 -5.229 13.035 2.513 1.00 0.00 H new ATOM 0 HA LYS A 383 -5.535 14.951 0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -3.117 13.433 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -3.038 14.766 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -4.121 16.244 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -4.086 14.908 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -2.160 16.293 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -1.588 14.794 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -1.471 15.903 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -2.009 17.404 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 0.384 17.351 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -0.040 17.394 2.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 0.481 15.939 2.123 1.00 0.00 H new ATOM 32 N SER A 384 -4.657 11.868 -0.364 1.00 0.00 N ATOM 33 CA SER A 384 -4.549 10.922 -1.464 1.00 0.00 C ATOM 34 C SER A 384 -4.571 9.492 -0.937 1.00 0.00 C ATOM 35 O SER A 384 -3.889 9.174 0.041 1.00 0.00 O ATOM 36 CB SER A 384 -3.257 11.175 -2.255 1.00 0.00 C ATOM 37 OG SER A 384 -3.029 10.160 -3.220 1.00 0.00 O ATOM 0 H SER A 384 -4.490 11.463 0.557 1.00 0.00 H new ATOM 0 HA SER A 384 -5.401 11.062 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.317 12.143 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 384 -2.412 11.221 -1.568 1.00 0.00 H new ATOM 0 HG SER A 384 -2.200 10.352 -3.707 1.00 0.00 H new ATOM 43 N PRO A 385 -5.337 8.602 -1.588 1.00 0.00 N ATOM 44 CA PRO A 385 -5.405 7.191 -1.206 1.00 0.00 C ATOM 45 C PRO A 385 -4.057 6.505 -1.386 1.00 0.00 C ATOM 46 O PRO A 385 -3.657 5.659 -0.588 1.00 0.00 O ATOM 47 CB PRO A 385 -6.447 6.594 -2.161 1.00 0.00 C ATOM 48 CG PRO A 385 -7.146 7.758 -2.777 1.00 0.00 C ATOM 49 CD PRO A 385 -6.162 8.889 -2.770 1.00 0.00 C ATOM 0 HA PRO A 385 -5.669 7.060 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -5.971 5.976 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.149 5.955 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -7.466 7.527 -3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.041 8.018 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -5.566 8.911 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -6.659 9.856 -2.690 1.00 0.00 H new ATOM 57 N GLU A 386 -3.326 6.917 -2.411 1.00 0.00 N ATOM 58 CA GLU A 386 -1.989 6.402 -2.629 1.00 0.00 C ATOM 59 C GLU A 386 -1.079 6.874 -1.507 1.00 0.00 C ATOM 60 O GLU A 386 -0.383 6.077 -0.882 1.00 0.00 O ATOM 61 CB GLU A 386 -1.441 6.863 -3.978 1.00 0.00 C ATOM 62 CG GLU A 386 -0.220 6.080 -4.433 1.00 0.00 C ATOM 63 CD GLU A 386 0.384 6.630 -5.706 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.361 6.823 -6.692 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.609 6.864 -5.732 1.00 0.00 O ATOM 0 H GLU A 386 -3.637 7.603 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.028 5.313 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.224 6.771 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.183 7.920 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.531 6.095 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.499 5.038 -4.589 1.00 0.00 H new ATOM 72 N ALA A 387 -1.158 8.168 -1.214 1.00 0.00 N ATOM 73 CA ALA A 387 -0.360 8.780 -0.158 1.00 0.00 C ATOM 74 C ALA A 387 -0.643 8.162 1.207 1.00 0.00 C ATOM 75 O ALA A 387 0.264 8.039 2.032 1.00 0.00 O ATOM 76 CB ALA A 387 -0.603 10.279 -0.111 1.00 0.00 C ATOM 0 H ALA A 387 -1.774 8.819 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 387 0.687 8.590 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.000 10.721 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -0.326 10.723 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -1.658 10.471 0.086 1.00 0.00 H new ATOM 82 N GLU A 388 -1.905 7.836 1.475 1.00 0.00 N ATOM 83 CA GLU A 388 -2.277 7.292 2.775 1.00 0.00 C ATOM 84 C GLU A 388 -1.685 5.897 2.967 1.00 0.00 C ATOM 85 O GLU A 388 -1.045 5.633 3.981 1.00 0.00 O ATOM 86 CB GLU A 388 -3.801 7.296 2.967 1.00 0.00 C ATOM 87 CG GLU A 388 -4.572 6.305 2.120 1.00 0.00 C ATOM 88 CD GLU A 388 -6.069 6.431 2.320 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.624 7.515 2.044 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.698 5.453 2.771 1.00 0.00 O ATOM 0 H GLU A 388 -2.678 7.938 0.817 1.00 0.00 H new ATOM 0 HA GLU A 388 -1.857 7.938 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.017 7.095 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -4.173 8.297 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.332 6.463 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.257 5.292 2.370 1.00 0.00 H new ATOM 97 N CYS A 389 -1.771 5.064 1.933 1.00 0.00 N ATOM 98 CA CYS A 389 -1.125 3.755 1.945 1.00 0.00 C ATOM 99 C CYS A 389 0.393 3.912 2.046 1.00 0.00 C ATOM 100 O CYS A 389 1.063 3.115 2.695 1.00 0.00 O ATOM 101 CB CYS A 389 -1.473 2.971 0.676 1.00 0.00 C ATOM 102 SG CYS A 389 -3.248 2.598 0.457 1.00 0.00 S ATOM 0 H CYS A 389 -2.282 5.273 1.075 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.489 3.206 2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.127 3.538 -0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.919 2.032 0.684 1.00 0.00 H new ATOM 107 N ASN A 390 0.924 4.960 1.414 1.00 0.00 N ATOM 108 CA ASN A 390 2.366 5.243 1.426 1.00 0.00 C ATOM 109 C ASN A 390 2.908 5.360 2.851 1.00 0.00 C ATOM 110 O ASN A 390 4.085 5.098 3.100 1.00 0.00 O ATOM 111 CB ASN A 390 2.677 6.535 0.662 1.00 0.00 C ATOM 112 CG ASN A 390 2.571 6.400 -0.850 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.412 5.182 -1.346 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.646 7.392 -1.573 1.00 0.00 N flip ATOM 0 H ASN A 390 0.374 5.634 0.882 1.00 0.00 H new ATOM 0 HA ASN A 390 2.856 4.403 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.994 7.316 0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.685 6.863 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.768 8.316 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.586 7.290 -2.586 1.00 0.00 H new ATOM 121 N LYS A 391 2.053 5.785 3.773 1.00 0.00 N ATOM 122 CA LYS A 391 2.435 5.941 5.173 1.00 0.00 C ATOM 123 C LYS A 391 2.762 4.587 5.799 1.00 0.00 C ATOM 124 O LYS A 391 3.655 4.481 6.639 1.00 0.00 O ATOM 125 CB LYS A 391 1.311 6.626 5.952 1.00 0.00 C ATOM 126 CG LYS A 391 0.951 7.995 5.401 1.00 0.00 C ATOM 127 CD LYS A 391 -0.270 8.579 6.089 1.00 0.00 C ATOM 128 CE LYS A 391 -0.659 9.914 5.476 1.00 0.00 C ATOM 129 NZ LYS A 391 -1.889 10.474 6.089 1.00 0.00 N ATOM 0 H LYS A 391 1.083 6.030 3.575 1.00 0.00 H new ATOM 0 HA LYS A 391 3.328 6.564 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.426 5.990 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 391 1.610 6.728 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 391 1.797 8.671 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 391 0.762 7.917 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -1.104 7.882 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -0.065 8.710 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 391 0.161 10.621 5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.814 9.789 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.117 11.384 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.679 9.812 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -1.734 10.619 7.107 1.00 0.00 H new ATOM 143 N ILE A 392 2.051 3.560 5.359 1.00 0.00 N ATOM 144 CA ILE A 392 2.283 2.202 5.816 1.00 0.00 C ATOM 145 C ILE A 392 3.640 1.709 5.314 1.00 0.00 C ATOM 146 O ILE A 392 3.978 1.885 4.142 1.00 0.00 O ATOM 147 CB ILE A 392 1.168 1.238 5.322 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.206 1.591 5.921 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.521 -0.200 5.670 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.807 2.893 5.446 1.00 0.00 C ATOM 0 H ILE A 392 1.298 3.646 4.676 1.00 0.00 H new ATOM 0 HA ILE A 392 2.271 2.210 6.906 1.00 0.00 H new ATOM 0 HB ILE A 392 1.102 1.349 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.902 0.784 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.111 1.629 7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.731 -0.864 5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.462 -0.470 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.623 -0.298 6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.773 3.045 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.140 3.716 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.943 2.858 4.365 1.00 0.00 H new ATOM 162 N THR A 393 4.442 1.155 6.208 1.00 0.00 N ATOM 163 CA THR A 393 5.784 0.720 5.857 1.00 0.00 C ATOM 164 C THR A 393 6.009 -0.751 6.198 1.00 0.00 C ATOM 165 O THR A 393 7.143 -1.184 6.410 1.00 0.00 O ATOM 166 CB THR A 393 6.841 1.579 6.577 1.00 0.00 C ATOM 167 OG1 THR A 393 6.451 1.787 7.943 1.00 0.00 O ATOM 168 CG2 THR A 393 7.015 2.923 5.884 1.00 0.00 C ATOM 0 H THR A 393 4.187 0.996 7.183 1.00 0.00 H new ATOM 0 HA THR A 393 5.888 0.843 4.779 1.00 0.00 H new ATOM 0 HB THR A 393 7.793 1.048 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.127 2.332 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.767 3.510 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.337 2.763 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.066 3.460 5.888 1.00 0.00 H new ATOM 176 N GLU A 394 4.934 -1.529 6.189 1.00 0.00 N ATOM 177 CA GLU A 394 5.015 -2.958 6.469 1.00 0.00 C ATOM 178 C GLU A 394 4.081 -3.734 5.551 1.00 0.00 C ATOM 179 O GLU A 394 2.956 -3.305 5.299 1.00 0.00 O ATOM 180 CB GLU A 394 4.665 -3.245 7.931 1.00 0.00 C ATOM 181 CG GLU A 394 5.664 -2.681 8.927 1.00 0.00 C ATOM 182 CD GLU A 394 5.337 -3.063 10.353 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.276 -4.273 10.647 1.00 0.00 O ATOM 184 OE2 GLU A 394 5.140 -2.156 11.188 1.00 0.00 O ATOM 0 H GLU A 394 3.992 -1.193 5.990 1.00 0.00 H new ATOM 0 HA GLU A 394 6.040 -3.281 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.680 -2.831 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.596 -4.324 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.663 -3.040 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.685 -1.595 8.841 1.00 0.00 H new ATOM 191 N GLU A 395 4.567 -4.854 5.028 1.00 0.00 N ATOM 192 CA GLU A 395 3.799 -5.682 4.109 1.00 0.00 C ATOM 193 C GLU A 395 2.514 -6.204 4.761 1.00 0.00 C ATOM 194 O GLU A 395 1.430 -5.982 4.226 1.00 0.00 O ATOM 195 CB GLU A 395 4.652 -6.847 3.599 1.00 0.00 C ATOM 196 CG GLU A 395 3.995 -7.647 2.488 1.00 0.00 C ATOM 197 CD GLU A 395 4.768 -8.899 2.144 1.00 0.00 C ATOM 198 OE1 GLU A 395 5.973 -8.799 1.830 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.170 -9.995 2.188 1.00 0.00 O ATOM 0 H GLU A 395 5.501 -5.212 5.229 1.00 0.00 H new ATOM 0 HA GLU A 395 3.511 -5.059 3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.604 -6.458 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.874 -7.514 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 395 2.984 -7.919 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.905 -7.023 1.599 1.00 0.00 H new ATOM 206 N PRO A 396 2.592 -6.880 5.935 1.00 0.00 N ATOM 207 CA PRO A 396 1.398 -7.396 6.615 1.00 0.00 C ATOM 208 C PRO A 396 0.376 -6.300 6.888 1.00 0.00 C ATOM 209 O PRO A 396 -0.817 -6.479 6.654 1.00 0.00 O ATOM 210 CB PRO A 396 1.941 -7.961 7.931 1.00 0.00 C ATOM 211 CG PRO A 396 3.371 -8.258 7.651 1.00 0.00 C ATOM 212 CD PRO A 396 3.822 -7.197 6.692 1.00 0.00 C ATOM 0 HA PRO A 396 0.874 -8.136 6.009 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.837 -7.242 8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.401 -8.859 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.963 -8.236 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.488 -9.252 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.211 -6.322 7.213 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.616 -7.557 6.038 1.00 0.00 H new ATOM 220 N LYS A 397 0.860 -5.151 7.342 1.00 0.00 N ATOM 221 CA LYS A 397 -0.011 -4.018 7.628 1.00 0.00 C ATOM 222 C LYS A 397 -0.644 -3.477 6.350 1.00 0.00 C ATOM 223 O LYS A 397 -1.824 -3.134 6.330 1.00 0.00 O ATOM 224 CB LYS A 397 0.762 -2.906 8.342 1.00 0.00 C ATOM 225 CG LYS A 397 1.357 -3.341 9.673 1.00 0.00 C ATOM 226 CD LYS A 397 1.743 -2.153 10.543 1.00 0.00 C ATOM 227 CE LYS A 397 0.515 -1.406 11.047 1.00 0.00 C ATOM 228 NZ LYS A 397 0.857 -0.375 12.059 1.00 0.00 N ATOM 0 H LYS A 397 1.850 -4.979 7.520 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.807 -4.369 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.563 -2.556 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.095 -2.060 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.637 -3.961 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.237 -3.958 9.492 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.333 -2.499 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 397 2.375 -1.473 9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 397 0.010 -0.932 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -0.188 -2.118 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -0.011 0.106 12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.315 -0.828 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.507 0.321 11.640 1.00 0.00 H new ATOM 242 N CYS A 398 0.149 -3.389 5.292 1.00 0.00 N ATOM 243 CA CYS A 398 -0.333 -2.880 4.012 1.00 0.00 C ATOM 244 C CYS A 398 -1.349 -3.837 3.402 1.00 0.00 C ATOM 245 O CYS A 398 -2.399 -3.421 2.916 1.00 0.00 O ATOM 246 CB CYS A 398 0.838 -2.681 3.048 1.00 0.00 C ATOM 247 SG CYS A 398 0.406 -1.786 1.525 1.00 0.00 S ATOM 0 H CYS A 398 1.131 -3.664 5.293 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.819 -1.920 4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.630 -2.137 3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.243 -3.657 2.780 1.00 0.00 H new ATOM 252 N SER A 399 -1.026 -5.122 3.450 1.00 0.00 N ATOM 253 CA SER A 399 -1.892 -6.163 2.926 1.00 0.00 C ATOM 254 C SER A 399 -3.197 -6.255 3.726 1.00 0.00 C ATOM 255 O SER A 399 -4.257 -6.533 3.163 1.00 0.00 O ATOM 256 CB SER A 399 -1.146 -7.499 2.943 1.00 0.00 C ATOM 257 OG SER A 399 -0.141 -7.534 1.941 1.00 0.00 O ATOM 0 H SER A 399 -0.156 -5.470 3.854 1.00 0.00 H new ATOM 0 HA SER A 399 -2.160 -5.915 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.693 -7.654 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.851 -8.315 2.785 1.00 0.00 H new ATOM 0 HG SER A 399 0.671 -7.101 2.277 1.00 0.00 H new ATOM 263 N GLU A 400 -3.116 -5.988 5.030 1.00 0.00 N ATOM 264 CA GLU A 400 -4.298 -5.990 5.890 1.00 0.00 C ATOM 265 C GLU A 400 -5.257 -4.876 5.469 1.00 0.00 C ATOM 266 O GLU A 400 -6.471 -5.076 5.419 1.00 0.00 O ATOM 267 CB GLU A 400 -3.894 -5.819 7.357 1.00 0.00 C ATOM 268 CG GLU A 400 -5.058 -5.875 8.342 1.00 0.00 C ATOM 269 CD GLU A 400 -5.799 -7.200 8.325 1.00 0.00 C ATOM 270 OE1 GLU A 400 -6.515 -7.483 7.340 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.679 -7.965 9.305 1.00 0.00 O ATOM 0 H GLU A 400 -2.245 -5.768 5.513 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.805 -6.949 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.176 -6.597 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.383 -4.863 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.682 -5.690 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.759 -5.072 8.111 1.00 0.00 H new ATOM 278 N GLU A 401 -4.694 -3.745 5.057 1.00 0.00 N ATOM 279 CA GLU A 401 -5.489 -2.663 4.499 1.00 0.00 C ATOM 280 C GLU A 401 -6.202 -3.153 3.245 1.00 0.00 C ATOM 281 O GLU A 401 -5.579 -3.717 2.343 1.00 0.00 O ATOM 282 CB GLU A 401 -4.600 -1.462 4.174 1.00 0.00 C ATOM 283 CG GLU A 401 -4.011 -0.792 5.405 1.00 0.00 C ATOM 284 CD GLU A 401 -5.061 -0.091 6.238 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.666 0.881 5.738 1.00 0.00 O ATOM 286 OE2 GLU A 401 -5.294 -0.505 7.392 1.00 0.00 O ATOM 0 H GLU A 401 -3.693 -3.556 5.100 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.231 -2.348 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.788 -1.787 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -5.183 -0.730 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.506 -1.540 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.255 -0.070 5.096 1.00 0.00 H new ATOM 293 N LYS A 402 -7.522 -3.065 3.256 1.00 0.00 N ATOM 294 CA LYS A 402 -8.338 -3.677 2.215 1.00 0.00 C ATOM 295 C LYS A 402 -8.363 -2.854 0.927 1.00 0.00 C ATOM 296 O LYS A 402 -9.347 -2.891 0.185 1.00 0.00 O ATOM 297 CB LYS A 402 -9.767 -3.880 2.729 1.00 0.00 C ATOM 298 CG LYS A 402 -9.857 -4.718 3.998 1.00 0.00 C ATOM 299 CD LYS A 402 -9.263 -6.104 3.799 1.00 0.00 C ATOM 300 CE LYS A 402 -9.414 -6.968 5.042 1.00 0.00 C ATOM 301 NZ LYS A 402 -8.728 -6.383 6.225 1.00 0.00 N ATOM 0 H LYS A 402 -8.054 -2.575 3.975 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.885 -4.639 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -10.216 -2.905 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.358 -4.358 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -9.333 -4.210 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.900 -4.809 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -9.753 -6.592 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.207 -6.014 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.473 -7.096 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.008 -7.960 4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -8.140 -7.110 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -8.126 -5.592 5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -9.438 -6.037 6.902 1.00 0.00 H new ATOM 315 N ILE A 403 -7.286 -2.122 0.657 1.00 0.00 N ATOM 316 CA ILE A 403 -7.201 -1.313 -0.547 1.00 0.00 C ATOM 317 C ILE A 403 -5.784 -0.751 -0.758 1.00 0.00 C ATOM 318 O ILE A 403 -5.532 0.006 -1.700 1.00 0.00 O ATOM 319 CB ILE A 403 -8.241 -0.183 -0.473 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.769 0.147 -1.872 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.676 1.055 0.217 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.971 1.067 -1.868 1.00 0.00 C ATOM 0 H ILE A 403 -6.463 -2.075 1.257 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.417 -1.946 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.077 -0.531 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.971 0.610 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.035 -0.781 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.439 1.833 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.373 0.799 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.812 1.419 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -10.288 1.256 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.786 0.598 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.705 2.010 -1.391 1.00 0.00 H new ATOM 334 N CYS A 404 -4.827 -1.264 0.008 1.00 0.00 N ATOM 335 CA CYS A 404 -3.425 -0.910 -0.192 1.00 0.00 C ATOM 336 C CYS A 404 -2.645 -2.133 -0.661 1.00 0.00 C ATOM 337 O CYS A 404 -2.879 -3.242 -0.185 1.00 0.00 O ATOM 338 CB CYS A 404 -2.804 -0.362 1.098 1.00 0.00 C ATOM 339 SG CYS A 404 -3.632 1.114 1.791 1.00 0.00 S ATOM 0 H CYS A 404 -4.994 -1.922 0.769 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.375 -0.131 -0.953 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -2.812 -1.151 1.850 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.760 -0.116 0.905 1.00 0.00 H new ATOM 344 N SER A 405 -1.752 -1.942 -1.619 1.00 0.00 N ATOM 345 CA SER A 405 -0.963 -3.041 -2.154 1.00 0.00 C ATOM 346 C SER A 405 0.515 -2.844 -1.846 1.00 0.00 C ATOM 347 O SER A 405 0.982 -1.711 -1.706 1.00 0.00 O ATOM 348 CB SER A 405 -1.174 -3.158 -3.662 1.00 0.00 C ATOM 349 OG SER A 405 -1.090 -1.889 -4.289 1.00 0.00 O ATOM 0 H SER A 405 -1.555 -1.035 -2.043 1.00 0.00 H new ATOM 0 HA SER A 405 -1.294 -3.964 -1.677 1.00 0.00 H new ATOM 0 HB2 SER A 405 -0.425 -3.827 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 405 -2.149 -3.602 -3.863 1.00 0.00 H new ATOM 0 HG SER A 405 -0.155 -1.595 -4.308 1.00 0.00 H new ATOM 355 N TRP A 406 1.241 -3.943 -1.745 1.00 0.00 N ATOM 356 CA TRP A 406 2.663 -3.894 -1.461 1.00 0.00 C ATOM 357 C TRP A 406 3.470 -3.745 -2.756 1.00 0.00 C ATOM 358 O TRP A 406 2.941 -3.899 -3.860 1.00 0.00 O ATOM 359 CB TRP A 406 3.093 -5.146 -0.691 1.00 0.00 C ATOM 360 CG TRP A 406 4.403 -4.989 0.018 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.509 -5.769 -0.130 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.741 -3.999 0.998 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.517 -5.322 0.685 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.070 -4.236 1.390 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.050 -2.934 1.577 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.722 -3.449 2.337 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.696 -2.154 2.519 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.018 -2.413 2.886 1.00 0.00 C ATOM 0 H TRP A 406 0.866 -4.885 -1.856 1.00 0.00 H new ATOM 0 HA TRP A 406 2.863 -3.022 -0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.322 -5.398 0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.162 -5.984 -1.385 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.582 -6.618 -0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.448 -5.732 0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.029 -2.723 1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.743 -3.649 2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.169 -1.331 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.495 -1.781 3.620 1.00 0.00 H new ATOM 379 N HIS A 407 4.719 -3.336 -2.601 1.00 0.00 N ATOM 380 CA HIS A 407 5.606 -3.037 -3.717 1.00 0.00 C ATOM 381 C HIS A 407 7.032 -3.346 -3.272 1.00 0.00 C ATOM 382 O HIS A 407 7.787 -2.438 -2.941 1.00 0.00 O ATOM 383 CB HIS A 407 5.460 -1.551 -4.091 1.00 0.00 C ATOM 384 CG HIS A 407 6.002 -1.140 -5.427 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.257 -1.469 -5.875 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.459 -0.353 -6.386 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.467 -0.907 -7.050 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.390 -0.226 -7.383 1.00 0.00 N ATOM 0 H HIS A 407 5.151 -3.200 -1.687 1.00 0.00 H new ATOM 0 HA HIS A 407 5.358 -3.636 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.401 -1.294 -4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.956 -0.956 -3.324 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.924 -2.057 -5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.475 0.092 -6.368 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.369 -0.991 -7.639 1.00 0.00 H new ATOM 397 N LYS A 408 7.287 -4.635 -3.033 1.00 0.00 N ATOM 398 CA LYS A 408 8.523 -5.104 -2.387 1.00 0.00 C ATOM 399 C LYS A 408 9.763 -4.388 -2.913 1.00 0.00 C ATOM 400 O LYS A 408 10.487 -3.744 -2.154 1.00 0.00 O ATOM 401 CB LYS A 408 8.694 -6.611 -2.601 1.00 0.00 C ATOM 402 CG LYS A 408 7.521 -7.440 -2.115 1.00 0.00 C ATOM 403 CD LYS A 408 7.791 -8.924 -2.263 1.00 0.00 C ATOM 404 CE LYS A 408 6.597 -9.748 -1.816 1.00 0.00 C ATOM 405 NZ LYS A 408 6.918 -11.195 -1.744 1.00 0.00 N ATOM 0 H LYS A 408 6.644 -5.387 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 408 8.426 -4.879 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.845 -6.802 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.597 -6.941 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.319 -7.208 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.627 -7.174 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 408 8.024 -9.152 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.666 -9.197 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.263 -9.401 -0.838 1.00 0.00 H new ATOM 0 HE3 LYS A 408 5.770 -9.594 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.076 -11.722 -1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.213 -11.532 -2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 7.690 -11.346 -1.064 1.00 0.00 H new ATOM 419 N GLU A 409 9.997 -4.493 -4.210 1.00 0.00 N ATOM 420 CA GLU A 409 11.123 -3.829 -4.834 1.00 0.00 C ATOM 421 C GLU A 409 10.740 -2.423 -5.247 1.00 0.00 C ATOM 422 O GLU A 409 9.825 -2.249 -6.043 1.00 0.00 O ATOM 423 CB GLU A 409 11.571 -4.611 -6.056 1.00 0.00 C ATOM 424 CG GLU A 409 12.463 -5.793 -5.732 1.00 0.00 C ATOM 425 CD GLU A 409 12.859 -6.560 -6.971 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.971 -7.161 -7.608 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.050 -6.527 -7.341 1.00 0.00 O ATOM 0 H GLU A 409 9.418 -5.035 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 409 11.941 -3.779 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.691 -4.968 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 409 12.103 -3.940 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 409 13.360 -5.441 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 409 11.945 -6.460 -5.043 1.00 0.00 H new ATOM 434 N VAL A 410 11.452 -1.427 -4.749 1.00 0.00 N ATOM 435 CA VAL A 410 11.151 -0.048 -5.105 1.00 0.00 C ATOM 436 C VAL A 410 12.390 0.705 -5.566 1.00 0.00 C ATOM 437 O VAL A 410 13.414 0.735 -4.877 1.00 0.00 O ATOM 438 CB VAL A 410 10.498 0.729 -3.938 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.069 0.273 -3.723 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.301 0.572 -2.655 1.00 0.00 C ATOM 0 H VAL A 410 12.234 -1.543 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 410 10.441 -0.107 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 410 10.490 1.785 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.629 0.832 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.491 0.449 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.058 -0.791 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.817 1.129 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.352 -0.483 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.309 0.957 -2.807 1.00 0.00 H new ATOM 450 N LYS A 411 12.248 1.406 -6.680 1.00 0.00 N ATOM 451 CA LYS A 411 13.279 2.308 -7.154 1.00 0.00 C ATOM 452 C LYS A 411 13.260 3.556 -6.279 1.00 0.00 C ATOM 453 O LYS A 411 12.203 3.915 -5.758 1.00 0.00 O ATOM 454 CB LYS A 411 13.017 2.686 -8.615 1.00 0.00 C ATOM 455 CG LYS A 411 14.210 3.311 -9.314 1.00 0.00 C ATOM 456 CD LYS A 411 15.273 2.272 -9.627 1.00 0.00 C ATOM 457 CE LYS A 411 16.494 2.893 -10.281 1.00 0.00 C ATOM 458 NZ LYS A 411 17.244 3.767 -9.340 1.00 0.00 N ATOM 0 H LYS A 411 11.421 1.365 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 411 14.254 1.825 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.715 1.793 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 411 12.180 3.383 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.883 3.790 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.636 4.091 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.570 1.768 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 411 14.855 1.512 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.151 2.104 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 411 16.184 3.476 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 18.154 4.035 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.688 4.624 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 17.415 3.254 -8.452 1.00 0.00 H new ATOM 472 N ALA A 412 14.420 4.161 -6.042 1.00 0.00 N ATOM 473 CA ALA A 412 14.511 5.334 -5.175 1.00 0.00 C ATOM 474 C ALA A 412 13.541 6.424 -5.630 1.00 0.00 C ATOM 475 O ALA A 412 13.722 7.036 -6.686 1.00 0.00 O ATOM 476 CB ALA A 412 15.938 5.863 -5.147 1.00 0.00 C ATOM 0 H ALA A 412 15.311 3.859 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 412 14.232 5.035 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.990 6.737 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.606 5.089 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.242 6.143 -6.156 1.00 0.00 H new ATOM 482 N GLY A 413 12.453 6.568 -4.889 1.00 0.00 N ATOM 483 CA GLY A 413 11.397 7.482 -5.276 1.00 0.00 C ATOM 484 C GLY A 413 10.030 6.843 -5.131 1.00 0.00 C ATOM 485 O GLY A 413 9.061 7.503 -4.756 1.00 0.00 O ATOM 0 H GLY A 413 12.281 6.064 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.447 8.380 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.546 7.795 -6.309 1.00 0.00 H new ATOM 489 N GLU A 414 9.964 5.545 -5.410 1.00 0.00 N ATOM 490 CA GLU A 414 8.724 4.782 -5.293 1.00 0.00 C ATOM 491 C GLU A 414 8.399 4.501 -3.826 1.00 0.00 C ATOM 492 O GLU A 414 9.188 4.827 -2.934 1.00 0.00 O ATOM 493 CB GLU A 414 8.851 3.464 -6.063 1.00 0.00 C ATOM 494 CG GLU A 414 9.198 3.650 -7.530 1.00 0.00 C ATOM 495 CD GLU A 414 8.056 4.214 -8.348 1.00 0.00 C ATOM 496 OE1 GLU A 414 6.928 4.325 -7.823 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.274 4.520 -9.537 1.00 0.00 O ATOM 0 H GLU A 414 10.764 4.994 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 414 7.912 5.371 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.618 2.850 -5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.912 2.916 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.058 4.315 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 414 9.497 2.690 -7.950 1.00 0.00 H new ATOM 504 N LYS A 415 7.263 3.860 -3.583 1.00 0.00 N ATOM 505 CA LYS A 415 6.856 3.520 -2.230 1.00 0.00 C ATOM 506 C LYS A 415 6.372 2.079 -2.179 1.00 0.00 C ATOM 507 O LYS A 415 5.764 1.591 -3.130 1.00 0.00 O ATOM 508 CB LYS A 415 5.749 4.463 -1.752 1.00 0.00 C ATOM 509 CG LYS A 415 5.388 4.290 -0.285 1.00 0.00 C ATOM 510 CD LYS A 415 6.516 4.740 0.629 1.00 0.00 C ATOM 511 CE LYS A 415 6.746 6.241 0.539 1.00 0.00 C ATOM 512 NZ LYS A 415 8.020 6.639 1.187 1.00 0.00 N ATOM 0 H LYS A 415 6.608 3.566 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 415 7.716 3.630 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 415 6.064 5.493 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.858 4.299 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 415 4.488 4.863 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.156 3.243 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.281 4.469 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.433 4.214 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.759 6.545 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.917 6.766 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 8.144 7.668 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.997 6.371 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 8.813 6.157 0.718 1.00 0.00 H new ATOM 526 N ASN A 416 6.719 1.380 -1.106 1.00 0.00 N ATOM 527 CA ASN A 416 6.368 -0.026 -0.962 1.00 0.00 C ATOM 528 C ASN A 416 4.859 -0.195 -0.811 1.00 0.00 C ATOM 529 O ASN A 416 4.209 -0.816 -1.641 1.00 0.00 O ATOM 530 CB ASN A 416 7.091 -0.650 0.235 1.00 0.00 C ATOM 531 CG ASN A 416 8.601 -0.629 0.093 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.232 0.425 0.172 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.189 -1.793 -0.122 1.00 0.00 N ATOM 0 H ASN A 416 7.244 1.765 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 416 6.687 -0.544 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 416 6.810 -0.115 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.757 -1.681 0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.202 -1.840 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.630 -2.644 -0.181 1.00 0.00 H new ATOM 540 N CYS A 417 4.275 0.424 0.196 1.00 0.00 N ATOM 541 CA CYS A 417 2.830 0.376 0.329 1.00 0.00 C ATOM 542 C CYS A 417 2.206 1.494 -0.485 1.00 0.00 C ATOM 543 O CYS A 417 2.539 2.664 -0.305 1.00 0.00 O ATOM 544 CB CYS A 417 2.399 0.479 1.789 1.00 0.00 C ATOM 545 SG CYS A 417 0.623 0.160 2.050 1.00 0.00 S ATOM 0 H CYS A 417 4.763 0.954 0.918 1.00 0.00 H new ATOM 0 HA CYS A 417 2.484 -0.586 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 417 2.978 -0.230 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.639 1.475 2.161 1.00 0.00 H new ATOM 550 N GLN A 418 1.340 1.132 -1.417 1.00 0.00 N ATOM 551 CA GLN A 418 0.716 2.114 -2.288 1.00 0.00 C ATOM 552 C GLN A 418 -0.647 1.643 -2.776 1.00 0.00 C ATOM 553 O GLN A 418 -0.968 0.453 -2.712 1.00 0.00 O ATOM 554 CB GLN A 418 1.635 2.482 -3.467 1.00 0.00 C ATOM 555 CG GLN A 418 2.464 1.331 -4.024 1.00 0.00 C ATOM 556 CD GLN A 418 1.635 0.283 -4.733 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.821 -0.968 -4.357 1.00 0.00 O flip ATOM 558 NE2 GLN A 418 0.841 0.595 -5.618 1.00 0.00 N flip ATOM 0 H GLN A 418 1.054 0.168 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 418 0.557 3.017 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.023 2.891 -4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.311 3.275 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.205 1.729 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.012 0.860 -3.208 1.00 0.00 H new ATOM 0 HE21 GLN A 418 0.727 1.574 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.296 -0.126 -6.091 1.00 0.00 H new ATOM 567 N PHE A 419 -1.487 2.612 -3.111 1.00 0.00 N ATOM 568 CA PHE A 419 -2.877 2.363 -3.480 1.00 0.00 C ATOM 569 C PHE A 419 -2.972 1.490 -4.726 1.00 0.00 C ATOM 570 O PHE A 419 -2.386 1.806 -5.762 1.00 0.00 O ATOM 571 CB PHE A 419 -3.570 3.703 -3.736 1.00 0.00 C ATOM 572 CG PHE A 419 -5.068 3.653 -3.681 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.718 3.110 -2.588 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.827 4.161 -4.722 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.097 3.076 -2.533 1.00 0.00 C ATOM 576 CE2 PHE A 419 -7.205 4.127 -4.672 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.842 3.583 -3.576 1.00 0.00 C ATOM 0 H PHE A 419 -1.225 3.597 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.366 1.834 -2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.217 4.426 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.268 4.072 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.141 2.708 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -5.334 4.589 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.592 2.652 -1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.785 4.526 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.921 3.554 -3.535 1.00 0.00 H new ATOM 587 N ASN A 420 -3.755 0.421 -4.639 1.00 0.00 N ATOM 588 CA ASN A 420 -3.970 -0.456 -5.784 1.00 0.00 C ATOM 589 C ASN A 420 -5.235 -0.060 -6.537 1.00 0.00 C ATOM 590 O ASN A 420 -5.640 -0.728 -7.489 1.00 0.00 O ATOM 591 CB ASN A 420 -4.053 -1.922 -5.349 1.00 0.00 C ATOM 592 CG ASN A 420 -5.120 -2.184 -4.301 1.00 0.00 C ATOM 593 OD1 ASN A 420 -6.286 -1.843 -4.478 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.731 -2.826 -3.211 1.00 0.00 N ATOM 0 H ASN A 420 -4.249 0.141 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 420 -3.115 -0.345 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -4.254 -2.541 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.085 -2.231 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.409 -3.053 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.753 -3.094 -3.098 1.00 0.00 H new ATOM 601 N SER A 421 -5.853 1.027 -6.085 1.00 0.00 N ATOM 602 CA SER A 421 -7.083 1.536 -6.678 1.00 0.00 C ATOM 603 C SER A 421 -8.223 0.527 -6.489 1.00 0.00 C ATOM 604 O SER A 421 -8.503 0.113 -5.365 1.00 0.00 O ATOM 605 CB SER A 421 -6.853 1.885 -8.155 1.00 0.00 C ATOM 606 OG SER A 421 -7.965 2.561 -8.719 1.00 0.00 O ATOM 0 H SER A 421 -5.514 1.579 -5.297 1.00 0.00 H new ATOM 0 HA SER A 421 -7.378 2.454 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.964 2.510 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 421 -6.660 0.972 -8.718 1.00 0.00 H new ATOM 0 HG SER A 421 -7.780 2.768 -9.659 1.00 0.00 H new ATOM 612 N THR A 422 -8.911 0.170 -7.564 1.00 0.00 N ATOM 613 CA THR A 422 -10.048 -0.737 -7.473 1.00 0.00 C ATOM 614 C THR A 422 -9.602 -2.200 -7.562 1.00 0.00 C ATOM 615 O THR A 422 -10.388 -3.085 -7.915 1.00 0.00 O ATOM 616 CB THR A 422 -11.061 -0.440 -8.592 1.00 0.00 C ATOM 617 OG1 THR A 422 -11.071 0.968 -8.871 1.00 0.00 O ATOM 618 CG2 THR A 422 -12.462 -0.883 -8.193 1.00 0.00 C ATOM 0 H THR A 422 -8.703 0.494 -8.509 1.00 0.00 H new ATOM 0 HA THR A 422 -10.520 -0.578 -6.504 1.00 0.00 H new ATOM 0 HB THR A 422 -10.761 -0.995 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.715 1.155 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 422 -13.158 -0.661 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.463 -1.955 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.770 -0.350 -7.293 1.00 0.00 H new ATOM 626 N LYS A 423 -8.356 -2.461 -7.189 1.00 0.00 N ATOM 627 CA LYS A 423 -7.833 -3.819 -7.177 1.00 0.00 C ATOM 628 C LYS A 423 -8.338 -4.561 -5.945 1.00 0.00 C ATOM 629 O LYS A 423 -8.956 -5.616 -6.057 1.00 0.00 O ATOM 630 CB LYS A 423 -6.300 -3.799 -7.210 1.00 0.00 C ATOM 631 CG LYS A 423 -5.651 -5.169 -7.342 1.00 0.00 C ATOM 632 CD LYS A 423 -5.330 -5.779 -5.984 1.00 0.00 C ATOM 633 CE LYS A 423 -4.647 -7.131 -6.128 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.332 -7.023 -6.815 1.00 0.00 N ATOM 0 H LYS A 423 -7.689 -1.749 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 423 -8.186 -4.343 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.976 -3.176 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.936 -3.326 -6.298 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -6.317 -5.835 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.735 -5.082 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.685 -5.102 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.249 -5.894 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.505 -7.572 -5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.294 -7.806 -6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.806 -7.913 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.483 -6.840 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.786 -6.241 -6.399 1.00 0.00 H new ATOM 648 N ALA A 424 -8.129 -3.966 -4.779 1.00 0.00 N ATOM 649 CA ALA A 424 -8.623 -4.537 -3.538 1.00 0.00 C ATOM 650 C ALA A 424 -9.988 -3.965 -3.208 1.00 0.00 C ATOM 651 O ALA A 424 -10.184 -2.749 -3.250 1.00 0.00 O ATOM 652 CB ALA A 424 -7.643 -4.287 -2.403 1.00 0.00 C ATOM 0 H ALA A 424 -7.621 -3.089 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.720 -5.615 -3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.033 -4.723 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.683 -4.745 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.509 -3.214 -2.268 1.00 0.00 H new ATOM 658 N SER A 425 -10.939 -4.855 -2.954 1.00 0.00 N ATOM 659 CA SER A 425 -12.318 -4.468 -2.689 1.00 0.00 C ATOM 660 C SER A 425 -12.916 -3.772 -3.917 1.00 0.00 C ATOM 661 O SER A 425 -12.706 -4.220 -5.049 1.00 0.00 O ATOM 662 CB SER A 425 -12.385 -3.567 -1.449 1.00 0.00 C ATOM 663 OG SER A 425 -11.685 -4.153 -0.362 1.00 0.00 O ATOM 0 H SER A 425 -10.777 -5.862 -2.926 1.00 0.00 H new ATOM 0 HA SER A 425 -12.909 -5.361 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.957 -2.591 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 425 -13.426 -3.401 -1.170 1.00 0.00 H new ATOM 0 HG SER A 425 -10.815 -3.714 -0.259 1.00 0.00 H new ATOM 669 N LYS A 426 -13.659 -2.693 -3.702 1.00 0.00 N ATOM 670 CA LYS A 426 -14.279 -1.956 -4.796 1.00 0.00 C ATOM 671 C LYS A 426 -14.787 -0.607 -4.304 1.00 0.00 C ATOM 672 O LYS A 426 -15.013 -0.417 -3.109 1.00 0.00 O ATOM 673 CB LYS A 426 -15.427 -2.766 -5.414 1.00 0.00 C ATOM 674 CG LYS A 426 -16.526 -3.129 -4.430 1.00 0.00 C ATOM 675 CD LYS A 426 -17.637 -3.918 -5.102 1.00 0.00 C ATOM 676 CE LYS A 426 -18.755 -4.240 -4.128 1.00 0.00 C ATOM 677 NZ LYS A 426 -19.852 -5.007 -4.771 1.00 0.00 N ATOM 0 H LYS A 426 -13.847 -2.308 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 426 -13.526 -1.787 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -15.862 -2.194 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -15.022 -3.682 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -16.105 -3.715 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -16.938 -2.220 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -18.036 -3.346 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -17.232 -4.843 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -18.353 -4.814 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -19.154 -3.313 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -20.594 -5.205 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -20.254 -4.450 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -19.478 -5.904 -5.142 1.00 0.00 H new ATOM 691 N SER A 427 -14.923 0.334 -5.222 1.00 0.00 N ATOM 692 CA SER A 427 -15.394 1.668 -4.893 1.00 0.00 C ATOM 693 C SER A 427 -16.112 2.249 -6.101 1.00 0.00 C ATOM 694 O SER A 427 -15.756 1.863 -7.235 1.00 0.00 O ATOM 695 CB SER A 427 -14.218 2.570 -4.493 1.00 0.00 C ATOM 696 OG SER A 427 -13.421 1.959 -3.490 1.00 0.00 O ATOM 697 OXT SER A 427 -17.036 3.069 -5.920 1.00 0.00 O ATOM 0 H SER A 427 -14.712 0.196 -6.210 1.00 0.00 H new ATOM 0 HA SER A 427 -16.081 1.611 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 427 -13.605 2.783 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 427 -14.596 3.525 -4.129 1.00 0.00 H new ATOM 0 HG SER A 427 -12.678 2.554 -3.255 1.00 0.00 H new TER 703 SER A 427