USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=15 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 Single : A 383 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.038) USER MOD Single : A 384 SER OG : rot 57:sc= 0.11 USER MOD Single : A 390 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.21) 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 -78:sc= 0.978 USER MOD Single : A 402 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.268) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= -3.85! K(o=-3.8!,f=-4.6) USER MOD Single : A 408 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-1.06) USER MOD Single : A 411 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.136) USER MOD Single : A 415 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0202) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 418 GLN : amide:sc= 0.476 K(o=0.48,f=-0.073) USER MOD Single : A 420 ASN : amide:sc= -2.76 K(o=-2.8,f=-12!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0112) USER MOD Single : A 425 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 426 LYS NZ :NH3+ -107:sc= -0.546 (180deg=-2.19!) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -7.418 15.511 3.478 1.00 0.00 N ATOM 2 CA GLY A 382 -8.746 14.992 3.071 1.00 0.00 C ATOM 3 C GLY A 382 -8.662 13.572 2.569 1.00 0.00 C ATOM 4 O GLY A 382 -7.951 12.749 3.147 1.00 0.00 O ATOM 0 HA2 GLY A 382 -9.430 15.038 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -9.162 15.629 2.291 1.00 0.00 H new ATOM 10 N LYS A 383 -9.335 13.295 1.465 1.00 0.00 N ATOM 11 CA LYS A 383 -9.279 11.978 0.854 1.00 0.00 C ATOM 12 C LYS A 383 -7.924 11.765 0.195 1.00 0.00 C ATOM 13 O LYS A 383 -7.517 12.537 -0.675 1.00 0.00 O ATOM 14 CB LYS A 383 -10.398 11.819 -0.176 1.00 0.00 C ATOM 15 CG LYS A 383 -11.796 11.815 0.423 1.00 0.00 C ATOM 16 CD LYS A 383 -12.040 10.572 1.264 1.00 0.00 C ATOM 17 CE LYS A 383 -13.471 10.512 1.774 1.00 0.00 C ATOM 18 NZ LYS A 383 -13.771 11.610 2.730 1.00 0.00 N ATOM 0 H LYS A 383 -9.927 13.965 0.973 1.00 0.00 H new ATOM 0 HA LYS A 383 -9.415 11.227 1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -10.327 12.629 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.245 10.888 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.931 12.704 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -12.535 11.865 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.827 9.683 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.352 10.563 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -14.159 10.569 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -13.642 9.552 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -14.721 11.473 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.069 11.604 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.733 12.523 2.233 1.00 0.00 H new ATOM 32 N SER A 384 -7.214 10.745 0.646 1.00 0.00 N ATOM 33 CA SER A 384 -5.881 10.457 0.139 1.00 0.00 C ATOM 34 C SER A 384 -5.443 9.044 0.529 1.00 0.00 C ATOM 35 O SER A 384 -4.571 8.871 1.379 1.00 0.00 O ATOM 36 CB SER A 384 -4.883 11.492 0.675 1.00 0.00 C ATOM 37 OG SER A 384 -4.990 11.631 2.084 1.00 0.00 O ATOM 0 H SER A 384 -7.539 10.099 1.365 1.00 0.00 H new ATOM 0 HA SER A 384 -5.904 10.515 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 384 -3.868 11.191 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.063 12.455 0.198 1.00 0.00 H new ATOM 0 HG SER A 384 -4.851 10.760 2.510 1.00 0.00 H new ATOM 43 N PRO A 385 -6.063 8.013 -0.072 1.00 0.00 N ATOM 44 CA PRO A 385 -5.754 6.614 0.239 1.00 0.00 C ATOM 45 C PRO A 385 -4.289 6.272 -0.014 1.00 0.00 C ATOM 46 O PRO A 385 -3.643 5.624 0.814 1.00 0.00 O ATOM 47 CB PRO A 385 -6.654 5.817 -0.705 1.00 0.00 C ATOM 48 CG PRO A 385 -7.733 6.756 -1.113 1.00 0.00 C ATOM 49 CD PRO A 385 -7.128 8.131 -1.083 1.00 0.00 C ATOM 0 HA PRO A 385 -5.924 6.393 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.096 5.460 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.065 4.939 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.102 6.515 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.583 6.690 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.728 8.416 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.863 8.887 -0.807 1.00 0.00 H new ATOM 57 N GLU A 386 -3.761 6.741 -1.142 1.00 0.00 N ATOM 58 CA GLU A 386 -2.367 6.500 -1.492 1.00 0.00 C ATOM 59 C GLU A 386 -1.438 7.097 -0.443 1.00 0.00 C ATOM 60 O GLU A 386 -0.568 6.407 0.085 1.00 0.00 O ATOM 61 CB GLU A 386 -2.051 7.085 -2.871 1.00 0.00 C ATOM 62 CG GLU A 386 -0.615 6.856 -3.313 1.00 0.00 C ATOM 63 CD GLU A 386 -0.313 7.437 -4.682 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.225 8.017 -5.310 1.00 0.00 O ATOM 65 OE2 GLU A 386 0.843 7.311 -5.139 1.00 0.00 O ATOM 0 H GLU A 386 -4.279 7.290 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.206 5.422 -1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.724 6.644 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.252 8.156 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.059 7.299 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.412 5.785 -3.327 1.00 0.00 H new ATOM 72 N ALA A 387 -1.661 8.366 -0.115 1.00 0.00 N ATOM 73 CA ALA A 387 -0.855 9.061 0.882 1.00 0.00 C ATOM 74 C ALA A 387 -0.926 8.367 2.237 1.00 0.00 C ATOM 75 O ALA A 387 0.091 8.219 2.919 1.00 0.00 O ATOM 76 CB ALA A 387 -1.304 10.506 1.007 1.00 0.00 C ATOM 0 H ALA A 387 -2.398 8.937 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 387 0.182 9.038 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -0.694 11.013 1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.190 11.007 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.350 10.537 1.311 1.00 0.00 H new ATOM 82 N GLU A 388 -2.125 7.915 2.604 1.00 0.00 N ATOM 83 CA GLU A 388 -2.322 7.204 3.861 1.00 0.00 C ATOM 84 C GLU A 388 -1.529 5.903 3.876 1.00 0.00 C ATOM 85 O GLU A 388 -0.809 5.616 4.835 1.00 0.00 O ATOM 86 CB GLU A 388 -3.803 6.903 4.093 1.00 0.00 C ATOM 87 CG GLU A 388 -4.666 8.136 4.304 1.00 0.00 C ATOM 88 CD GLU A 388 -6.128 7.790 4.506 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.456 6.585 4.561 1.00 0.00 O ATOM 90 OE2 GLU A 388 -6.957 8.716 4.619 1.00 0.00 O ATOM 0 H GLU A 388 -2.972 8.030 2.047 1.00 0.00 H new ATOM 0 HA GLU A 388 -1.964 7.849 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.187 6.347 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -3.898 6.254 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -4.302 8.687 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.567 8.797 3.443 1.00 0.00 H new ATOM 97 N CYS A 389 -1.674 5.107 2.820 1.00 0.00 N ATOM 98 CA CYS A 389 -0.985 3.830 2.734 1.00 0.00 C ATOM 99 C CYS A 389 0.525 4.017 2.597 1.00 0.00 C ATOM 100 O CYS A 389 1.296 3.242 3.149 1.00 0.00 O ATOM 101 CB CYS A 389 -1.553 3.008 1.578 1.00 0.00 C ATOM 102 SG CYS A 389 -3.265 2.450 1.868 1.00 0.00 S ATOM 0 H CYS A 389 -2.262 5.326 2.016 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.153 3.284 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.521 3.605 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -0.917 2.138 1.412 1.00 0.00 H new ATOM 107 N ASN A 390 0.940 5.080 1.913 1.00 0.00 N ATOM 108 CA ASN A 390 2.363 5.386 1.726 1.00 0.00 C ATOM 109 C ASN A 390 3.135 5.384 3.044 1.00 0.00 C ATOM 110 O ASN A 390 4.321 5.048 3.075 1.00 0.00 O ATOM 111 CB ASN A 390 2.536 6.747 1.045 1.00 0.00 C ATOM 112 CG ASN A 390 2.464 6.683 -0.471 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.445 7.716 -1.143 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.446 5.481 -1.027 1.00 0.00 N ATOM 0 H ASN A 390 0.309 5.751 1.475 1.00 0.00 H new ATOM 0 HA ASN A 390 2.771 4.598 1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.765 7.426 1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 390 3.497 7.170 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.415 5.389 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.463 4.647 -0.440 1.00 0.00 H new ATOM 121 N LYS A 391 2.487 5.831 4.114 1.00 0.00 N ATOM 122 CA LYS A 391 3.144 5.948 5.413 1.00 0.00 C ATOM 123 C LYS A 391 3.404 4.581 6.049 1.00 0.00 C ATOM 124 O LYS A 391 4.253 4.458 6.931 1.00 0.00 O ATOM 125 CB LYS A 391 2.318 6.821 6.358 1.00 0.00 C ATOM 126 CG LYS A 391 2.061 8.218 5.812 1.00 0.00 C ATOM 127 CD LYS A 391 1.687 9.207 6.907 1.00 0.00 C ATOM 128 CE LYS A 391 2.868 9.504 7.823 1.00 0.00 C ATOM 129 NZ LYS A 391 2.610 10.670 8.708 1.00 0.00 N ATOM 0 H LYS A 391 1.508 6.118 4.109 1.00 0.00 H new ATOM 0 HA LYS A 391 4.111 6.422 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 391 1.363 6.332 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 391 2.835 6.901 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 391 2.952 8.573 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 391 1.259 8.176 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.334 10.134 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 391 0.862 8.805 7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 391 3.082 8.627 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 391 3.755 9.697 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 3.439 10.836 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 2.431 11.514 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 1.779 10.477 9.303 1.00 0.00 H new ATOM 143 N ILE A 392 2.662 3.565 5.623 1.00 0.00 N ATOM 144 CA ILE A 392 2.842 2.217 6.151 1.00 0.00 C ATOM 145 C ILE A 392 4.158 1.621 5.647 1.00 0.00 C ATOM 146 O ILE A 392 4.431 1.641 4.447 1.00 0.00 O ATOM 147 CB ILE A 392 1.676 1.285 5.746 1.00 0.00 C ATOM 148 CG1 ILE A 392 0.325 1.910 6.118 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.829 -0.080 6.401 1.00 0.00 C ATOM 150 CD1 ILE A 392 0.164 2.180 7.598 1.00 0.00 C ATOM 0 H ILE A 392 1.932 3.648 4.916 1.00 0.00 H new ATOM 0 HA ILE A 392 2.862 2.295 7.238 1.00 0.00 H new ATOM 0 HB ILE A 392 1.706 1.154 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 392 0.206 2.846 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.475 1.246 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.999 -0.721 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.769 -0.532 6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.829 0.035 7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -0.815 2.622 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 392 0.250 1.244 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.941 2.869 7.929 1.00 0.00 H new ATOM 162 N THR A 393 4.975 1.115 6.558 1.00 0.00 N ATOM 163 CA THR A 393 6.268 0.552 6.195 1.00 0.00 C ATOM 164 C THR A 393 6.328 -0.937 6.520 1.00 0.00 C ATOM 165 O THR A 393 7.407 -1.505 6.690 1.00 0.00 O ATOM 166 CB THR A 393 7.412 1.280 6.930 1.00 0.00 C ATOM 167 OG1 THR A 393 7.168 1.273 8.341 1.00 0.00 O ATOM 168 CG2 THR A 393 7.548 2.716 6.446 1.00 0.00 C ATOM 0 H THR A 393 4.766 1.082 7.556 1.00 0.00 H new ATOM 0 HA THR A 393 6.390 0.687 5.120 1.00 0.00 H new ATOM 0 HB THR A 393 8.341 0.753 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 393 7.899 1.735 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 393 8.362 3.205 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.762 2.721 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 393 6.618 3.252 6.632 1.00 0.00 H new ATOM 176 N GLU A 394 5.163 -1.574 6.581 1.00 0.00 N ATOM 177 CA GLU A 394 5.082 -2.998 6.883 1.00 0.00 C ATOM 178 C GLU A 394 4.078 -3.683 5.966 1.00 0.00 C ATOM 179 O GLU A 394 2.942 -3.229 5.838 1.00 0.00 O ATOM 180 CB GLU A 394 4.665 -3.214 8.343 1.00 0.00 C ATOM 181 CG GLU A 394 5.643 -2.650 9.361 1.00 0.00 C ATOM 182 CD GLU A 394 6.962 -3.395 9.391 1.00 0.00 C ATOM 183 OE1 GLU A 394 7.108 -4.395 8.660 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.856 -2.994 10.165 1.00 0.00 O ATOM 0 H GLU A 394 4.260 -1.125 6.425 1.00 0.00 H new ATOM 0 HA GLU A 394 6.069 -3.433 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.689 -2.756 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.549 -4.283 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 394 5.830 -1.600 9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.189 -2.686 10.351 1.00 0.00 H new ATOM 191 N GLU A 395 4.485 -4.801 5.374 1.00 0.00 N ATOM 192 CA GLU A 395 3.615 -5.579 4.504 1.00 0.00 C ATOM 193 C GLU A 395 2.367 -6.077 5.245 1.00 0.00 C ATOM 194 O GLU A 395 1.261 -5.924 4.737 1.00 0.00 O ATOM 195 CB GLU A 395 4.374 -6.766 3.901 1.00 0.00 C ATOM 196 CG GLU A 395 3.566 -7.539 2.870 1.00 0.00 C ATOM 197 CD GLU A 395 4.321 -8.718 2.297 1.00 0.00 C ATOM 198 OE1 GLU A 395 4.606 -9.669 3.054 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.640 -8.695 1.090 1.00 0.00 O ATOM 0 H GLU A 395 5.421 -5.190 5.484 1.00 0.00 H new ATOM 0 HA GLU A 395 3.288 -4.919 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.290 -6.403 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 395 4.670 -7.443 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 395 2.643 -7.893 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.282 -6.867 2.060 1.00 0.00 H new ATOM 206 N PRO A 396 2.508 -6.670 6.454 1.00 0.00 N ATOM 207 CA PRO A 396 1.358 -7.183 7.211 1.00 0.00 C ATOM 208 C PRO A 396 0.296 -6.110 7.447 1.00 0.00 C ATOM 209 O PRO A 396 -0.900 -6.364 7.312 1.00 0.00 O ATOM 210 CB PRO A 396 1.958 -7.653 8.544 1.00 0.00 C ATOM 211 CG PRO A 396 3.332 -7.078 8.595 1.00 0.00 C ATOM 212 CD PRO A 396 3.774 -6.911 7.172 1.00 0.00 C ATOM 0 HA PRO A 396 0.847 -7.979 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 396 1.358 -7.308 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.987 -8.741 8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 396 3.333 -6.121 9.117 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.009 -7.738 9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.466 -6.076 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.285 -7.800 6.802 1.00 0.00 H new ATOM 220 N LYS A 397 0.739 -4.900 7.759 1.00 0.00 N ATOM 221 CA LYS A 397 -0.180 -3.794 7.987 1.00 0.00 C ATOM 222 C LYS A 397 -0.700 -3.225 6.669 1.00 0.00 C ATOM 223 O LYS A 397 -1.873 -2.875 6.557 1.00 0.00 O ATOM 224 CB LYS A 397 0.491 -2.699 8.817 1.00 0.00 C ATOM 225 CG LYS A 397 0.925 -3.185 10.190 1.00 0.00 C ATOM 226 CD LYS A 397 1.234 -2.036 11.137 1.00 0.00 C ATOM 227 CE LYS A 397 2.422 -1.214 10.669 1.00 0.00 C ATOM 228 NZ LYS A 397 2.784 -0.160 11.651 1.00 0.00 N ATOM 0 H LYS A 397 1.725 -4.660 7.860 1.00 0.00 H new ATOM 0 HA LYS A 397 -1.033 -4.179 8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.360 -2.322 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.199 -1.863 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.138 -3.805 10.619 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.808 -3.816 10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 397 0.359 -1.392 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.437 -2.432 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 397 3.277 -1.870 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.189 -0.752 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 3.599 0.380 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 1.976 0.481 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 3.031 -0.602 12.560 1.00 0.00 H new ATOM 242 N CYS A 398 0.183 -3.107 5.687 1.00 0.00 N ATOM 243 CA CYS A 398 -0.185 -2.550 4.387 1.00 0.00 C ATOM 244 C CYS A 398 -1.179 -3.452 3.666 1.00 0.00 C ATOM 245 O CYS A 398 -2.139 -2.979 3.064 1.00 0.00 O ATOM 246 CB CYS A 398 1.053 -2.357 3.514 1.00 0.00 C ATOM 247 SG CYS A 398 0.711 -1.560 1.914 1.00 0.00 S ATOM 0 H CYS A 398 1.160 -3.389 5.763 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.654 -1.582 4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.780 -1.756 4.060 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.513 -3.328 3.334 1.00 0.00 H new ATOM 252 N SER A 399 -0.940 -4.754 3.736 1.00 0.00 N ATOM 253 CA SER A 399 -1.808 -5.729 3.097 1.00 0.00 C ATOM 254 C SER A 399 -3.196 -5.704 3.732 1.00 0.00 C ATOM 255 O SER A 399 -4.205 -5.915 3.057 1.00 0.00 O ATOM 256 CB SER A 399 -1.183 -7.126 3.197 1.00 0.00 C ATOM 257 OG SER A 399 -0.991 -7.511 4.550 1.00 0.00 O ATOM 0 H SER A 399 -0.147 -5.160 4.232 1.00 0.00 H new ATOM 0 HA SER A 399 -1.917 -5.473 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.827 -7.851 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 399 -0.226 -7.137 2.675 1.00 0.00 H new ATOM 0 HG SER A 399 -0.195 -7.065 4.907 1.00 0.00 H new ATOM 263 N GLU A 400 -3.235 -5.390 5.026 1.00 0.00 N ATOM 264 CA GLU A 400 -4.488 -5.274 5.760 1.00 0.00 C ATOM 265 C GLU A 400 -5.338 -4.135 5.201 1.00 0.00 C ATOM 266 O GLU A 400 -6.566 -4.240 5.133 1.00 0.00 O ATOM 267 CB GLU A 400 -4.214 -5.038 7.248 1.00 0.00 C ATOM 268 CG GLU A 400 -5.468 -5.043 8.107 1.00 0.00 C ATOM 269 CD GLU A 400 -6.040 -6.432 8.304 1.00 0.00 C ATOM 270 OE1 GLU A 400 -6.228 -7.158 7.303 1.00 0.00 O ATOM 271 OE2 GLU A 400 -6.320 -6.801 9.461 1.00 0.00 O ATOM 0 H GLU A 400 -2.404 -5.211 5.589 1.00 0.00 H new ATOM 0 HA GLU A 400 -5.037 -6.208 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.533 -5.808 7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.706 -4.081 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.238 -4.609 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.222 -4.407 7.644 1.00 0.00 H new ATOM 278 N GLU A 401 -4.673 -3.067 4.767 1.00 0.00 N ATOM 279 CA GLU A 401 -5.352 -1.922 4.171 1.00 0.00 C ATOM 280 C GLU A 401 -6.169 -2.350 2.963 1.00 0.00 C ATOM 281 O GLU A 401 -5.663 -3.030 2.066 1.00 0.00 O ATOM 282 CB GLU A 401 -4.343 -0.859 3.734 1.00 0.00 C ATOM 283 CG GLU A 401 -3.580 -0.222 4.876 1.00 0.00 C ATOM 284 CD GLU A 401 -4.483 0.542 5.822 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.204 1.454 5.364 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.468 0.244 7.032 1.00 0.00 O ATOM 0 H GLU A 401 -3.659 -2.972 4.818 1.00 0.00 H new ATOM 0 HA GLU A 401 -6.015 -1.503 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.631 -1.312 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.869 -0.079 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.050 -0.996 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.826 0.454 4.473 1.00 0.00 H new ATOM 293 N LYS A 402 -7.416 -1.921 2.923 1.00 0.00 N ATOM 294 CA LYS A 402 -8.271 -2.214 1.794 1.00 0.00 C ATOM 295 C LYS A 402 -7.837 -1.402 0.584 1.00 0.00 C ATOM 296 O LYS A 402 -7.492 -0.224 0.709 1.00 0.00 O ATOM 297 CB LYS A 402 -9.735 -1.937 2.136 1.00 0.00 C ATOM 298 CG LYS A 402 -10.271 -2.844 3.229 1.00 0.00 C ATOM 299 CD LYS A 402 -11.744 -2.587 3.499 1.00 0.00 C ATOM 300 CE LYS A 402 -12.276 -3.505 4.589 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.556 -3.311 5.876 1.00 0.00 N ATOM 0 H LYS A 402 -7.857 -1.369 3.659 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.178 -3.273 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.839 -0.898 2.450 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -10.342 -2.061 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.130 -3.885 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.700 -2.688 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -11.885 -1.548 3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -12.315 -2.738 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -13.339 -3.316 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.177 -4.543 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.079 -3.782 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -10.603 -3.720 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -11.482 -2.294 6.083 1.00 0.00 H new ATOM 315 N ILE A 403 -7.804 -2.077 -0.561 1.00 0.00 N ATOM 316 CA ILE A 403 -7.400 -1.510 -1.850 1.00 0.00 C ATOM 317 C ILE A 403 -6.036 -0.794 -1.794 1.00 0.00 C ATOM 318 O ILE A 403 -5.715 0.032 -2.649 1.00 0.00 O ATOM 319 CB ILE A 403 -8.518 -0.617 -2.466 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.262 -0.388 -3.956 1.00 0.00 C ATOM 321 CG2 ILE A 403 -8.656 0.721 -1.749 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.438 0.209 -4.690 1.00 0.00 C ATOM 0 H ILE A 403 -8.064 -3.061 -0.623 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.259 -2.354 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.458 -1.154 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.401 0.271 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.000 -1.338 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -9.448 1.305 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -8.903 0.549 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -7.715 1.268 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.181 0.342 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.295 -0.459 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.688 1.175 -4.252 1.00 0.00 H new ATOM 334 N CYS A 404 -5.139 -1.327 -0.970 1.00 0.00 N ATOM 335 CA CYS A 404 -3.737 -0.930 -1.008 1.00 0.00 C ATOM 336 C CYS A 404 -2.860 -2.169 -1.131 1.00 0.00 C ATOM 337 O CYS A 404 -3.278 -3.266 -0.760 1.00 0.00 O ATOM 338 CB CYS A 404 -3.356 -0.105 0.221 1.00 0.00 C ATOM 339 SG CYS A 404 -3.846 1.647 0.099 1.00 0.00 S ATOM 0 H CYS A 404 -5.359 -2.034 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.578 -0.295 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.822 -0.544 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -2.278 -0.163 0.368 1.00 0.00 H new ATOM 344 N SER A 405 -1.732 -2.030 -1.810 1.00 0.00 N ATOM 345 CA SER A 405 -0.904 -3.182 -2.128 1.00 0.00 C ATOM 346 C SER A 405 0.542 -2.947 -1.710 1.00 0.00 C ATOM 347 O SER A 405 1.046 -1.825 -1.789 1.00 0.00 O ATOM 348 CB SER A 405 -0.982 -3.474 -3.630 1.00 0.00 C ATOM 349 OG SER A 405 -0.341 -4.696 -3.952 1.00 0.00 O ATOM 0 H SER A 405 -1.371 -1.138 -2.149 1.00 0.00 H new ATOM 0 HA SER A 405 -1.278 -4.043 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.026 -3.516 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.517 -2.660 -4.185 1.00 0.00 H new ATOM 0 HG SER A 405 -0.408 -4.857 -4.916 1.00 0.00 H new ATOM 355 N TRP A 406 1.212 -4.011 -1.282 1.00 0.00 N ATOM 356 CA TRP A 406 2.611 -3.918 -0.907 1.00 0.00 C ATOM 357 C TRP A 406 3.501 -4.011 -2.140 1.00 0.00 C ATOM 358 O TRP A 406 3.221 -4.760 -3.077 1.00 0.00 O ATOM 359 CB TRP A 406 2.992 -5.010 0.089 1.00 0.00 C ATOM 360 CG TRP A 406 4.369 -4.827 0.656 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.470 -5.588 0.393 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.790 -3.822 1.583 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.545 -5.120 1.097 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.156 -4.039 1.837 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.148 -2.757 2.220 1.00 0.00 C ATOM 366 CZ2 TRP A 406 6.887 -3.238 2.705 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.877 -1.961 3.082 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.234 -2.204 3.316 1.00 0.00 C ATOM 0 H TRP A 406 0.808 -4.943 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 406 2.761 -2.950 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.268 -5.021 0.903 1.00 0.00 H new ATOM 0 HB3 TRP A 406 2.933 -5.981 -0.403 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.490 -6.437 -0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.485 -5.514 1.074 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.101 -2.560 2.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 7.934 -3.425 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.391 -1.137 3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.777 -1.562 3.993 1.00 0.00 H new ATOM 379 N HIS A 407 4.544 -3.215 -2.139 1.00 0.00 N ATOM 380 CA HIS A 407 5.481 -3.138 -3.239 1.00 0.00 C ATOM 381 C HIS A 407 6.870 -3.487 -2.711 1.00 0.00 C ATOM 382 O HIS A 407 7.494 -2.671 -2.040 1.00 0.00 O ATOM 383 CB HIS A 407 5.452 -1.707 -3.793 1.00 0.00 C ATOM 384 CG HIS A 407 6.091 -1.514 -5.130 1.00 0.00 C ATOM 385 ND1 HIS A 407 7.367 -1.924 -5.430 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.632 -0.883 -6.237 1.00 0.00 C ATOM 387 CE1 HIS A 407 7.663 -1.554 -6.658 1.00 0.00 C ATOM 388 NE2 HIS A 407 6.629 -0.925 -7.172 1.00 0.00 N ATOM 0 H HIS A 407 4.770 -2.593 -1.363 1.00 0.00 H new ATOM 0 HA HIS A 407 5.220 -3.834 -4.036 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.413 -1.384 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.946 -1.050 -3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.659 -0.431 -6.359 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.601 -1.737 -7.161 1.00 0.00 H new ATOM 0 HE2 HIS A 407 6.579 -0.533 -8.112 1.00 0.00 H new ATOM 397 N LYS A 408 7.271 -4.743 -2.871 1.00 0.00 N ATOM 398 CA LYS A 408 8.521 -5.225 -2.281 1.00 0.00 C ATOM 399 C LYS A 408 9.733 -4.508 -2.871 1.00 0.00 C ATOM 400 O LYS A 408 10.279 -3.589 -2.259 1.00 0.00 O ATOM 401 CB LYS A 408 8.662 -6.738 -2.474 1.00 0.00 C ATOM 402 CG LYS A 408 7.611 -7.548 -1.736 1.00 0.00 C ATOM 403 CD LYS A 408 7.788 -9.037 -1.979 1.00 0.00 C ATOM 404 CE LYS A 408 6.749 -9.858 -1.230 1.00 0.00 C ATOM 405 NZ LYS A 408 6.893 -9.735 0.246 1.00 0.00 N ATOM 0 H LYS A 408 6.754 -5.445 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 408 8.484 -5.005 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.603 -6.967 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.651 -7.048 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.675 -7.342 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.617 -7.240 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.713 -9.243 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.787 -9.341 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.751 -9.534 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.841 -10.906 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.669 -10.646 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 7.870 -9.466 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.240 -9.006 0.599 1.00 0.00 H new ATOM 419 N GLU A 409 10.126 -4.889 -4.080 1.00 0.00 N ATOM 420 CA GLU A 409 11.250 -4.245 -4.749 1.00 0.00 C ATOM 421 C GLU A 409 10.808 -2.918 -5.354 1.00 0.00 C ATOM 422 O GLU A 409 10.314 -2.875 -6.480 1.00 0.00 O ATOM 423 CB GLU A 409 11.825 -5.151 -5.839 1.00 0.00 C ATOM 424 CG GLU A 409 13.039 -4.557 -6.538 1.00 0.00 C ATOM 425 CD GLU A 409 13.415 -5.309 -7.794 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.803 -6.490 -7.694 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.319 -4.723 -8.891 1.00 0.00 O ATOM 0 H GLU A 409 9.686 -5.637 -4.616 1.00 0.00 H new ATOM 0 HA GLU A 409 12.029 -4.059 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.101 -6.108 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.051 -5.353 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.835 -3.516 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 409 13.885 -4.559 -5.851 1.00 0.00 H new ATOM 434 N VAL A 410 10.907 -1.853 -4.576 1.00 0.00 N ATOM 435 CA VAL A 410 10.457 -0.546 -5.024 1.00 0.00 C ATOM 436 C VAL A 410 11.456 0.107 -5.966 1.00 0.00 C ATOM 437 O VAL A 410 12.655 0.148 -5.691 1.00 0.00 O ATOM 438 CB VAL A 410 10.173 0.410 -3.849 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.003 -0.096 -3.037 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.397 0.581 -2.961 1.00 0.00 C ATOM 0 H VAL A 410 11.294 -1.868 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 410 9.526 -0.725 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 410 9.924 1.387 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.812 0.587 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.118 -0.155 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.234 -1.086 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.161 1.261 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.690 -0.387 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.218 0.991 -3.549 1.00 0.00 H new ATOM 450 N LYS A 411 10.936 0.714 -7.016 1.00 0.00 N ATOM 451 CA LYS A 411 11.752 1.516 -7.902 1.00 0.00 C ATOM 452 C LYS A 411 11.980 2.874 -7.255 1.00 0.00 C ATOM 453 O LYS A 411 11.082 3.396 -6.589 1.00 0.00 O ATOM 454 CB LYS A 411 11.066 1.670 -9.262 1.00 0.00 C ATOM 455 CG LYS A 411 11.893 2.421 -10.290 1.00 0.00 C ATOM 456 CD LYS A 411 11.210 2.431 -11.647 1.00 0.00 C ATOM 457 CE LYS A 411 11.033 1.021 -12.196 1.00 0.00 C ATOM 458 NZ LYS A 411 12.336 0.347 -12.442 1.00 0.00 N ATOM 0 H LYS A 411 9.951 0.666 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 411 12.712 1.027 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.831 0.680 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.119 2.191 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.053 3.445 -9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 411 12.876 1.958 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.236 2.914 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.799 3.023 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.447 0.430 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.466 1.063 -13.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 12.178 -0.527 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.958 0.981 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.784 0.114 -11.533 1.00 0.00 H new ATOM 472 N ALA A 412 13.197 3.391 -7.356 1.00 0.00 N ATOM 473 CA ALA A 412 13.547 4.649 -6.715 1.00 0.00 C ATOM 474 C ALA A 412 12.575 5.753 -7.116 1.00 0.00 C ATOM 475 O ALA A 412 12.449 6.090 -8.295 1.00 0.00 O ATOM 476 CB ALA A 412 14.972 5.035 -7.069 1.00 0.00 C ATOM 0 H ALA A 412 13.959 2.957 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 412 13.477 4.518 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.225 5.978 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.655 4.257 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 412 15.061 5.147 -8.150 1.00 0.00 H new ATOM 482 N GLY A 413 11.818 6.235 -6.142 1.00 0.00 N ATOM 483 CA GLY A 413 10.783 7.206 -6.418 1.00 0.00 C ATOM 484 C GLY A 413 9.425 6.722 -5.954 1.00 0.00 C ATOM 485 O GLY A 413 8.564 7.521 -5.583 1.00 0.00 O ATOM 0 H GLY A 413 11.904 5.969 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.024 8.146 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 413 10.751 7.410 -7.488 1.00 0.00 H new ATOM 489 N GLU A 414 9.226 5.409 -5.988 1.00 0.00 N ATOM 490 CA GLU A 414 7.961 4.815 -5.574 1.00 0.00 C ATOM 491 C GLU A 414 7.897 4.654 -4.054 1.00 0.00 C ATOM 492 O GLU A 414 8.643 5.304 -3.320 1.00 0.00 O ATOM 493 CB GLU A 414 7.762 3.461 -6.260 1.00 0.00 C ATOM 494 CG GLU A 414 7.796 3.536 -7.777 1.00 0.00 C ATOM 495 CD GLU A 414 7.387 2.236 -8.436 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.056 1.210 -8.207 1.00 0.00 O ATOM 497 OE2 GLU A 414 6.384 2.236 -9.185 1.00 0.00 O ATOM 0 H GLU A 414 9.926 4.735 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 414 7.158 5.487 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.538 2.774 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.806 3.042 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 414 7.132 4.333 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.802 3.802 -8.101 1.00 0.00 H new ATOM 504 N LYS A 415 7.050 3.737 -3.595 1.00 0.00 N ATOM 505 CA LYS A 415 6.883 3.471 -2.166 1.00 0.00 C ATOM 506 C LYS A 415 6.498 2.017 -1.966 1.00 0.00 C ATOM 507 O LYS A 415 5.902 1.409 -2.856 1.00 0.00 O ATOM 508 CB LYS A 415 5.797 4.375 -1.561 1.00 0.00 C ATOM 509 CG LYS A 415 6.236 5.813 -1.332 1.00 0.00 C ATOM 510 CD LYS A 415 7.279 5.908 -0.229 1.00 0.00 C ATOM 511 CE LYS A 415 7.868 7.311 -0.127 1.00 0.00 C ATOM 512 NZ LYS A 415 6.841 8.331 0.229 1.00 0.00 N ATOM 0 H LYS A 415 6.463 3.160 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 415 7.827 3.681 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.930 4.373 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 415 5.475 3.950 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.644 6.222 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 415 5.371 6.421 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.827 5.633 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 415 8.078 5.191 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 415 8.658 7.317 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 415 8.329 7.579 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.299 9.256 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 6.135 8.394 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.371 8.056 1.115 1.00 0.00 H new ATOM 526 N ASN A 416 6.903 1.438 -0.841 1.00 0.00 N ATOM 527 CA ASN A 416 6.602 0.038 -0.570 1.00 0.00 C ATOM 528 C ASN A 416 5.107 -0.145 -0.368 1.00 0.00 C ATOM 529 O ASN A 416 4.463 -0.871 -1.106 1.00 0.00 O ATOM 530 CB ASN A 416 7.350 -0.493 0.656 1.00 0.00 C ATOM 531 CG ASN A 416 8.848 -0.604 0.448 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.541 0.396 0.263 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.358 -1.827 0.482 1.00 0.00 N ATOM 0 H ASN A 416 7.435 1.910 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 416 6.936 -0.533 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.156 0.165 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.954 -1.474 0.917 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.360 -1.965 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.748 -2.630 0.638 1.00 0.00 H new ATOM 540 N CYS A 417 4.520 0.622 0.526 1.00 0.00 N ATOM 541 CA CYS A 417 3.076 0.598 0.643 1.00 0.00 C ATOM 542 C CYS A 417 2.493 1.684 -0.236 1.00 0.00 C ATOM 543 O CYS A 417 2.888 2.848 -0.142 1.00 0.00 O ATOM 544 CB CYS A 417 2.624 0.776 2.087 1.00 0.00 C ATOM 545 SG CYS A 417 0.855 0.417 2.340 1.00 0.00 S ATOM 0 H CYS A 417 5.002 1.253 1.166 1.00 0.00 H new ATOM 0 HA CYS A 417 2.715 -0.377 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.215 0.122 2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.828 1.800 2.400 1.00 0.00 H new ATOM 550 N GLN A 418 1.653 1.286 -1.174 1.00 0.00 N ATOM 551 CA GLN A 418 1.140 2.215 -2.160 1.00 0.00 C ATOM 552 C GLN A 418 -0.205 1.764 -2.700 1.00 0.00 C ATOM 553 O GLN A 418 -0.543 0.578 -2.662 1.00 0.00 O ATOM 554 CB GLN A 418 2.154 2.398 -3.299 1.00 0.00 C ATOM 555 CG GLN A 418 2.829 1.114 -3.764 1.00 0.00 C ATOM 556 CD GLN A 418 1.988 0.297 -4.726 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.635 0.760 -5.807 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.670 -0.927 -4.346 1.00 0.00 N ATOM 0 H GLN A 418 1.314 0.329 -1.273 1.00 0.00 H new ATOM 0 HA GLN A 418 0.989 3.177 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.646 2.854 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.923 3.099 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.775 1.365 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.066 0.503 -2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.982 -1.277 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.113 -1.523 -4.958 1.00 0.00 H new ATOM 567 N PHE A 419 -0.980 2.728 -3.156 1.00 0.00 N ATOM 568 CA PHE A 419 -2.290 2.459 -3.714 1.00 0.00 C ATOM 569 C PHE A 419 -2.151 1.709 -5.028 1.00 0.00 C ATOM 570 O PHE A 419 -1.388 2.124 -5.899 1.00 0.00 O ATOM 571 CB PHE A 419 -3.041 3.758 -3.982 1.00 0.00 C ATOM 572 CG PHE A 419 -4.519 3.563 -3.986 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.174 3.340 -2.795 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.251 3.571 -5.167 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.538 3.140 -2.770 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.615 3.371 -5.149 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.260 3.154 -3.950 1.00 0.00 C ATOM 0 H PHE A 419 -0.721 3.715 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 419 -2.844 1.859 -2.992 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.775 4.493 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.727 4.166 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -4.614 3.322 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.747 3.735 -6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.042 2.973 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.177 3.384 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.328 2.995 -3.932 1.00 0.00 H new ATOM 587 N ASN A 420 -3.014 0.735 -5.249 1.00 0.00 N ATOM 588 CA ASN A 420 -3.109 0.134 -6.563 1.00 0.00 C ATOM 589 C ASN A 420 -4.031 1.001 -7.429 1.00 0.00 C ATOM 590 O ASN A 420 -3.844 2.220 -7.494 1.00 0.00 O ATOM 591 CB ASN A 420 -3.561 -1.340 -6.469 1.00 0.00 C ATOM 592 CG ASN A 420 -4.815 -1.565 -5.632 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.923 -1.196 -6.022 1.00 0.00 O ATOM 594 ND2 ASN A 420 -4.648 -2.205 -4.486 1.00 0.00 N ATOM 0 H ASN A 420 -3.648 0.350 -4.549 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.130 0.103 -7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.739 -1.717 -7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.747 -1.930 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -5.453 -2.408 -3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.714 -2.495 -4.195 1.00 0.00 H new ATOM 601 N SER A 421 -5.073 0.415 -7.992 1.00 0.00 N ATOM 602 CA SER A 421 -6.074 1.164 -8.737 1.00 0.00 C ATOM 603 C SER A 421 -7.176 0.229 -9.217 1.00 0.00 C ATOM 604 O SER A 421 -7.148 -0.261 -10.346 1.00 0.00 O ATOM 605 CB SER A 421 -5.435 1.931 -9.901 1.00 0.00 C ATOM 606 OG SER A 421 -4.454 1.152 -10.569 1.00 0.00 O ATOM 0 H SER A 421 -5.250 -0.588 -7.947 1.00 0.00 H new ATOM 0 HA SER A 421 -6.523 1.904 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 421 -6.209 2.227 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.979 2.847 -9.526 1.00 0.00 H new ATOM 0 HG SER A 421 -4.069 1.672 -11.305 1.00 0.00 H new ATOM 612 N THR A 422 -8.092 -0.080 -8.301 1.00 0.00 N ATOM 613 CA THR A 422 -9.179 -1.018 -8.557 1.00 0.00 C ATOM 614 C THR A 422 -8.626 -2.433 -8.771 1.00 0.00 C ATOM 615 O THR A 422 -9.209 -3.260 -9.471 1.00 0.00 O ATOM 616 CB THR A 422 -10.029 -0.570 -9.769 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.227 0.854 -9.718 1.00 0.00 O ATOM 618 CG2 THR A 422 -11.387 -1.261 -9.774 1.00 0.00 C ATOM 0 H THR A 422 -8.100 0.314 -7.360 1.00 0.00 H new ATOM 0 HA THR A 422 -9.830 -1.030 -7.683 1.00 0.00 H new ATOM 0 HB THR A 422 -9.495 -0.845 -10.678 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.764 1.137 -10.487 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.962 -0.926 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.246 -2.340 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.926 -1.011 -8.860 1.00 0.00 H new ATOM 626 N LYS A 423 -7.542 -2.734 -8.070 1.00 0.00 N ATOM 627 CA LYS A 423 -6.979 -4.071 -8.093 1.00 0.00 C ATOM 628 C LYS A 423 -7.473 -4.851 -6.884 1.00 0.00 C ATOM 629 O LYS A 423 -8.183 -5.846 -7.019 1.00 0.00 O ATOM 630 CB LYS A 423 -5.449 -4.015 -8.105 1.00 0.00 C ATOM 631 CG LYS A 423 -4.791 -5.384 -8.156 1.00 0.00 C ATOM 632 CD LYS A 423 -5.135 -6.118 -9.439 1.00 0.00 C ATOM 633 CE LYS A 423 -4.668 -7.563 -9.392 1.00 0.00 C ATOM 634 NZ LYS A 423 -3.189 -7.681 -9.284 1.00 0.00 N ATOM 0 H LYS A 423 -7.038 -2.071 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.304 -4.576 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.122 -3.431 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.106 -3.489 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.710 -5.272 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.113 -5.976 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.213 -6.087 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -4.672 -5.611 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.132 -8.064 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -5.006 -8.080 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.920 -8.685 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -2.742 -7.198 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.870 -7.242 -8.397 1.00 0.00 H new ATOM 648 N ALA A 424 -7.210 -4.309 -5.704 1.00 0.00 N ATOM 649 CA ALA A 424 -7.721 -4.888 -4.469 1.00 0.00 C ATOM 650 C ALA A 424 -9.026 -4.211 -4.064 1.00 0.00 C ATOM 651 O ALA A 424 -9.253 -3.923 -2.888 1.00 0.00 O ATOM 652 CB ALA A 424 -6.687 -4.765 -3.358 1.00 0.00 C ATOM 0 H ALA A 424 -6.646 -3.469 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.921 -5.946 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -7.084 -5.202 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -5.778 -5.292 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -6.458 -3.713 -3.189 1.00 0.00 H new ATOM 658 N SER A 425 -9.874 -3.949 -5.051 1.00 0.00 N ATOM 659 CA SER A 425 -11.156 -3.304 -4.818 1.00 0.00 C ATOM 660 C SER A 425 -12.077 -4.214 -4.015 1.00 0.00 C ATOM 661 O SER A 425 -12.630 -3.809 -2.991 1.00 0.00 O ATOM 662 CB SER A 425 -11.786 -2.947 -6.161 1.00 0.00 C ATOM 663 OG SER A 425 -11.435 -3.910 -7.142 1.00 0.00 O ATOM 0 H SER A 425 -9.692 -4.177 -6.029 1.00 0.00 H new ATOM 0 HA SER A 425 -11.003 -2.393 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 425 -12.870 -2.899 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 425 -11.451 -1.959 -6.476 1.00 0.00 H new ATOM 0 HG SER A 425 -11.847 -3.670 -7.998 1.00 0.00 H new ATOM 669 N LYS A 426 -12.154 -5.470 -4.435 1.00 0.00 N ATOM 670 CA LYS A 426 -12.940 -6.471 -3.732 1.00 0.00 C ATOM 671 C LYS A 426 -12.534 -7.861 -4.202 1.00 0.00 C ATOM 672 O LYS A 426 -12.170 -8.719 -3.396 1.00 0.00 O ATOM 673 CB LYS A 426 -14.434 -6.261 -3.988 1.00 0.00 C ATOM 674 CG LYS A 426 -15.332 -6.980 -2.990 1.00 0.00 C ATOM 675 CD LYS A 426 -16.782 -7.069 -3.462 1.00 0.00 C ATOM 676 CE LYS A 426 -17.380 -5.705 -3.781 1.00 0.00 C ATOM 677 NZ LYS A 426 -17.018 -5.239 -5.148 1.00 0.00 N ATOM 0 H LYS A 426 -11.677 -5.820 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 426 -12.752 -6.374 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -14.653 -5.194 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -14.674 -6.606 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -14.947 -7.985 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -15.297 -6.458 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -16.833 -7.700 -4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -17.382 -7.553 -2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -18.465 -5.756 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -17.033 -4.977 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -16.317 -4.473 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -16.614 -6.030 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -17.869 -4.887 -5.632 1.00 0.00 H new ATOM 691 N SER A 427 -12.536 -8.052 -5.514 1.00 0.00 N ATOM 692 CA SER A 427 -12.144 -9.319 -6.108 1.00 0.00 C ATOM 693 C SER A 427 -11.792 -9.132 -7.580 1.00 0.00 C ATOM 694 O SER A 427 -10.865 -9.814 -8.070 1.00 0.00 O ATOM 695 CB SER A 427 -13.270 -10.349 -5.946 1.00 0.00 C ATOM 696 OG SER A 427 -14.550 -9.757 -6.136 1.00 0.00 O ATOM 697 OXT SER A 427 -12.429 -8.284 -8.240 1.00 0.00 O ATOM 0 H SER A 427 -12.807 -7.338 -6.190 1.00 0.00 H new ATOM 0 HA SER A 427 -11.259 -9.689 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 427 -13.131 -11.157 -6.664 1.00 0.00 H new ATOM 0 HB3 SER A 427 -13.218 -10.794 -4.952 1.00 0.00 H new ATOM 0 HG SER A 427 -15.245 -10.439 -6.028 1.00 0.00 H new TER 703 SER A 427