USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 305 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 405 SER OG : rot -170:sc=0.000328 USER MOD Set 1.2: A 420 ASN : amide:sc= -3.75 K(o=-3.7,f=-5.5!) USER MOD Single : A 384 SER OG : rot 36:sc= 0.0219 USER MOD Single : A 390 ASN : amide:sc= -2.18! K(o=-2.2!,f=-0.29) 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+ -164:sc= -0.0133 (180deg=-0.226) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 402 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0596) USER MOD Single : A 407 HIS : no HE2:sc= 0.572 K(o=0.57,f=-3.3!) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 LYS NZ :NH3+ 164:sc= -0.86 (180deg=-1.6) USER MOD Single : A 415 LYS NZ :NH3+ -168:sc= -0.0404 (180deg=-0.224) USER MOD Single : A 416 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.4) USER MOD Single : A 418 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.31) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 18:sc= 0.872 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -6.387 11.527 1.648 1.00 0.00 N ATOM 33 CA SER A 384 -6.441 10.842 0.367 1.00 0.00 C ATOM 34 C SER A 384 -5.976 9.404 0.532 1.00 0.00 C ATOM 35 O SER A 384 -5.000 9.146 1.236 1.00 0.00 O ATOM 36 CB SER A 384 -5.554 11.550 -0.663 1.00 0.00 C ATOM 37 OG SER A 384 -6.011 12.865 -0.930 1.00 0.00 O ATOM 0 HA SER A 384 -7.471 10.856 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.529 11.588 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.540 10.974 -1.588 1.00 0.00 H new ATOM 0 HG SER A 384 -6.369 13.260 -0.108 1.00 0.00 H new ATOM 43 N PRO A 385 -6.664 8.450 -0.117 1.00 0.00 N ATOM 44 CA PRO A 385 -6.325 7.025 -0.039 1.00 0.00 C ATOM 45 C PRO A 385 -4.862 6.755 -0.380 1.00 0.00 C ATOM 46 O PRO A 385 -4.245 5.842 0.175 1.00 0.00 O ATOM 47 CB PRO A 385 -7.252 6.359 -1.065 1.00 0.00 C ATOM 48 CG PRO A 385 -7.827 7.475 -1.871 1.00 0.00 C ATOM 49 CD PRO A 385 -7.834 8.678 -0.974 1.00 0.00 C ATOM 0 HA PRO A 385 -6.457 6.639 0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.701 5.663 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -8.038 5.788 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -7.229 7.659 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.836 7.234 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.746 9.605 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.754 8.745 -0.393 1.00 0.00 H new ATOM 57 N GLU A 386 -4.305 7.574 -1.271 1.00 0.00 N ATOM 58 CA GLU A 386 -2.900 7.470 -1.643 1.00 0.00 C ATOM 59 C GLU A 386 -2.016 7.663 -0.417 1.00 0.00 C ATOM 60 O GLU A 386 -1.245 6.777 -0.046 1.00 0.00 O ATOM 61 CB GLU A 386 -2.556 8.524 -2.696 1.00 0.00 C ATOM 62 CG GLU A 386 -1.180 8.348 -3.312 1.00 0.00 C ATOM 63 CD GLU A 386 -1.075 7.087 -4.142 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.830 6.963 -5.131 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.235 6.220 -3.815 1.00 0.00 O ATOM 0 H GLU A 386 -4.811 8.320 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.722 6.478 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -3.305 8.492 -3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.616 9.512 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.952 9.211 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.431 8.322 -2.520 1.00 0.00 H new ATOM 72 N ALA A 387 -2.207 8.791 0.260 1.00 0.00 N ATOM 73 CA ALA A 387 -1.477 9.098 1.481 1.00 0.00 C ATOM 74 C ALA A 387 -1.805 8.096 2.584 1.00 0.00 C ATOM 75 O ALA A 387 -0.928 7.693 3.349 1.00 0.00 O ATOM 76 CB ALA A 387 -1.793 10.513 1.937 1.00 0.00 C ATOM 0 H ALA A 387 -2.869 9.514 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.410 9.025 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.242 10.732 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.502 11.219 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -2.862 10.604 2.128 1.00 0.00 H new ATOM 82 N GLU A 388 -3.071 7.692 2.650 1.00 0.00 N ATOM 83 CA GLU A 388 -3.525 6.725 3.643 1.00 0.00 C ATOM 84 C GLU A 388 -2.797 5.392 3.491 1.00 0.00 C ATOM 85 O GLU A 388 -2.516 4.715 4.475 1.00 0.00 O ATOM 86 CB GLU A 388 -5.038 6.522 3.545 1.00 0.00 C ATOM 87 CG GLU A 388 -5.825 7.773 3.893 1.00 0.00 C ATOM 88 CD GLU A 388 -7.325 7.595 3.763 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.771 6.514 3.329 1.00 0.00 O ATOM 90 OE2 GLU A 388 -8.066 8.542 4.102 1.00 0.00 O ATOM 0 H GLU A 388 -3.804 8.023 2.023 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.290 7.126 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.293 6.208 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.335 5.714 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.589 8.070 4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.505 8.587 3.243 1.00 0.00 H new ATOM 97 N CYS A 389 -2.449 5.040 2.266 1.00 0.00 N ATOM 98 CA CYS A 389 -1.664 3.841 2.030 1.00 0.00 C ATOM 99 C CYS A 389 -0.174 4.143 2.219 1.00 0.00 C ATOM 100 O CYS A 389 0.554 3.362 2.816 1.00 0.00 O ATOM 101 CB CYS A 389 -1.933 3.297 0.627 1.00 0.00 C ATOM 102 SG CYS A 389 -1.053 1.751 0.234 1.00 0.00 S ATOM 0 H CYS A 389 -2.695 5.562 1.425 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.957 3.079 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -3.004 3.129 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.652 4.056 -0.103 1.00 0.00 H new ATOM 107 N ASN A 390 0.257 5.314 1.751 1.00 0.00 N ATOM 108 CA ASN A 390 1.664 5.727 1.850 1.00 0.00 C ATOM 109 C ASN A 390 2.175 5.711 3.288 1.00 0.00 C ATOM 110 O ASN A 390 3.353 5.441 3.527 1.00 0.00 O ATOM 111 CB ASN A 390 1.866 7.128 1.258 1.00 0.00 C ATOM 112 CG ASN A 390 1.889 7.145 -0.260 1.00 0.00 C ATOM 113 OD1 ASN A 390 1.889 8.211 -0.877 1.00 0.00 O ATOM 114 ND2 ASN A 390 1.936 5.975 -0.877 1.00 0.00 N ATOM 0 H ASN A 390 -0.348 5.999 1.297 1.00 0.00 H new ATOM 0 HA ASN A 390 2.239 4.999 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.067 7.781 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.803 7.541 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.974 5.937 -1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 390 1.934 5.112 -0.334 1.00 0.00 H new ATOM 121 N LYS A 391 1.316 6.087 4.229 1.00 0.00 N ATOM 122 CA LYS A 391 1.708 6.196 5.633 1.00 0.00 C ATOM 123 C LYS A 391 2.174 4.853 6.201 1.00 0.00 C ATOM 124 O LYS A 391 2.974 4.818 7.134 1.00 0.00 O ATOM 125 CB LYS A 391 0.552 6.752 6.477 1.00 0.00 C ATOM 126 CG LYS A 391 -0.690 5.878 6.469 1.00 0.00 C ATOM 127 CD LYS A 391 -1.847 6.514 7.228 1.00 0.00 C ATOM 128 CE LYS A 391 -1.574 6.585 8.721 1.00 0.00 C ATOM 129 NZ LYS A 391 -2.738 7.123 9.473 1.00 0.00 N ATOM 0 H LYS A 391 0.341 6.322 4.046 1.00 0.00 H new ATOM 0 HA LYS A 391 2.549 6.888 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 391 0.892 6.874 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.289 7.743 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.993 5.690 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.454 4.911 6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -2.025 7.518 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -2.756 5.939 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.330 5.590 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -0.703 7.215 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.511 7.155 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -2.955 8.083 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.563 6.508 9.322 1.00 0.00 H new ATOM 143 N ILE A 392 1.647 3.755 5.663 1.00 0.00 N ATOM 144 CA ILE A 392 1.989 2.424 6.154 1.00 0.00 C ATOM 145 C ILE A 392 3.458 2.107 5.885 1.00 0.00 C ATOM 146 O ILE A 392 3.958 2.315 4.778 1.00 0.00 O ATOM 147 CB ILE A 392 1.119 1.328 5.504 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.358 1.735 5.490 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.299 0.006 6.237 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.941 1.978 6.863 1.00 0.00 C ATOM 0 H ILE A 392 0.983 3.762 4.889 1.00 0.00 H new ATOM 0 HA ILE A 392 1.800 2.431 7.228 1.00 0.00 H new ATOM 0 HB ILE A 392 1.445 1.204 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.469 2.641 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.935 0.954 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.679 -0.758 5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.345 -0.296 6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.002 0.124 7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.989 2.262 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.864 1.068 7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 392 -0.391 2.780 7.355 1.00 0.00 H new ATOM 162 N THR A 393 4.145 1.612 6.899 1.00 0.00 N ATOM 163 CA THR A 393 5.553 1.274 6.769 1.00 0.00 C ATOM 164 C THR A 393 5.760 -0.238 6.839 1.00 0.00 C ATOM 165 O THR A 393 6.683 -0.777 6.227 1.00 0.00 O ATOM 166 CB THR A 393 6.405 1.986 7.850 1.00 0.00 C ATOM 167 OG1 THR A 393 7.781 1.602 7.738 1.00 0.00 O ATOM 168 CG2 THR A 393 5.899 1.676 9.253 1.00 0.00 C ATOM 0 H THR A 393 3.751 1.435 7.823 1.00 0.00 H new ATOM 0 HA THR A 393 5.885 1.623 5.792 1.00 0.00 H new ATOM 0 HB THR A 393 6.315 3.059 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.306 2.061 8.426 1.00 0.00 H new ATOM 0 HG21 THR A 393 6.520 2.192 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 393 4.867 2.013 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.948 0.601 9.428 1.00 0.00 H new ATOM 176 N GLU A 394 4.903 -0.917 7.593 1.00 0.00 N ATOM 177 CA GLU A 394 5.010 -2.358 7.752 1.00 0.00 C ATOM 178 C GLU A 394 4.308 -3.094 6.611 1.00 0.00 C ATOM 179 O GLU A 394 3.129 -2.851 6.341 1.00 0.00 O ATOM 180 CB GLU A 394 4.406 -2.788 9.090 1.00 0.00 C ATOM 181 CG GLU A 394 5.061 -2.137 10.300 1.00 0.00 C ATOM 182 CD GLU A 394 6.544 -2.439 10.409 1.00 0.00 C ATOM 183 OE1 GLU A 394 6.913 -3.630 10.495 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.350 -1.483 10.421 1.00 0.00 O ATOM 0 H GLU A 394 4.128 -0.491 8.102 1.00 0.00 H new ATOM 0 HA GLU A 394 6.068 -2.619 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 394 3.343 -2.548 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.488 -3.871 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 394 4.919 -1.058 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 394 4.559 -2.479 11.205 1.00 0.00 H new ATOM 191 N GLU A 395 5.023 -4.027 5.989 1.00 0.00 N ATOM 192 CA GLU A 395 4.470 -4.856 4.923 1.00 0.00 C ATOM 193 C GLU A 395 3.190 -5.573 5.368 1.00 0.00 C ATOM 194 O GLU A 395 2.181 -5.487 4.677 1.00 0.00 O ATOM 195 CB GLU A 395 5.503 -5.883 4.441 1.00 0.00 C ATOM 196 CG GLU A 395 5.011 -6.751 3.293 1.00 0.00 C ATOM 197 CD GLU A 395 5.142 -8.235 3.568 1.00 0.00 C ATOM 198 OE1 GLU A 395 6.247 -8.683 3.935 1.00 0.00 O ATOM 199 OE2 GLU A 395 4.146 -8.966 3.392 1.00 0.00 O ATOM 0 H GLU A 395 5.998 -4.229 6.209 1.00 0.00 H new ATOM 0 HA GLU A 395 4.216 -4.191 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.405 -5.358 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.782 -6.525 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 395 3.966 -6.516 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.573 -6.504 2.392 1.00 0.00 H new ATOM 206 N PRO A 396 3.197 -6.301 6.516 1.00 0.00 N ATOM 207 CA PRO A 396 2.009 -7.028 6.988 1.00 0.00 C ATOM 208 C PRO A 396 0.777 -6.132 7.085 1.00 0.00 C ATOM 209 O PRO A 396 -0.311 -6.510 6.654 1.00 0.00 O ATOM 210 CB PRO A 396 2.418 -7.522 8.378 1.00 0.00 C ATOM 211 CG PRO A 396 3.900 -7.620 8.321 1.00 0.00 C ATOM 212 CD PRO A 396 4.350 -6.503 7.423 1.00 0.00 C ATOM 0 HA PRO A 396 1.727 -7.827 6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.096 -6.829 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.965 -8.487 8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.337 -7.523 9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.213 -8.587 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.578 -5.600 7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.252 -6.770 6.872 1.00 0.00 H new ATOM 220 N LYS A 397 0.966 -4.932 7.620 1.00 0.00 N ATOM 221 CA LYS A 397 -0.122 -3.972 7.755 1.00 0.00 C ATOM 222 C LYS A 397 -0.586 -3.471 6.393 1.00 0.00 C ATOM 223 O LYS A 397 -1.786 -3.390 6.132 1.00 0.00 O ATOM 224 CB LYS A 397 0.309 -2.799 8.633 1.00 0.00 C ATOM 225 CG LYS A 397 0.494 -3.181 10.092 1.00 0.00 C ATOM 226 CD LYS A 397 0.912 -1.990 10.937 1.00 0.00 C ATOM 227 CE LYS A 397 0.872 -2.315 12.421 1.00 0.00 C ATOM 228 NZ LYS A 397 -0.518 -2.526 12.909 1.00 0.00 N ATOM 0 H LYS A 397 1.865 -4.600 7.968 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.961 -4.479 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.244 -2.391 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -0.437 -2.007 8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -0.437 -3.594 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 397 1.248 -3.965 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 397 1.920 -1.681 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 397 0.252 -1.147 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 397 1.463 -3.211 12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 397 1.334 -1.503 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -0.533 -2.475 13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -1.139 -1.789 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -0.855 -3.461 12.603 1.00 0.00 H new ATOM 242 N CYS A 398 0.370 -3.168 5.525 1.00 0.00 N ATOM 243 CA CYS A 398 0.071 -2.708 4.172 1.00 0.00 C ATOM 244 C CYS A 398 -0.641 -3.810 3.392 1.00 0.00 C ATOM 245 O CYS A 398 -1.617 -3.565 2.686 1.00 0.00 O ATOM 246 CB CYS A 398 1.370 -2.298 3.466 1.00 0.00 C ATOM 247 SG CYS A 398 1.142 -1.422 1.885 1.00 0.00 S ATOM 0 H CYS A 398 1.366 -3.233 5.734 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.588 -1.841 4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.946 -1.661 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.966 -3.193 3.286 1.00 0.00 H new ATOM 252 N SER A 399 -0.178 -5.038 3.592 1.00 0.00 N ATOM 253 CA SER A 399 -0.762 -6.212 2.962 1.00 0.00 C ATOM 254 C SER A 399 -2.177 -6.464 3.491 1.00 0.00 C ATOM 255 O SER A 399 -3.041 -6.970 2.773 1.00 0.00 O ATOM 256 CB SER A 399 0.140 -7.423 3.227 1.00 0.00 C ATOM 257 OG SER A 399 -0.198 -8.527 2.401 1.00 0.00 O ATOM 0 H SER A 399 0.616 -5.246 4.198 1.00 0.00 H new ATOM 0 HA SER A 399 -0.836 -6.045 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 399 1.180 -7.146 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.058 -7.715 4.274 1.00 0.00 H new ATOM 0 HG SER A 399 0.400 -9.278 2.598 1.00 0.00 H new ATOM 263 N GLU A 400 -2.398 -6.134 4.760 1.00 0.00 N ATOM 264 CA GLU A 400 -3.698 -6.324 5.391 1.00 0.00 C ATOM 265 C GLU A 400 -4.742 -5.389 4.785 1.00 0.00 C ATOM 266 O GLU A 400 -5.926 -5.719 4.720 1.00 0.00 O ATOM 267 CB GLU A 400 -3.600 -6.101 6.903 1.00 0.00 C ATOM 268 CG GLU A 400 -4.941 -6.164 7.613 1.00 0.00 C ATOM 269 CD GLU A 400 -4.818 -6.079 9.117 1.00 0.00 C ATOM 270 OE1 GLU A 400 -3.685 -6.176 9.636 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.862 -5.953 9.791 1.00 0.00 O ATOM 0 H GLU A 400 -1.689 -5.732 5.373 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.013 -7.352 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.936 -6.852 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.144 -5.129 7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.572 -5.349 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.443 -7.094 7.347 1.00 0.00 H new ATOM 278 N GLU A 401 -4.297 -4.225 4.338 1.00 0.00 N ATOM 279 CA GLU A 401 -5.184 -3.255 3.713 1.00 0.00 C ATOM 280 C GLU A 401 -5.841 -3.844 2.468 1.00 0.00 C ATOM 281 O GLU A 401 -5.231 -4.645 1.761 1.00 0.00 O ATOM 282 CB GLU A 401 -4.409 -1.993 3.356 1.00 0.00 C ATOM 283 CG GLU A 401 -3.847 -1.264 4.566 1.00 0.00 C ATOM 284 CD GLU A 401 -4.935 -0.787 5.499 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.794 0.000 5.058 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.949 -1.202 6.678 1.00 0.00 O ATOM 0 H GLU A 401 -3.323 -3.928 4.397 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.970 -2.999 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.589 -2.256 2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -5.064 -1.317 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -3.172 -1.927 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -3.256 -0.411 4.232 1.00 0.00 H new ATOM 293 N LYS A 402 -7.117 -3.534 2.271 1.00 0.00 N ATOM 294 CA LYS A 402 -7.881 -4.114 1.170 1.00 0.00 C ATOM 295 C LYS A 402 -7.422 -3.554 -0.176 1.00 0.00 C ATOM 296 O LYS A 402 -6.879 -4.284 -1.006 1.00 0.00 O ATOM 297 CB LYS A 402 -9.389 -3.875 1.354 1.00 0.00 C ATOM 298 CG LYS A 402 -10.013 -4.672 2.496 1.00 0.00 C ATOM 299 CD LYS A 402 -9.795 -4.009 3.849 1.00 0.00 C ATOM 300 CE LYS A 402 -10.748 -2.841 4.071 1.00 0.00 C ATOM 301 NZ LYS A 402 -12.137 -3.297 4.348 1.00 0.00 N ATOM 0 H LYS A 402 -7.644 -2.886 2.857 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.697 -5.188 1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -9.558 -2.813 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.902 -4.128 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -11.082 -4.784 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -9.586 -5.675 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -9.933 -4.746 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -8.766 -3.656 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.392 -2.237 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -10.746 -2.200 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.708 -2.492 4.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -12.554 -3.688 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.121 -4.031 5.085 1.00 0.00 H new ATOM 315 N ILE A 403 -7.638 -2.262 -0.385 1.00 0.00 N ATOM 316 CA ILE A 403 -7.237 -1.616 -1.629 1.00 0.00 C ATOM 317 C ILE A 403 -5.739 -1.346 -1.624 1.00 0.00 C ATOM 318 O ILE A 403 -5.057 -1.731 -2.555 1.00 0.00 O ATOM 319 CB ILE A 403 -8.066 -0.318 -1.894 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.176 -0.025 -3.402 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.504 0.892 -1.158 1.00 0.00 C ATOM 322 CD1 ILE A 403 -6.861 0.241 -4.103 1.00 0.00 C ATOM 0 H ILE A 403 -8.087 -1.642 0.288 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.452 -2.295 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.065 -0.504 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -8.663 -0.872 -3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.826 0.839 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.116 1.767 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.512 0.701 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.481 1.074 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -7.045 0.436 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -6.377 1.108 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -6.212 -0.629 -4.002 1.00 0.00 H new ATOM 334 N CYS A 404 -5.229 -0.801 -0.532 1.00 0.00 N ATOM 335 CA CYS A 404 -3.804 -0.529 -0.392 1.00 0.00 C ATOM 336 C CYS A 404 -2.999 -1.826 -0.441 1.00 0.00 C ATOM 337 O CYS A 404 -3.503 -2.891 -0.084 1.00 0.00 O ATOM 338 CB CYS A 404 -3.576 0.242 0.906 1.00 0.00 C ATOM 339 SG CYS A 404 -1.856 0.361 1.467 1.00 0.00 S ATOM 0 H CYS A 404 -5.786 -0.535 0.280 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.457 0.083 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.967 1.252 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -4.163 -0.230 1.694 1.00 0.00 H new ATOM 344 N SER A 405 -1.843 -1.758 -1.086 1.00 0.00 N ATOM 345 CA SER A 405 -1.071 -2.953 -1.408 1.00 0.00 C ATOM 346 C SER A 405 0.432 -2.687 -1.331 1.00 0.00 C ATOM 347 O SER A 405 0.899 -1.592 -1.653 1.00 0.00 O ATOM 348 CB SER A 405 -1.463 -3.437 -2.808 1.00 0.00 C ATOM 349 OG SER A 405 -2.763 -4.003 -2.795 1.00 0.00 O ATOM 0 H SER A 405 -1.417 -0.885 -1.398 1.00 0.00 H new ATOM 0 HA SER A 405 -1.298 -3.727 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.431 -2.603 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.742 -4.176 -3.158 1.00 0.00 H new ATOM 0 HG SER A 405 -2.935 -4.446 -3.652 1.00 0.00 H new ATOM 355 N TRP A 406 1.177 -3.672 -0.829 1.00 0.00 N ATOM 356 CA TRP A 406 2.612 -3.523 -0.635 1.00 0.00 C ATOM 357 C TRP A 406 3.381 -3.800 -1.921 1.00 0.00 C ATOM 358 O TRP A 406 3.189 -4.821 -2.583 1.00 0.00 O ATOM 359 CB TRP A 406 3.111 -4.452 0.472 1.00 0.00 C ATOM 360 CG TRP A 406 4.544 -4.210 0.852 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.624 -4.971 0.506 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.051 -3.148 1.671 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.769 -4.438 1.043 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.445 -3.323 1.767 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.466 -2.065 2.328 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.255 -2.455 2.495 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.271 -1.206 3.049 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.650 -1.405 3.128 1.00 0.00 C ATOM 0 H TRP A 406 0.807 -4.581 -0.550 1.00 0.00 H new ATOM 0 HA TRP A 406 2.791 -2.489 -0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.483 -4.325 1.354 1.00 0.00 H new ATOM 0 HB3 TRP A 406 2.999 -5.486 0.147 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.583 -5.863 -0.102 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.710 -4.813 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.400 -1.901 2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.323 -2.606 2.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.826 -0.366 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 406 7.252 -0.715 3.701 1.00 0.00 H new ATOM 379 N HIS A 407 4.269 -2.886 -2.237 1.00 0.00 N ATOM 380 CA HIS A 407 5.128 -2.969 -3.403 1.00 0.00 C ATOM 381 C HIS A 407 6.484 -3.529 -2.987 1.00 0.00 C ATOM 382 O HIS A 407 7.310 -2.804 -2.434 1.00 0.00 O ATOM 383 CB HIS A 407 5.291 -1.558 -3.960 1.00 0.00 C ATOM 384 CG HIS A 407 5.474 -1.450 -5.430 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.576 -1.925 -6.094 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.703 -0.849 -6.361 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.481 -1.620 -7.369 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.351 -0.971 -7.560 1.00 0.00 N ATOM 0 H HIS A 407 4.420 -2.045 -1.681 1.00 0.00 H new ATOM 0 HA HIS A 407 4.698 -3.624 -4.161 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.413 -0.976 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.149 -1.094 -3.473 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.348 -2.435 -5.666 1.00 0.00 H new ATOM 0 HD2 HIS A 407 3.753 -0.363 -6.191 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.207 -1.861 -8.131 1.00 0.00 H new ATOM 397 N LYS A 408 6.657 -4.834 -3.122 1.00 0.00 N ATOM 398 CA LYS A 408 7.867 -5.495 -2.646 1.00 0.00 C ATOM 399 C LYS A 408 9.087 -5.091 -3.469 1.00 0.00 C ATOM 400 O LYS A 408 10.141 -4.786 -2.913 1.00 0.00 O ATOM 401 CB LYS A 408 7.689 -7.015 -2.669 1.00 0.00 C ATOM 402 CG LYS A 408 6.650 -7.518 -1.678 1.00 0.00 C ATOM 403 CD LYS A 408 6.429 -9.017 -1.797 1.00 0.00 C ATOM 404 CE LYS A 408 5.453 -9.517 -0.746 1.00 0.00 C ATOM 405 NZ LYS A 408 5.204 -10.979 -0.863 1.00 0.00 N ATOM 0 H LYS A 408 5.977 -5.458 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 408 8.038 -5.174 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.401 -7.324 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.646 -7.489 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 408 6.970 -7.278 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.707 -6.998 -1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 408 6.049 -9.253 -2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 408 7.381 -9.537 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 408 5.845 -9.295 0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 408 4.509 -8.980 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.533 -11.277 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.806 -11.189 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 6.099 -11.494 -0.744 1.00 0.00 H new ATOM 419 N GLU A 409 8.939 -5.063 -4.784 1.00 0.00 N ATOM 420 CA GLU A 409 10.033 -4.654 -5.654 1.00 0.00 C ATOM 421 C GLU A 409 10.104 -3.136 -5.727 1.00 0.00 C ATOM 422 O GLU A 409 9.148 -2.486 -6.139 1.00 0.00 O ATOM 423 CB GLU A 409 9.863 -5.247 -7.057 1.00 0.00 C ATOM 424 CG GLU A 409 10.932 -4.803 -8.047 1.00 0.00 C ATOM 425 CD GLU A 409 12.333 -5.211 -7.635 1.00 0.00 C ATOM 426 OE1 GLU A 409 12.481 -5.999 -6.679 1.00 0.00 O ATOM 427 OE2 GLU A 409 13.300 -4.758 -8.281 1.00 0.00 O ATOM 0 H GLU A 409 8.079 -5.316 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 409 10.966 -5.032 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 409 9.877 -6.335 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 409 8.884 -4.965 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.710 -5.227 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.892 -3.719 -8.153 1.00 0.00 H new ATOM 434 N VAL A 410 11.236 -2.577 -5.330 1.00 0.00 N ATOM 435 CA VAL A 410 11.434 -1.134 -5.353 1.00 0.00 C ATOM 436 C VAL A 410 12.890 -0.800 -5.640 1.00 0.00 C ATOM 437 O VAL A 410 13.794 -1.556 -5.273 1.00 0.00 O ATOM 438 CB VAL A 410 11.013 -0.456 -4.028 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.498 -0.392 -3.899 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.617 -1.180 -2.835 1.00 0.00 C ATOM 0 H VAL A 410 12.038 -3.104 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 410 10.796 -0.747 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 410 11.395 0.565 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.233 0.090 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 410 9.086 0.182 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.088 -1.402 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.307 -0.685 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.273 -2.214 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.704 -1.160 -2.910 1.00 0.00 H new ATOM 450 N LYS A 411 13.102 0.270 -6.389 1.00 0.00 N ATOM 451 CA LYS A 411 14.432 0.658 -6.804 1.00 0.00 C ATOM 452 C LYS A 411 14.536 2.174 -6.899 1.00 0.00 C ATOM 453 O LYS A 411 14.805 2.734 -7.962 1.00 0.00 O ATOM 454 CB LYS A 411 14.745 0.004 -8.138 1.00 0.00 C ATOM 455 CG LYS A 411 16.200 0.117 -8.567 1.00 0.00 C ATOM 456 CD LYS A 411 16.489 -0.705 -9.813 1.00 0.00 C ATOM 457 CE LYS A 411 16.901 -2.134 -9.476 1.00 0.00 C ATOM 458 NZ LYS A 411 15.811 -2.917 -8.833 1.00 0.00 N ATOM 0 H LYS A 411 12.361 0.887 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 411 15.160 0.323 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 411 14.476 -1.051 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 411 14.116 0.454 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 411 16.442 1.163 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 411 16.845 -0.217 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 411 15.603 -0.724 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 411 17.282 -0.226 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 411 17.215 -2.641 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 411 17.765 -2.110 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 16.042 -3.930 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 15.712 -2.623 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.917 -2.745 -9.336 1.00 0.00 H new ATOM 472 N ALA A 412 14.331 2.816 -5.757 1.00 0.00 N ATOM 473 CA ALA A 412 14.432 4.265 -5.622 1.00 0.00 C ATOM 474 C ALA A 412 13.624 5.004 -6.688 1.00 0.00 C ATOM 475 O ALA A 412 14.145 5.875 -7.386 1.00 0.00 O ATOM 476 CB ALA A 412 15.889 4.683 -5.651 1.00 0.00 C ATOM 0 H ALA A 412 14.087 2.341 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 412 14.001 4.543 -4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 412 15.959 5.766 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.421 4.207 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.336 4.377 -6.597 1.00 0.00 H new ATOM 482 N GLY A 413 12.344 4.673 -6.788 1.00 0.00 N ATOM 483 CA GLY A 413 11.477 5.331 -7.746 1.00 0.00 C ATOM 484 C GLY A 413 10.012 5.140 -7.413 1.00 0.00 C ATOM 485 O GLY A 413 9.249 6.104 -7.362 1.00 0.00 O ATOM 0 H GLY A 413 11.889 3.958 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 413 11.707 6.396 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 413 11.676 4.939 -8.743 1.00 0.00 H new ATOM 489 N GLU A 414 9.633 3.906 -7.119 1.00 0.00 N ATOM 490 CA GLU A 414 8.264 3.601 -6.726 1.00 0.00 C ATOM 491 C GLU A 414 8.093 3.703 -5.217 1.00 0.00 C ATOM 492 O GLU A 414 9.072 3.730 -4.464 1.00 0.00 O ATOM 493 CB GLU A 414 7.872 2.197 -7.185 1.00 0.00 C ATOM 494 CG GLU A 414 7.843 2.027 -8.691 1.00 0.00 C ATOM 495 CD GLU A 414 6.781 2.886 -9.340 1.00 0.00 C ATOM 496 OE1 GLU A 414 5.592 2.732 -8.990 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.123 3.716 -10.203 1.00 0.00 O ATOM 0 H GLU A 414 10.254 3.098 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 414 7.614 4.332 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 414 8.574 1.478 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 414 6.888 1.956 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 414 8.819 2.284 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.660 0.980 -8.934 1.00 0.00 H new ATOM 504 N LYS A 415 6.850 3.618 -4.786 1.00 0.00 N ATOM 505 CA LYS A 415 6.526 3.555 -3.373 1.00 0.00 C ATOM 506 C LYS A 415 6.261 2.117 -2.982 1.00 0.00 C ATOM 507 O LYS A 415 5.684 1.368 -3.763 1.00 0.00 O ATOM 508 CB LYS A 415 5.292 4.406 -3.061 1.00 0.00 C ATOM 509 CG LYS A 415 5.568 5.895 -3.008 1.00 0.00 C ATOM 510 CD LYS A 415 6.554 6.225 -1.905 1.00 0.00 C ATOM 511 CE LYS A 415 6.795 7.722 -1.801 1.00 0.00 C ATOM 512 NZ LYS A 415 7.308 8.295 -3.073 1.00 0.00 N ATOM 0 H LYS A 415 6.038 3.591 -5.403 1.00 0.00 H new ATOM 0 HA LYS A 415 7.369 3.945 -2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.531 4.215 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.877 4.089 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 415 5.964 6.230 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.636 6.436 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 415 6.176 5.850 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.499 5.716 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 415 5.865 8.220 -1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.509 7.919 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 7.649 9.263 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 8.091 7.709 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.544 8.315 -3.778 1.00 0.00 H new ATOM 526 N ASN A 416 6.662 1.731 -1.782 1.00 0.00 N ATOM 527 CA ASN A 416 6.383 0.384 -1.312 1.00 0.00 C ATOM 528 C ASN A 416 4.908 0.264 -0.950 1.00 0.00 C ATOM 529 O ASN A 416 4.132 -0.361 -1.658 1.00 0.00 O ATOM 530 CB ASN A 416 7.238 0.003 -0.097 1.00 0.00 C ATOM 531 CG ASN A 416 8.699 -0.212 -0.432 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.434 0.737 -0.697 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.124 -1.467 -0.440 1.00 0.00 N ATOM 0 H ASN A 416 7.173 2.320 -1.125 1.00 0.00 H new ATOM 0 HA ASN A 416 6.633 -0.302 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.157 0.788 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.837 -0.908 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.095 -1.675 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.480 -2.225 -0.214 1.00 0.00 H new ATOM 540 N CYS A 417 4.477 1.003 0.046 1.00 0.00 N ATOM 541 CA CYS A 417 3.059 1.052 0.344 1.00 0.00 C ATOM 542 C CYS A 417 2.454 2.242 -0.389 1.00 0.00 C ATOM 543 O CYS A 417 2.878 3.384 -0.186 1.00 0.00 O ATOM 544 CB CYS A 417 2.830 1.135 1.856 1.00 0.00 C ATOM 545 SG CYS A 417 1.196 0.542 2.401 1.00 0.00 S ATOM 0 H CYS A 417 5.070 1.568 0.654 1.00 0.00 H new ATOM 0 HA CYS A 417 2.569 0.140 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.601 0.553 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.952 2.170 2.174 1.00 0.00 H new ATOM 550 N GLN A 418 1.556 1.958 -1.324 1.00 0.00 N ATOM 551 CA GLN A 418 0.995 2.987 -2.190 1.00 0.00 C ATOM 552 C GLN A 418 -0.392 2.599 -2.680 1.00 0.00 C ATOM 553 O GLN A 418 -0.703 1.416 -2.819 1.00 0.00 O ATOM 554 CB GLN A 418 1.926 3.278 -3.383 1.00 0.00 C ATOM 555 CG GLN A 418 2.642 2.058 -3.967 1.00 0.00 C ATOM 556 CD GLN A 418 1.713 1.025 -4.570 1.00 0.00 C ATOM 557 OE1 GLN A 418 1.019 1.288 -5.553 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.701 -0.164 -3.987 1.00 0.00 N ATOM 0 H GLN A 418 1.199 1.019 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 418 0.904 3.898 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.341 3.748 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.677 4.003 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.341 2.393 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 418 3.232 1.586 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.292 -0.340 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 418 1.101 -0.904 -4.351 1.00 0.00 H new ATOM 567 N PHE A 419 -1.226 3.600 -2.919 1.00 0.00 N ATOM 568 CA PHE A 419 -2.571 3.364 -3.405 1.00 0.00 C ATOM 569 C PHE A 419 -2.498 2.773 -4.804 1.00 0.00 C ATOM 570 O PHE A 419 -1.957 3.396 -5.718 1.00 0.00 O ATOM 571 CB PHE A 419 -3.351 4.677 -3.426 1.00 0.00 C ATOM 572 CG PHE A 419 -4.811 4.520 -3.718 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.607 3.730 -2.911 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.386 5.167 -4.796 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.956 3.593 -3.171 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.735 5.036 -5.061 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.520 4.244 -4.250 1.00 0.00 C ATOM 0 H PHE A 419 -0.992 4.583 -2.783 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.084 2.665 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.236 5.170 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.911 5.336 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.170 3.215 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.773 5.782 -5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.570 2.977 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.174 5.553 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.574 4.133 -4.458 1.00 0.00 H new ATOM 587 N ASN A 420 -2.936 1.535 -4.949 1.00 0.00 N ATOM 588 CA ASN A 420 -2.793 0.842 -6.223 1.00 0.00 C ATOM 589 C ASN A 420 -3.997 1.100 -7.121 1.00 0.00 C ATOM 590 O ASN A 420 -3.902 0.966 -8.339 1.00 0.00 O ATOM 591 CB ASN A 420 -2.528 -0.664 -6.024 1.00 0.00 C ATOM 592 CG ASN A 420 -3.165 -1.234 -4.779 1.00 0.00 C ATOM 593 OD1 ASN A 420 -2.992 -0.699 -3.684 1.00 0.00 O ATOM 594 ND2 ASN A 420 -3.853 -2.352 -4.921 1.00 0.00 N ATOM 0 H ASN A 420 -3.388 0.992 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 420 -1.917 1.248 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.900 -1.207 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -1.452 -0.832 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -4.265 -2.805 -4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -3.973 -2.763 -5.847 1.00 0.00 H new ATOM 601 N SER A 421 -5.057 1.643 -6.518 1.00 0.00 N ATOM 602 CA SER A 421 -6.242 2.116 -7.244 1.00 0.00 C ATOM 603 C SER A 421 -6.943 0.985 -7.995 1.00 0.00 C ATOM 604 O SER A 421 -6.414 0.451 -8.969 1.00 0.00 O ATOM 605 CB SER A 421 -5.854 3.242 -8.211 1.00 0.00 C ATOM 606 OG SER A 421 -6.995 3.837 -8.806 1.00 0.00 O ATOM 0 H SER A 421 -5.120 1.768 -5.508 1.00 0.00 H new ATOM 0 HA SER A 421 -6.948 2.501 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 421 -5.285 4.002 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.203 2.845 -8.990 1.00 0.00 H new ATOM 0 HG SER A 421 -6.712 4.551 -9.415 1.00 0.00 H new ATOM 612 N THR A 422 -8.174 0.684 -7.572 1.00 0.00 N ATOM 613 CA THR A 422 -9.009 -0.348 -8.196 1.00 0.00 C ATOM 614 C THR A 422 -8.236 -1.651 -8.402 1.00 0.00 C ATOM 615 O THR A 422 -8.365 -2.312 -9.436 1.00 0.00 O ATOM 616 CB THR A 422 -9.612 0.123 -9.542 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.582 0.554 -10.445 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.601 1.259 -9.322 1.00 0.00 C ATOM 0 H THR A 422 -8.622 1.151 -6.784 1.00 0.00 H new ATOM 0 HA THR A 422 -9.830 -0.534 -7.503 1.00 0.00 H new ATOM 0 HB THR A 422 -10.135 -0.726 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.717 0.204 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 422 -11.012 1.574 -10.281 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.409 0.918 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 422 -10.091 2.100 -8.852 1.00 0.00 H new ATOM 626 N LYS A 423 -7.408 -1.993 -7.425 1.00 0.00 N ATOM 627 CA LYS A 423 -6.571 -3.172 -7.509 1.00 0.00 C ATOM 628 C LYS A 423 -6.586 -3.928 -6.191 1.00 0.00 C ATOM 629 O LYS A 423 -5.620 -4.607 -5.848 1.00 0.00 O ATOM 630 CB LYS A 423 -5.137 -2.768 -7.839 1.00 0.00 C ATOM 631 CG LYS A 423 -4.924 -2.288 -9.265 1.00 0.00 C ATOM 632 CD LYS A 423 -5.016 -3.427 -10.265 1.00 0.00 C ATOM 633 CE LYS A 423 -4.660 -2.952 -11.665 1.00 0.00 C ATOM 634 NZ LYS A 423 -4.657 -4.063 -12.650 1.00 0.00 N ATOM 0 H LYS A 423 -7.301 -1.463 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.962 -3.817 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.830 -1.977 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -4.483 -3.620 -7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.669 -1.530 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -3.947 -1.812 -9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.344 -4.232 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.026 -3.838 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -5.373 -2.191 -11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.677 -2.481 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.409 -3.693 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.958 -4.778 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.601 -4.497 -12.687 1.00 0.00 H new ATOM 648 N ALA A 424 -7.700 -3.839 -5.476 1.00 0.00 N ATOM 649 CA ALA A 424 -7.862 -4.567 -4.219 1.00 0.00 C ATOM 650 C ALA A 424 -7.829 -6.070 -4.466 1.00 0.00 C ATOM 651 O ALA A 424 -7.526 -6.855 -3.567 1.00 0.00 O ATOM 652 CB ALA A 424 -9.155 -4.168 -3.520 1.00 0.00 C ATOM 0 H ALA A 424 -8.505 -3.272 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 424 -7.030 -4.304 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.251 -4.724 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -9.138 -3.100 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -10.003 -4.394 -4.166 1.00 0.00 H new