USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=14 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 Single : A 384 SER OG : rot -23:sc= 0.17 USER MOD Single : A 390 ASN :FLIP amide:sc= -0.122 F(o=-1.5!,f=-0.12) USER MOD Single : A 391 LYS NZ :NH3+ 168:sc=-0.00904 (180deg=-0.15) USER MOD Single : A 393 THR OG1 : rot -46:sc= 0.533 USER MOD Single : A 397 LYS NZ :NH3+ -159:sc= -0.129 (180deg=-0.658) USER MOD Single : A 399 SER OG : rot -82:sc= 1.12 USER MOD Single : A 402 LYS NZ :NH3+ -146:sc= -0.928 (180deg=-2.67!) USER MOD Single : A 405 SER OG : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HE2:sc= 0.726 K(o=0.73,f=-5.8!) USER MOD Single : A 408 LYS NZ :NH3+ 164:sc= -0.0274 (180deg=-0.244) USER MOD Single : A 411 LYS NZ :NH3+ -121:sc= 1.16 (180deg=-0.419) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 418 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.23) USER MOD Single : A 420 ASN :FLIP amide:sc= -4.18! F(o=-5.8,f=-4.2!) USER MOD Single : A 421 SER OG : rot 16:sc= 0.908 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N SER A 384 -7.781 10.743 0.529 1.00 0.00 N ATOM 33 CA SER A 384 -6.392 10.622 0.074 1.00 0.00 C ATOM 34 C SER A 384 -5.916 9.165 0.096 1.00 0.00 C ATOM 35 O SER A 384 -5.088 8.784 0.925 1.00 0.00 O ATOM 36 CB SER A 384 -5.469 11.527 0.906 1.00 0.00 C ATOM 37 OG SER A 384 -5.679 11.343 2.297 1.00 0.00 O ATOM 0 HA SER A 384 -6.349 10.956 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 384 -4.429 11.311 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.648 12.570 0.645 1.00 0.00 H new ATOM 0 HG SER A 384 -6.578 10.982 2.447 1.00 0.00 H new ATOM 43 N PRO A 385 -6.494 8.313 -0.774 1.00 0.00 N ATOM 44 CA PRO A 385 -6.194 6.878 -0.798 1.00 0.00 C ATOM 45 C PRO A 385 -4.720 6.579 -1.068 1.00 0.00 C ATOM 46 O PRO A 385 -4.146 5.661 -0.484 1.00 0.00 O ATOM 47 CB PRO A 385 -7.071 6.335 -1.933 1.00 0.00 C ATOM 48 CG PRO A 385 -7.477 7.529 -2.726 1.00 0.00 C ATOM 49 CD PRO A 385 -7.537 8.666 -1.750 1.00 0.00 C ATOM 0 HA PRO A 385 -6.396 6.417 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.521 5.623 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.942 5.810 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -6.759 7.733 -3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.444 7.371 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -7.334 9.623 -2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -8.518 8.746 -1.282 1.00 0.00 H new ATOM 57 N GLU A 386 -4.095 7.378 -1.919 1.00 0.00 N ATOM 58 CA GLU A 386 -2.679 7.210 -2.196 1.00 0.00 C ATOM 59 C GLU A 386 -1.875 7.535 -0.947 1.00 0.00 C ATOM 60 O GLU A 386 -1.004 6.768 -0.535 1.00 0.00 O ATOM 61 CB GLU A 386 -2.239 8.119 -3.346 1.00 0.00 C ATOM 62 CG GLU A 386 -0.853 7.796 -3.882 1.00 0.00 C ATOM 63 CD GLU A 386 -0.829 6.507 -4.674 1.00 0.00 C ATOM 64 OE1 GLU A 386 -1.521 6.439 -5.710 1.00 0.00 O ATOM 65 OE2 GLU A 386 -0.118 5.559 -4.270 1.00 0.00 O ATOM 0 H GLU A 386 -4.542 8.142 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.501 6.175 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.961 8.038 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.256 9.155 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -0.511 8.615 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.153 7.722 -3.050 1.00 0.00 H new ATOM 72 N ALA A 387 -2.219 8.654 -0.317 1.00 0.00 N ATOM 73 CA ALA A 387 -1.541 9.101 0.889 1.00 0.00 C ATOM 74 C ALA A 387 -1.724 8.118 2.042 1.00 0.00 C ATOM 75 O ALA A 387 -0.776 7.852 2.782 1.00 0.00 O ATOM 76 CB ALA A 387 -2.028 10.484 1.288 1.00 0.00 C ATOM 0 H ALA A 387 -2.970 9.270 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.475 9.150 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.511 10.805 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.821 11.189 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.101 10.452 1.475 1.00 0.00 H new ATOM 82 N GLU A 388 -2.945 7.611 2.215 1.00 0.00 N ATOM 83 CA GLU A 388 -3.238 6.705 3.321 1.00 0.00 C ATOM 84 C GLU A 388 -2.393 5.439 3.215 1.00 0.00 C ATOM 85 O GLU A 388 -1.764 5.022 4.187 1.00 0.00 O ATOM 86 CB GLU A 388 -4.735 6.368 3.390 1.00 0.00 C ATOM 87 CG GLU A 388 -5.244 5.466 2.282 1.00 0.00 C ATOM 88 CD GLU A 388 -6.691 5.065 2.485 1.00 0.00 C ATOM 89 OE1 GLU A 388 -6.972 4.316 3.442 1.00 0.00 O ATOM 90 OE2 GLU A 388 -7.556 5.505 1.702 1.00 0.00 O ATOM 0 H GLU A 388 -3.740 7.811 1.608 1.00 0.00 H new ATOM 0 HA GLU A 388 -2.977 7.213 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -4.940 5.891 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.302 7.299 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.142 5.977 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.625 4.570 2.233 1.00 0.00 H new ATOM 97 N CYS A 389 -2.308 4.886 2.014 1.00 0.00 N ATOM 98 CA CYS A 389 -1.472 3.728 1.767 1.00 0.00 C ATOM 99 C CYS A 389 0.005 4.079 1.937 1.00 0.00 C ATOM 100 O CYS A 389 0.766 3.318 2.524 1.00 0.00 O ATOM 101 CB CYS A 389 -1.731 3.188 0.365 1.00 0.00 C ATOM 102 SG CYS A 389 -3.418 2.542 0.125 1.00 0.00 S ATOM 0 H CYS A 389 -2.811 5.225 1.194 1.00 0.00 H new ATOM 0 HA CYS A 389 -1.724 2.957 2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.550 3.982 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.015 2.394 0.154 1.00 0.00 H new ATOM 107 N ASN A 390 0.389 5.258 1.458 1.00 0.00 N ATOM 108 CA ASN A 390 1.773 5.726 1.566 1.00 0.00 C ATOM 109 C ASN A 390 2.245 5.780 3.016 1.00 0.00 C ATOM 110 O ASN A 390 3.436 5.635 3.287 1.00 0.00 O ATOM 111 CB ASN A 390 1.926 7.109 0.932 1.00 0.00 C ATOM 112 CG ASN A 390 2.063 7.072 -0.580 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.229 5.885 -1.151 1.00 0.00 O flip ATOM 114 ND2 ASN A 390 2.040 8.112 -1.235 1.00 0.00 N flip ATOM 0 H ASN A 390 -0.239 5.911 0.989 1.00 0.00 H new ATOM 0 HA ASN A 390 2.393 5.007 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.061 7.718 1.195 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.802 7.599 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 390 1.911 9.008 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.150 8.079 -2.248 1.00 0.00 H new ATOM 121 N LYS A 391 1.319 6.030 3.937 1.00 0.00 N ATOM 122 CA LYS A 391 1.649 6.134 5.355 1.00 0.00 C ATOM 123 C LYS A 391 2.175 4.807 5.897 1.00 0.00 C ATOM 124 O LYS A 391 3.007 4.777 6.805 1.00 0.00 O ATOM 125 CB LYS A 391 0.429 6.577 6.162 1.00 0.00 C ATOM 126 CG LYS A 391 -0.061 7.974 5.818 1.00 0.00 C ATOM 127 CD LYS A 391 1.041 9.012 5.971 1.00 0.00 C ATOM 128 CE LYS A 391 0.541 10.413 5.657 1.00 0.00 C ATOM 129 NZ LYS A 391 -0.476 10.871 6.639 1.00 0.00 N ATOM 0 H LYS A 391 0.330 6.165 3.726 1.00 0.00 H new ATOM 0 HA LYS A 391 2.433 6.884 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.381 5.867 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.674 6.539 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 391 -0.433 7.987 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.899 8.235 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 391 1.429 8.984 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 391 1.869 8.764 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 391 1.382 11.107 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 391 0.112 10.429 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -0.642 11.890 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -1.365 10.354 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -0.133 10.689 7.604 1.00 0.00 H new ATOM 143 N ILE A 392 1.686 3.714 5.338 1.00 0.00 N ATOM 144 CA ILE A 392 2.119 2.388 5.747 1.00 0.00 C ATOM 145 C ILE A 392 3.492 2.079 5.148 1.00 0.00 C ATOM 146 O ILE A 392 3.809 2.525 4.046 1.00 0.00 O ATOM 147 CB ILE A 392 1.112 1.305 5.309 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.325 1.754 5.595 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.407 -0.012 6.012 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.608 2.031 7.056 1.00 0.00 C ATOM 0 H ILE A 392 0.986 3.718 4.596 1.00 0.00 H new ATOM 0 HA ILE A 392 2.179 2.379 6.835 1.00 0.00 H new ATOM 0 HB ILE A 392 1.217 1.156 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.534 2.655 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -1.011 0.984 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 392 0.687 -0.765 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.414 -0.342 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.331 0.126 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.646 2.343 7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.434 1.126 7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.051 2.823 7.410 1.00 0.00 H new ATOM 162 N THR A 393 4.325 1.372 5.894 1.00 0.00 N ATOM 163 CA THR A 393 5.674 1.073 5.438 1.00 0.00 C ATOM 164 C THR A 393 6.103 -0.321 5.909 1.00 0.00 C ATOM 165 O THR A 393 7.290 -0.603 6.082 1.00 0.00 O ATOM 166 CB THR A 393 6.666 2.158 5.935 1.00 0.00 C ATOM 167 OG1 THR A 393 7.965 1.976 5.348 1.00 0.00 O ATOM 168 CG2 THR A 393 6.779 2.151 7.456 1.00 0.00 C ATOM 0 H THR A 393 4.093 0.996 6.813 1.00 0.00 H new ATOM 0 HA THR A 393 5.683 1.079 4.348 1.00 0.00 H new ATOM 0 HB THR A 393 6.272 3.125 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 393 8.218 1.031 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.481 2.922 7.772 1.00 0.00 H new ATOM 0 HG22 THR A 393 5.801 2.349 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 393 7.136 1.177 7.790 1.00 0.00 H new ATOM 176 N GLU A 394 5.124 -1.217 6.010 1.00 0.00 N ATOM 177 CA GLU A 394 5.371 -2.607 6.386 1.00 0.00 C ATOM 178 C GLU A 394 4.474 -3.533 5.577 1.00 0.00 C ATOM 179 O GLU A 394 3.293 -3.244 5.397 1.00 0.00 O ATOM 180 CB GLU A 394 5.099 -2.817 7.878 1.00 0.00 C ATOM 181 CG GLU A 394 6.125 -2.170 8.791 1.00 0.00 C ATOM 182 CD GLU A 394 7.461 -2.883 8.771 1.00 0.00 C ATOM 183 OE1 GLU A 394 8.115 -2.913 7.708 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.857 -3.426 9.823 1.00 0.00 O ATOM 0 H GLU A 394 4.142 -1.002 5.835 1.00 0.00 H new ATOM 0 HA GLU A 394 6.416 -2.837 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 394 4.113 -2.418 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 394 5.068 -3.887 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.268 -1.132 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 394 5.740 -2.157 9.811 1.00 0.00 H new ATOM 191 N GLU A 395 5.037 -4.637 5.093 1.00 0.00 N ATOM 192 CA GLU A 395 4.296 -5.612 4.299 1.00 0.00 C ATOM 193 C GLU A 395 3.123 -6.196 5.098 1.00 0.00 C ATOM 194 O GLU A 395 1.983 -6.126 4.640 1.00 0.00 O ATOM 195 CB GLU A 395 5.249 -6.726 3.828 1.00 0.00 C ATOM 196 CG GLU A 395 4.756 -7.547 2.639 1.00 0.00 C ATOM 197 CD GLU A 395 3.567 -8.435 2.946 1.00 0.00 C ATOM 198 OE1 GLU A 395 3.618 -9.184 3.945 1.00 0.00 O ATOM 199 OE2 GLU A 395 2.597 -8.422 2.160 1.00 0.00 O ATOM 0 H GLU A 395 6.017 -4.880 5.240 1.00 0.00 H new ATOM 0 HA GLU A 395 3.879 -5.110 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 395 6.206 -6.276 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.433 -7.401 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.488 -6.868 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 395 5.575 -8.168 2.277 1.00 0.00 H new ATOM 206 N PRO A 396 3.362 -6.753 6.311 1.00 0.00 N ATOM 207 CA PRO A 396 2.292 -7.336 7.133 1.00 0.00 C ATOM 208 C PRO A 396 1.139 -6.364 7.366 1.00 0.00 C ATOM 209 O PRO A 396 -0.026 -6.761 7.387 1.00 0.00 O ATOM 210 CB PRO A 396 2.986 -7.664 8.455 1.00 0.00 C ATOM 211 CG PRO A 396 4.417 -7.844 8.094 1.00 0.00 C ATOM 212 CD PRO A 396 4.678 -6.876 6.977 1.00 0.00 C ATOM 0 HA PRO A 396 1.841 -8.202 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.858 -6.860 9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 396 2.574 -8.567 8.905 1.00 0.00 H new ATOM 0 HG2 PRO A 396 5.065 -7.642 8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 396 4.616 -8.868 7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 396 5.029 -5.915 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 396 5.441 -7.249 6.293 1.00 0.00 H new ATOM 220 N LYS A 397 1.466 -5.090 7.526 1.00 0.00 N ATOM 221 CA LYS A 397 0.450 -4.069 7.734 1.00 0.00 C ATOM 222 C LYS A 397 -0.225 -3.678 6.421 1.00 0.00 C ATOM 223 O LYS A 397 -1.449 -3.673 6.329 1.00 0.00 O ATOM 224 CB LYS A 397 1.053 -2.827 8.392 1.00 0.00 C ATOM 225 CG LYS A 397 1.481 -3.039 9.834 1.00 0.00 C ATOM 226 CD LYS A 397 1.841 -1.722 10.499 1.00 0.00 C ATOM 227 CE LYS A 397 2.042 -1.890 11.995 1.00 0.00 C ATOM 228 NZ LYS A 397 0.831 -2.440 12.662 1.00 0.00 N ATOM 0 H LYS A 397 2.424 -4.739 7.516 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.304 -4.494 8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.917 -2.504 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.323 -2.018 8.355 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.676 -3.521 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.338 -3.712 9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.752 -1.324 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.051 -0.993 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 397 2.888 -2.554 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.293 -0.926 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 0.861 -2.214 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -0.020 -2.018 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 0.805 -3.472 12.537 1.00 0.00 H new ATOM 242 N CYS A 398 0.582 -3.313 5.431 1.00 0.00 N ATOM 243 CA CYS A 398 0.076 -2.822 4.149 1.00 0.00 C ATOM 244 C CYS A 398 -0.800 -3.856 3.460 1.00 0.00 C ATOM 245 O CYS A 398 -1.785 -3.513 2.807 1.00 0.00 O ATOM 246 CB CYS A 398 1.243 -2.442 3.240 1.00 0.00 C ATOM 247 SG CYS A 398 0.759 -1.616 1.692 1.00 0.00 S ATOM 0 H CYS A 398 1.600 -3.348 5.491 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.536 -1.942 4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 398 1.917 -1.786 3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.805 -3.344 2.995 1.00 0.00 H new ATOM 252 N SER A 399 -0.434 -5.120 3.607 1.00 0.00 N ATOM 253 CA SER A 399 -1.176 -6.207 2.992 1.00 0.00 C ATOM 254 C SER A 399 -2.602 -6.279 3.542 1.00 0.00 C ATOM 255 O SER A 399 -3.556 -6.518 2.799 1.00 0.00 O ATOM 256 CB SER A 399 -0.433 -7.526 3.218 1.00 0.00 C ATOM 257 OG SER A 399 -0.207 -7.757 4.598 1.00 0.00 O ATOM 0 H SER A 399 0.377 -5.418 4.150 1.00 0.00 H new ATOM 0 HA SER A 399 -1.250 -6.022 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 399 -1.012 -8.349 2.799 1.00 0.00 H new ATOM 0 HB3 SER A 399 0.520 -7.505 2.689 1.00 0.00 H new ATOM 0 HG SER A 399 0.590 -7.265 4.886 1.00 0.00 H new ATOM 263 N GLU A 400 -2.744 -6.036 4.840 1.00 0.00 N ATOM 264 CA GLU A 400 -4.047 -6.056 5.490 1.00 0.00 C ATOM 265 C GLU A 400 -4.800 -4.740 5.284 1.00 0.00 C ATOM 266 O GLU A 400 -6.029 -4.700 5.388 1.00 0.00 O ATOM 267 CB GLU A 400 -3.899 -6.337 6.984 1.00 0.00 C ATOM 268 CG GLU A 400 -3.238 -7.672 7.291 1.00 0.00 C ATOM 269 CD GLU A 400 -3.277 -8.019 8.763 1.00 0.00 C ATOM 270 OE1 GLU A 400 -2.785 -7.220 9.584 1.00 0.00 O ATOM 271 OE2 GLU A 400 -3.803 -9.102 9.107 1.00 0.00 O ATOM 0 H GLU A 400 -1.967 -5.822 5.465 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.626 -6.856 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.313 -5.538 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.885 -6.314 7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.736 -8.458 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.201 -7.645 6.956 1.00 0.00 H new ATOM 278 N GLU A 401 -4.057 -3.661 5.048 1.00 0.00 N ATOM 279 CA GLU A 401 -4.660 -2.342 4.862 1.00 0.00 C ATOM 280 C GLU A 401 -5.649 -2.353 3.705 1.00 0.00 C ATOM 281 O GLU A 401 -5.429 -3.006 2.681 1.00 0.00 O ATOM 282 CB GLU A 401 -3.599 -1.274 4.611 1.00 0.00 C ATOM 283 CG GLU A 401 -2.783 -0.901 5.836 1.00 0.00 C ATOM 284 CD GLU A 401 -3.629 -0.365 6.978 1.00 0.00 C ATOM 285 OE1 GLU A 401 -4.402 0.591 6.761 1.00 0.00 O ATOM 286 OE2 GLU A 401 -3.507 -0.883 8.107 1.00 0.00 O ATOM 0 H GLU A 401 -3.039 -3.673 4.981 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.189 -2.100 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -2.923 -1.627 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.087 -0.378 4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.234 -1.778 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.043 -0.151 5.557 1.00 0.00 H new ATOM 293 N LYS A 402 -6.747 -1.647 3.898 1.00 0.00 N ATOM 294 CA LYS A 402 -7.802 -1.573 2.905 1.00 0.00 C ATOM 295 C LYS A 402 -7.326 -0.855 1.647 1.00 0.00 C ATOM 296 O LYS A 402 -6.803 0.256 1.723 1.00 0.00 O ATOM 297 CB LYS A 402 -9.008 -0.847 3.494 1.00 0.00 C ATOM 298 CG LYS A 402 -9.686 -1.603 4.625 1.00 0.00 C ATOM 299 CD LYS A 402 -10.412 -0.671 5.591 1.00 0.00 C ATOM 300 CE LYS A 402 -11.383 0.267 4.885 1.00 0.00 C ATOM 301 NZ LYS A 402 -10.706 1.473 4.334 1.00 0.00 N ATOM 0 H LYS A 402 -6.933 -1.110 4.745 1.00 0.00 H new ATOM 0 HA LYS A 402 -8.084 -2.588 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -8.689 0.129 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.735 -0.668 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -10.397 -2.316 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -8.940 -2.180 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.956 -1.266 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -9.679 -0.081 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -11.879 -0.269 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -12.159 0.577 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -11.348 2.289 4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -9.845 1.669 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -10.452 1.305 3.340 1.00 0.00 H new ATOM 315 N ILE A 403 -7.549 -1.501 0.502 1.00 0.00 N ATOM 316 CA ILE A 403 -7.219 -0.974 -0.830 1.00 0.00 C ATOM 317 C ILE A 403 -5.758 -0.500 -0.940 1.00 0.00 C ATOM 318 O ILE A 403 -5.377 0.172 -1.902 1.00 0.00 O ATOM 319 CB ILE A 403 -8.218 0.140 -1.266 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.346 0.171 -2.794 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.807 1.512 -0.746 1.00 0.00 C ATOM 322 CD1 ILE A 403 -9.507 1.010 -3.290 1.00 0.00 C ATOM 0 H ILE A 403 -7.974 -2.428 0.470 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.323 -1.807 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 403 -9.186 -0.101 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -7.421 0.559 -3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -8.463 -0.849 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -8.532 2.257 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -7.773 1.493 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.822 1.768 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -9.535 0.985 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -10.440 0.610 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -9.382 2.039 -2.954 1.00 0.00 H new ATOM 334 N CYS A 404 -4.909 -1.026 -0.071 1.00 0.00 N ATOM 335 CA CYS A 404 -3.479 -0.799 -0.172 1.00 0.00 C ATOM 336 C CYS A 404 -2.788 -2.099 -0.557 1.00 0.00 C ATOM 337 O CYS A 404 -3.270 -3.183 -0.220 1.00 0.00 O ATOM 338 CB CYS A 404 -2.924 -0.271 1.154 1.00 0.00 C ATOM 339 SG CYS A 404 -3.681 1.295 1.704 1.00 0.00 S ATOM 0 H CYS A 404 -5.188 -1.615 0.714 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.289 -0.049 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.075 -1.026 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.848 -0.127 1.054 1.00 0.00 H new ATOM 344 N SER A 405 -1.716 -2.002 -1.327 1.00 0.00 N ATOM 345 CA SER A 405 -1.022 -3.186 -1.800 1.00 0.00 C ATOM 346 C SER A 405 0.484 -2.986 -1.700 1.00 0.00 C ATOM 347 O SER A 405 0.982 -1.866 -1.842 1.00 0.00 O ATOM 348 CB SER A 405 -1.429 -3.495 -3.242 1.00 0.00 C ATOM 349 OG SER A 405 -1.039 -4.807 -3.618 1.00 0.00 O ATOM 0 H SER A 405 -1.310 -1.119 -1.636 1.00 0.00 H new ATOM 0 HA SER A 405 -1.301 -4.033 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 405 -2.509 -3.390 -3.348 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.971 -2.770 -3.915 1.00 0.00 H new ATOM 0 HG SER A 405 -1.313 -4.977 -4.543 1.00 0.00 H new ATOM 355 N TRP A 406 1.193 -4.051 -1.352 1.00 0.00 N ATOM 356 CA TRP A 406 2.624 -3.964 -1.146 1.00 0.00 C ATOM 357 C TRP A 406 3.381 -4.018 -2.466 1.00 0.00 C ATOM 358 O TRP A 406 3.295 -4.987 -3.224 1.00 0.00 O ATOM 359 CB TRP A 406 3.119 -5.078 -0.222 1.00 0.00 C ATOM 360 CG TRP A 406 4.512 -4.846 0.278 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.623 -5.584 -0.009 1.00 0.00 C ATOM 362 CD2 TRP A 406 4.941 -3.809 1.166 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.715 -5.062 0.634 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.323 -3.975 1.364 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.292 -2.757 1.807 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.065 -3.127 2.179 1.00 0.00 C ATOM 367 CZ3 TRP A 406 5.028 -1.915 2.618 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.401 -2.104 2.796 1.00 0.00 C ATOM 0 H TRP A 406 0.798 -4.980 -1.208 1.00 0.00 H new ATOM 0 HA TRP A 406 2.819 -3.002 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.443 -5.165 0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.083 -6.028 -0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.640 -6.453 -0.650 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.666 -5.426 0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.232 -2.602 1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.126 -3.271 2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.534 -1.098 3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.949 -1.427 3.435 1.00 0.00 H new ATOM 379 N HIS A 407 4.187 -2.999 -2.661 1.00 0.00 N ATOM 380 CA HIS A 407 5.099 -2.885 -3.784 1.00 0.00 C ATOM 381 C HIS A 407 6.402 -3.591 -3.413 1.00 0.00 C ATOM 382 O HIS A 407 7.270 -2.983 -2.791 1.00 0.00 O ATOM 383 CB HIS A 407 5.356 -1.394 -4.027 1.00 0.00 C ATOM 384 CG HIS A 407 5.564 -0.971 -5.442 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.575 -1.444 -6.237 1.00 0.00 N ATOM 386 CD2 HIS A 407 4.916 -0.037 -6.177 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.551 -0.819 -7.392 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.551 0.035 -7.386 1.00 0.00 N ATOM 0 H HIS A 407 4.230 -2.202 -2.026 1.00 0.00 H new ATOM 0 HA HIS A 407 4.687 -3.339 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.512 -0.834 -3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.235 -1.102 -3.452 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.242 -2.169 -5.973 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.059 0.542 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.238 -0.980 -8.210 1.00 0.00 H new ATOM 397 N LYS A 408 6.437 -4.910 -3.584 1.00 0.00 N ATOM 398 CA LYS A 408 7.553 -5.717 -3.088 1.00 0.00 C ATOM 399 C LYS A 408 8.873 -5.259 -3.700 1.00 0.00 C ATOM 400 O LYS A 408 9.753 -4.758 -2.995 1.00 0.00 O ATOM 401 CB LYS A 408 7.320 -7.199 -3.399 1.00 0.00 C ATOM 402 CG LYS A 408 6.004 -7.737 -2.859 1.00 0.00 C ATOM 403 CD LYS A 408 5.818 -9.208 -3.193 1.00 0.00 C ATOM 404 CE LYS A 408 6.779 -10.089 -2.410 1.00 0.00 C ATOM 405 NZ LYS A 408 6.510 -10.046 -0.947 1.00 0.00 N ATOM 0 H LYS A 408 5.709 -5.443 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 408 7.609 -5.584 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 408 7.345 -7.343 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 408 8.140 -7.782 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 408 5.972 -7.603 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 408 5.177 -7.162 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 408 4.792 -9.504 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 408 5.972 -9.361 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.698 -11.117 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 408 7.803 -9.767 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 6.988 -10.844 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 6.868 -9.152 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 5.486 -10.112 -0.780 1.00 0.00 H new ATOM 419 N GLU A 409 8.941 -5.287 -5.023 1.00 0.00 N ATOM 420 CA GLU A 409 10.074 -4.723 -5.733 1.00 0.00 C ATOM 421 C GLU A 409 9.836 -3.237 -5.931 1.00 0.00 C ATOM 422 O GLU A 409 8.745 -2.839 -6.325 1.00 0.00 O ATOM 423 CB GLU A 409 10.264 -5.411 -7.085 1.00 0.00 C ATOM 424 CG GLU A 409 11.428 -4.857 -7.889 1.00 0.00 C ATOM 425 CD GLU A 409 11.670 -5.621 -9.170 1.00 0.00 C ATOM 426 OE1 GLU A 409 11.968 -6.831 -9.097 1.00 0.00 O ATOM 427 OE2 GLU A 409 11.572 -5.017 -10.259 1.00 0.00 O ATOM 0 H GLU A 409 8.225 -5.694 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 409 10.980 -4.879 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.420 -6.477 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.349 -5.308 -7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.235 -3.811 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.331 -4.884 -7.279 1.00 0.00 H new ATOM 434 N VAL A 410 10.824 -2.418 -5.610 1.00 0.00 N ATOM 435 CA VAL A 410 10.668 -0.975 -5.712 1.00 0.00 C ATOM 436 C VAL A 410 11.911 -0.299 -6.261 1.00 0.00 C ATOM 437 O VAL A 410 13.029 -0.525 -5.788 1.00 0.00 O ATOM 438 CB VAL A 410 10.327 -0.319 -4.352 1.00 0.00 C ATOM 439 CG1 VAL A 410 8.878 -0.564 -3.976 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.253 -0.823 -3.255 1.00 0.00 C ATOM 0 H VAL A 410 11.738 -2.725 -5.278 1.00 0.00 H new ATOM 0 HA VAL A 410 9.837 -0.831 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 410 10.475 0.756 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 410 8.666 -0.092 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.227 -0.140 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 410 8.698 -1.636 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 410 10.991 -0.346 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 410 11.147 -1.903 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.285 -0.581 -3.510 1.00 0.00 H new ATOM 450 N LYS A 411 11.676 0.662 -7.130 1.00 0.00 N ATOM 451 CA LYS A 411 12.716 1.572 -7.555 1.00 0.00 C ATOM 452 C LYS A 411 12.992 2.553 -6.423 1.00 0.00 C ATOM 453 O LYS A 411 12.064 2.983 -5.737 1.00 0.00 O ATOM 454 CB LYS A 411 12.283 2.315 -8.820 1.00 0.00 C ATOM 455 CG LYS A 411 13.152 3.509 -9.162 1.00 0.00 C ATOM 456 CD LYS A 411 12.601 4.268 -10.353 1.00 0.00 C ATOM 457 CE LYS A 411 13.235 5.639 -10.474 1.00 0.00 C ATOM 458 NZ LYS A 411 12.888 6.517 -9.325 1.00 0.00 N ATOM 0 H LYS A 411 10.766 0.833 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 411 13.625 1.018 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 411 12.293 1.619 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 411 11.253 2.651 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 411 13.214 4.175 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 411 14.166 3.173 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.783 3.699 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.521 4.372 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.318 5.533 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 411 12.908 6.109 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 12.406 7.370 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 12.259 6.005 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 13.756 6.791 -8.823 1.00 0.00 H new ATOM 472 N ALA A 412 14.259 2.851 -6.180 1.00 0.00 N ATOM 473 CA ALA A 412 14.626 3.746 -5.095 1.00 0.00 C ATOM 474 C ALA A 412 13.983 5.115 -5.297 1.00 0.00 C ATOM 475 O ALA A 412 14.071 5.703 -6.378 1.00 0.00 O ATOM 476 CB ALA A 412 16.137 3.864 -4.990 1.00 0.00 C ATOM 0 H ALA A 412 15.047 2.488 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 412 14.255 3.330 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 412 16.393 4.538 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 412 16.566 2.881 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 412 16.537 4.258 -5.924 1.00 0.00 H new ATOM 482 N GLY A 413 13.236 5.557 -4.298 1.00 0.00 N ATOM 483 CA GLY A 413 12.482 6.787 -4.422 1.00 0.00 C ATOM 484 C GLY A 413 10.989 6.532 -4.449 1.00 0.00 C ATOM 485 O GLY A 413 10.198 7.376 -4.023 1.00 0.00 O ATOM 0 H GLY A 413 13.138 5.084 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 413 12.723 7.447 -3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 413 12.779 7.305 -5.334 1.00 0.00 H new ATOM 489 N GLU A 414 10.602 5.373 -4.974 1.00 0.00 N ATOM 490 CA GLU A 414 9.195 4.996 -5.074 1.00 0.00 C ATOM 491 C GLU A 414 8.623 4.616 -3.708 1.00 0.00 C ATOM 492 O GLU A 414 9.261 4.825 -2.673 1.00 0.00 O ATOM 493 CB GLU A 414 9.031 3.839 -6.065 1.00 0.00 C ATOM 494 CG GLU A 414 8.829 4.281 -7.511 1.00 0.00 C ATOM 495 CD GLU A 414 9.556 5.568 -7.864 1.00 0.00 C ATOM 496 OE1 GLU A 414 10.803 5.577 -7.913 1.00 0.00 O ATOM 497 OE2 GLU A 414 8.869 6.588 -8.088 1.00 0.00 O ATOM 0 H GLU A 414 11.248 4.674 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 414 8.637 5.858 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.913 3.201 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.179 3.231 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.171 3.487 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 414 7.763 4.414 -7.695 1.00 0.00 H new ATOM 504 N LYS A 415 7.423 4.048 -3.701 1.00 0.00 N ATOM 505 CA LYS A 415 6.769 3.681 -2.452 1.00 0.00 C ATOM 506 C LYS A 415 6.401 2.213 -2.434 1.00 0.00 C ATOM 507 O LYS A 415 5.858 1.686 -3.406 1.00 0.00 O ATOM 508 CB LYS A 415 5.515 4.532 -2.227 1.00 0.00 C ATOM 509 CG LYS A 415 5.814 5.935 -1.734 1.00 0.00 C ATOM 510 CD LYS A 415 6.566 5.904 -0.414 1.00 0.00 C ATOM 511 CE LYS A 415 5.670 5.515 0.748 1.00 0.00 C ATOM 512 NZ LYS A 415 6.443 5.383 2.011 1.00 0.00 N ATOM 0 H LYS A 415 6.886 3.833 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 415 7.477 3.869 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.957 4.595 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.871 4.031 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.404 6.467 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.882 6.487 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 415 7.393 5.197 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 415 7.001 6.885 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 415 4.890 6.266 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 415 5.172 4.572 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.801 5.116 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 7.171 4.649 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 6.898 6.291 2.236 1.00 0.00 H new ATOM 526 N ASN A 416 6.680 1.564 -1.315 1.00 0.00 N ATOM 527 CA ASN A 416 6.331 0.168 -1.146 1.00 0.00 C ATOM 528 C ASN A 416 4.847 0.028 -0.846 1.00 0.00 C ATOM 529 O ASN A 416 4.132 -0.686 -1.530 1.00 0.00 O ATOM 530 CB ASN A 416 7.138 -0.487 -0.025 1.00 0.00 C ATOM 531 CG ASN A 416 8.597 -0.677 -0.372 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.366 0.281 -0.419 1.00 0.00 O ATOM 533 ND2 ASN A 416 8.983 -1.917 -0.636 1.00 0.00 N ATOM 0 H ASN A 416 7.147 1.984 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 416 6.569 -0.340 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.062 0.125 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 416 6.699 -1.456 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 416 9.953 -2.106 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.311 -2.682 -0.585 1.00 0.00 H new ATOM 540 N CYS A 417 4.342 0.795 0.095 1.00 0.00 N ATOM 541 CA CYS A 417 2.911 0.787 0.316 1.00 0.00 C ATOM 542 C CYS A 417 2.296 1.953 -0.427 1.00 0.00 C ATOM 543 O CYS A 417 2.729 3.099 -0.278 1.00 0.00 O ATOM 544 CB CYS A 417 2.562 0.835 1.798 1.00 0.00 C ATOM 545 SG CYS A 417 0.837 0.356 2.158 1.00 0.00 S ATOM 0 H CYS A 417 4.879 1.414 0.702 1.00 0.00 H new ATOM 0 HA CYS A 417 2.502 -0.149 -0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.235 0.173 2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.736 1.844 2.171 1.00 0.00 H new ATOM 550 N GLN A 418 1.403 1.630 -1.342 1.00 0.00 N ATOM 551 CA GLN A 418 0.843 2.616 -2.245 1.00 0.00 C ATOM 552 C GLN A 418 -0.519 2.174 -2.741 1.00 0.00 C ATOM 553 O GLN A 418 -0.900 1.009 -2.586 1.00 0.00 O ATOM 554 CB GLN A 418 1.797 2.875 -3.422 1.00 0.00 C ATOM 555 CG GLN A 418 2.508 1.632 -3.951 1.00 0.00 C ATOM 556 CD GLN A 418 1.602 0.694 -4.725 1.00 0.00 C ATOM 557 OE1 GLN A 418 0.972 1.088 -5.707 1.00 0.00 O ATOM 558 NE2 GLN A 418 1.538 -0.556 -4.296 1.00 0.00 N ATOM 0 H GLN A 418 1.047 0.684 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 418 0.717 3.550 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 418 1.233 3.329 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.547 3.602 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 418 3.331 1.942 -4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.946 1.090 -3.113 1.00 0.00 H new ATOM 0 HE21 GLN A 418 2.076 -0.843 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 418 0.951 -1.233 -4.783 1.00 0.00 H new ATOM 567 N PHE A 419 -1.277 3.127 -3.252 1.00 0.00 N ATOM 568 CA PHE A 419 -2.625 2.863 -3.715 1.00 0.00 C ATOM 569 C PHE A 419 -2.594 1.977 -4.956 1.00 0.00 C ATOM 570 O PHE A 419 -2.095 2.381 -6.004 1.00 0.00 O ATOM 571 CB PHE A 419 -3.323 4.188 -4.027 1.00 0.00 C ATOM 572 CG PHE A 419 -4.793 4.061 -4.281 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.616 3.452 -3.353 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.350 4.555 -5.447 1.00 0.00 C ATOM 575 CE1 PHE A 419 -6.973 3.336 -3.584 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.706 4.443 -5.683 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.518 3.834 -4.751 1.00 0.00 C ATOM 0 H PHE A 419 -0.978 4.097 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.177 2.340 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.167 4.873 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.852 4.637 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.194 3.063 -2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.718 5.033 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.607 2.856 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -7.130 4.832 -6.597 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.579 3.746 -4.933 1.00 0.00 H new ATOM 587 N ASN A 420 -3.104 0.755 -4.830 1.00 0.00 N ATOM 588 CA ASN A 420 -3.101 -0.185 -5.952 1.00 0.00 C ATOM 589 C ASN A 420 -4.263 0.075 -6.906 1.00 0.00 C ATOM 590 O ASN A 420 -4.564 -0.756 -7.761 1.00 0.00 O ATOM 591 CB ASN A 420 -3.146 -1.646 -5.464 1.00 0.00 C ATOM 592 CG ASN A 420 -4.390 -2.020 -4.657 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.265 -1.066 -4.397 1.00 0.00 O flip ATOM 594 ND2 ASN A 420 -4.555 -3.174 -4.264 1.00 0.00 N flip ATOM 0 H ASN A 420 -3.521 0.393 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.167 -0.025 -6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.082 -2.305 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.264 -1.836 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -3.862 -3.890 -4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -5.385 -3.414 -3.722 1.00 0.00 H new ATOM 601 N SER A 421 -4.912 1.228 -6.740 1.00 0.00 N ATOM 602 CA SER A 421 -6.077 1.606 -7.537 1.00 0.00 C ATOM 603 C SER A 421 -7.089 0.455 -7.581 1.00 0.00 C ATOM 604 O SER A 421 -7.388 -0.141 -6.541 1.00 0.00 O ATOM 605 CB SER A 421 -5.650 2.077 -8.942 1.00 0.00 C ATOM 606 OG SER A 421 -4.905 1.085 -9.635 1.00 0.00 O ATOM 0 H SER A 421 -4.643 1.927 -6.047 1.00 0.00 H new ATOM 0 HA SER A 421 -6.575 2.452 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 421 -6.536 2.335 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 421 -5.051 2.984 -8.854 1.00 0.00 H new ATOM 0 HG SER A 421 -5.022 0.219 -9.192 1.00 0.00 H new ATOM 612 N THR A 422 -7.545 0.077 -8.769 1.00 0.00 N ATOM 613 CA THR A 422 -8.419 -1.067 -8.888 1.00 0.00 C ATOM 614 C THR A 422 -7.604 -2.358 -8.797 1.00 0.00 C ATOM 615 O THR A 422 -6.726 -2.625 -9.620 1.00 0.00 O ATOM 616 CB THR A 422 -9.250 -1.030 -10.196 1.00 0.00 C ATOM 617 OG1 THR A 422 -10.040 -2.220 -10.315 1.00 0.00 O ATOM 618 CG2 THR A 422 -8.363 -0.876 -11.425 1.00 0.00 C ATOM 0 H THR A 422 -7.324 0.543 -9.649 1.00 0.00 H new ATOM 0 HA THR A 422 -9.128 -1.034 -8.061 1.00 0.00 H new ATOM 0 HB THR A 422 -9.905 -0.160 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.562 -2.185 -11.144 1.00 0.00 H new ATOM 0 HG21 THR A 422 -8.983 -0.854 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 422 -7.798 0.053 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 422 -7.672 -1.717 -11.483 1.00 0.00 H new ATOM 626 N LYS A 423 -7.858 -3.110 -7.739 1.00 0.00 N ATOM 627 CA LYS A 423 -7.142 -4.346 -7.461 1.00 0.00 C ATOM 628 C LYS A 423 -7.737 -4.972 -6.214 1.00 0.00 C ATOM 629 O LYS A 423 -8.328 -6.051 -6.264 1.00 0.00 O ATOM 630 CB LYS A 423 -5.641 -4.084 -7.252 1.00 0.00 C ATOM 631 CG LYS A 423 -4.829 -5.336 -6.956 1.00 0.00 C ATOM 632 CD LYS A 423 -4.996 -6.397 -8.034 1.00 0.00 C ATOM 633 CE LYS A 423 -4.444 -5.944 -9.377 1.00 0.00 C ATOM 634 NZ LYS A 423 -4.570 -7.011 -10.404 1.00 0.00 N ATOM 0 H LYS A 423 -8.570 -2.880 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.244 -5.020 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.239 -3.605 -8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.517 -3.380 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -3.775 -5.071 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.135 -5.747 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -4.488 -7.310 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -6.053 -6.640 -8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -4.977 -5.053 -9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.396 -5.666 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.185 -6.670 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -4.041 -7.852 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -5.573 -7.258 -10.527 1.00 0.00 H new ATOM 648 N ALA A 424 -7.749 -4.187 -5.151 1.00 0.00 N ATOM 649 CA ALA A 424 -8.448 -4.560 -3.937 1.00 0.00 C ATOM 650 C ALA A 424 -9.701 -3.711 -3.807 1.00 0.00 C ATOM 651 O ALA A 424 -9.622 -2.483 -3.815 1.00 0.00 O ATOM 652 CB ALA A 424 -7.545 -4.383 -2.727 1.00 0.00 C ATOM 0 H ALA A 424 -7.279 -3.283 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.731 -5.611 -3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -8.086 -4.668 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.663 -5.014 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -7.238 -3.340 -2.652 1.00 0.00 H new