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 Set 1.1: A 405 SER OG : rot -120:sc= 0.18 USER MOD Set 1.2: A 420 ASN : amide:sc= -5.35! C(o=-5.2!,f=-15!) USER MOD Set 2.1: A 390 ASN : amide:sc= -0.3! K(o=0.18!,f=-2.1) USER MOD Set 2.2: A 415 LYS NZ :NH3+ 168:sc= 0.477 (180deg=-0.0627) USER MOD Single : A 383 LYS NZ :NH3+ -164:sc= -0.0427 (180deg=-0.275) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 THR OG1 : rot 36:sc= 1.22 USER MOD Single : A 397 LYS NZ :NH3+ -136:sc= -0.0688 (180deg=-0.439) USER MOD Single : A 399 SER OG : rot 107:sc= 1.37 USER MOD Single : A 402 LYS NZ :NH3+ 166:sc= -0.104 (180deg=-0.369) USER MOD Single : A 407 HIS : no HE2:sc= 0.267 K(o=0.27,f=-3.1!) USER MOD Single : A 408 LYS NZ :NH3+ 145:sc= 1.14 (180deg=-1.06) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 418 GLN : amide:sc= -4.16! C(o=-4.2!,f=-5.6!) USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 22:sc= 0.45 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= -0.2 USER MOD Single : A 426 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1) USER MOD Single : A 427 SER OG : rot 69:sc= 0.00167 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 382 -11.824 9.104 -3.968 1.00 0.00 N ATOM 2 CA GLY A 382 -11.015 9.185 -2.733 1.00 0.00 C ATOM 3 C GLY A 382 -10.446 10.569 -2.522 1.00 0.00 C ATOM 4 O GLY A 382 -10.119 11.261 -3.484 1.00 0.00 O ATOM 0 HA2 GLY A 382 -11.631 8.911 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 382 -10.201 8.462 -2.784 1.00 0.00 H new ATOM 10 N LYS A 383 -10.328 10.974 -1.268 1.00 0.00 N ATOM 11 CA LYS A 383 -9.771 12.282 -0.940 1.00 0.00 C ATOM 12 C LYS A 383 -8.272 12.286 -1.207 1.00 0.00 C ATOM 13 O LYS A 383 -7.754 13.157 -1.907 1.00 0.00 O ATOM 14 CB LYS A 383 -10.045 12.629 0.527 1.00 0.00 C ATOM 15 CG LYS A 383 -11.506 12.473 0.932 1.00 0.00 C ATOM 16 CD LYS A 383 -12.417 13.440 0.186 1.00 0.00 C ATOM 17 CE LYS A 383 -12.176 14.885 0.603 1.00 0.00 C ATOM 18 NZ LYS A 383 -12.500 15.114 2.036 1.00 0.00 N ATOM 0 H LYS A 383 -10.609 10.419 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 383 -10.249 13.034 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.431 11.991 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.734 13.657 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -11.828 11.450 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -11.603 12.639 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.252 13.340 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -13.458 13.177 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.133 15.145 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.782 15.547 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -12.586 16.135 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.399 14.645 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.742 14.722 2.630 1.00 0.00 H new ATOM 32 N SER A 384 -7.610 11.243 -0.732 1.00 0.00 N ATOM 33 CA SER A 384 -6.188 11.042 -0.964 1.00 0.00 C ATOM 34 C SER A 384 -5.815 9.618 -0.539 1.00 0.00 C ATOM 35 O SER A 384 -5.140 9.417 0.471 1.00 0.00 O ATOM 36 CB SER A 384 -5.373 12.081 -0.182 1.00 0.00 C ATOM 37 OG SER A 384 -4.161 12.397 -0.846 1.00 0.00 O ATOM 0 H SER A 384 -8.045 10.509 -0.173 1.00 0.00 H new ATOM 0 HA SER A 384 -5.961 11.170 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.965 12.987 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 384 -5.154 11.698 0.815 1.00 0.00 H new ATOM 0 HG SER A 384 -3.666 13.062 -0.324 1.00 0.00 H new ATOM 43 N PRO A 385 -6.355 8.605 -1.248 1.00 0.00 N ATOM 44 CA PRO A 385 -6.198 7.193 -0.872 1.00 0.00 C ATOM 45 C PRO A 385 -4.748 6.732 -0.867 1.00 0.00 C ATOM 46 O PRO A 385 -4.336 5.968 0.009 1.00 0.00 O ATOM 47 CB PRO A 385 -6.992 6.434 -1.935 1.00 0.00 C ATOM 48 CG PRO A 385 -7.952 7.430 -2.481 1.00 0.00 C ATOM 49 CD PRO A 385 -7.257 8.758 -2.402 1.00 0.00 C ATOM 0 HA PRO A 385 -6.549 7.020 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 385 -6.337 6.047 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 385 -7.513 5.579 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 385 -8.220 7.190 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 385 -8.877 7.438 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 385 -6.706 8.978 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 385 -7.965 9.573 -2.253 1.00 0.00 H new ATOM 57 N GLU A 386 -3.983 7.179 -1.856 1.00 0.00 N ATOM 58 CA GLU A 386 -2.580 6.810 -1.959 1.00 0.00 C ATOM 59 C GLU A 386 -1.816 7.303 -0.734 1.00 0.00 C ATOM 60 O GLU A 386 -1.007 6.571 -0.164 1.00 0.00 O ATOM 61 CB GLU A 386 -1.967 7.383 -3.236 1.00 0.00 C ATOM 62 CG GLU A 386 -0.569 6.865 -3.526 1.00 0.00 C ATOM 63 CD GLU A 386 0.005 7.440 -4.801 1.00 0.00 C ATOM 64 OE1 GLU A 386 -0.591 7.231 -5.877 1.00 0.00 O ATOM 65 OE2 GLU A 386 1.060 8.104 -4.734 1.00 0.00 O ATOM 0 H GLU A 386 -4.313 7.797 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 386 -2.508 5.723 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.616 7.145 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -1.933 8.470 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 386 0.087 7.112 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -0.595 5.778 -3.600 1.00 0.00 H new ATOM 72 N ALA A 387 -2.144 8.515 -0.295 1.00 0.00 N ATOM 73 CA ALA A 387 -1.544 9.096 0.900 1.00 0.00 C ATOM 74 C ALA A 387 -1.873 8.262 2.135 1.00 0.00 C ATOM 75 O ALA A 387 -1.011 8.040 2.987 1.00 0.00 O ATOM 76 CB ALA A 387 -2.015 10.530 1.092 1.00 0.00 C ATOM 0 H ALA A 387 -2.828 9.117 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 387 -0.462 9.099 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 387 -1.556 10.947 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 387 -1.727 11.127 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 387 -3.100 10.546 1.198 1.00 0.00 H new ATOM 82 N GLU A 388 -3.109 7.767 2.201 1.00 0.00 N ATOM 83 CA GLU A 388 -3.534 6.907 3.304 1.00 0.00 C ATOM 84 C GLU A 388 -2.655 5.664 3.358 1.00 0.00 C ATOM 85 O GLU A 388 -2.146 5.290 4.415 1.00 0.00 O ATOM 86 CB GLU A 388 -4.998 6.489 3.141 1.00 0.00 C ATOM 87 CG GLU A 388 -5.952 7.651 2.916 1.00 0.00 C ATOM 88 CD GLU A 388 -7.382 7.200 2.698 1.00 0.00 C ATOM 89 OE1 GLU A 388 -7.617 6.337 1.827 1.00 0.00 O ATOM 90 OE2 GLU A 388 -8.285 7.719 3.384 1.00 0.00 O ATOM 0 H GLU A 388 -3.832 7.947 1.504 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.435 7.470 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.077 5.800 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -5.310 5.943 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.913 8.319 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.621 8.225 2.051 1.00 0.00 H new ATOM 97 N CYS A 389 -2.466 5.044 2.201 1.00 0.00 N ATOM 98 CA CYS A 389 -1.649 3.847 2.093 1.00 0.00 C ATOM 99 C CYS A 389 -0.187 4.115 2.449 1.00 0.00 C ATOM 100 O CYS A 389 0.468 3.276 3.054 1.00 0.00 O ATOM 101 CB CYS A 389 -1.749 3.289 0.682 1.00 0.00 C ATOM 102 SG CYS A 389 -3.421 2.732 0.240 1.00 0.00 S ATOM 0 H CYS A 389 -2.872 5.355 1.318 1.00 0.00 H new ATOM 0 HA CYS A 389 -2.028 3.118 2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -1.430 4.054 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -1.057 2.453 0.581 1.00 0.00 H new ATOM 107 N ASN A 390 0.320 5.281 2.059 1.00 0.00 N ATOM 108 CA ASN A 390 1.729 5.638 2.286 1.00 0.00 C ATOM 109 C ASN A 390 2.142 5.522 3.758 1.00 0.00 C ATOM 110 O ASN A 390 3.334 5.479 4.069 1.00 0.00 O ATOM 111 CB ASN A 390 2.018 7.056 1.781 1.00 0.00 C ATOM 112 CG ASN A 390 2.176 7.149 0.269 1.00 0.00 C ATOM 113 OD1 ASN A 390 2.340 8.238 -0.280 1.00 0.00 O ATOM 114 ND2 ASN A 390 2.154 6.019 -0.420 1.00 0.00 N ATOM 0 H ASN A 390 -0.221 6.002 1.582 1.00 0.00 H new ATOM 0 HA ASN A 390 2.322 4.918 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 390 1.208 7.715 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 390 2.928 7.422 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 390 2.275 6.037 -1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 390 2.016 5.131 0.062 1.00 0.00 H new ATOM 121 N LYS A 391 1.167 5.501 4.655 1.00 0.00 N ATOM 122 CA LYS A 391 1.438 5.413 6.084 1.00 0.00 C ATOM 123 C LYS A 391 2.159 4.115 6.466 1.00 0.00 C ATOM 124 O LYS A 391 3.055 4.134 7.313 1.00 0.00 O ATOM 125 CB LYS A 391 0.138 5.525 6.880 1.00 0.00 C ATOM 126 CG LYS A 391 -0.510 6.901 6.816 1.00 0.00 C ATOM 127 CD LYS A 391 -1.861 6.922 7.519 1.00 0.00 C ATOM 128 CE LYS A 391 -1.735 6.606 9.002 1.00 0.00 C ATOM 129 NZ LYS A 391 -3.063 6.506 9.662 1.00 0.00 N ATOM 0 H LYS A 391 0.176 5.544 4.418 1.00 0.00 H new ATOM 0 HA LYS A 391 2.098 6.245 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 391 -0.569 4.784 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 391 0.340 5.278 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 391 0.151 7.636 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 391 -0.638 7.195 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 391 -2.319 7.903 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 391 -2.526 6.198 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 391 -1.195 5.668 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 391 -1.145 7.382 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 -2.934 6.290 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 -3.569 7.410 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 -3.617 5.749 9.214 1.00 0.00 H new ATOM 143 N ILE A 392 1.704 2.980 5.940 1.00 0.00 N ATOM 144 CA ILE A 392 2.242 1.687 6.348 1.00 0.00 C ATOM 145 C ILE A 392 3.706 1.505 5.934 1.00 0.00 C ATOM 146 O ILE A 392 4.120 1.933 4.855 1.00 0.00 O ATOM 147 CB ILE A 392 1.419 0.530 5.769 1.00 0.00 C ATOM 148 CG1 ILE A 392 -0.072 0.733 6.033 1.00 0.00 C ATOM 149 CG2 ILE A 392 1.882 -0.783 6.369 1.00 0.00 C ATOM 150 CD1 ILE A 392 -0.414 1.010 7.485 1.00 0.00 C ATOM 0 H ILE A 392 0.969 2.930 5.235 1.00 0.00 H new ATOM 0 HA ILE A 392 2.183 1.672 7.436 1.00 0.00 H new ATOM 0 HB ILE A 392 1.572 0.506 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 392 -0.428 1.563 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 392 -0.612 -0.156 5.707 1.00 0.00 H new ATOM 0 HG21 ILE A 392 1.293 -1.601 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 392 2.935 -0.939 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 392 1.751 -0.755 7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 392 -1.491 1.142 7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 392 -0.092 0.171 8.101 1.00 0.00 H new ATOM 0 HD13 ILE A 392 0.095 1.917 7.812 1.00 0.00 H new ATOM 162 N THR A 393 4.480 0.851 6.795 1.00 0.00 N ATOM 163 CA THR A 393 5.888 0.597 6.526 1.00 0.00 C ATOM 164 C THR A 393 6.197 -0.902 6.451 1.00 0.00 C ATOM 165 O THR A 393 7.360 -1.296 6.376 1.00 0.00 O ATOM 166 CB THR A 393 6.773 1.240 7.611 1.00 0.00 C ATOM 167 OG1 THR A 393 6.230 0.962 8.910 1.00 0.00 O ATOM 168 CG2 THR A 393 6.881 2.746 7.412 1.00 0.00 C ATOM 0 H THR A 393 4.152 0.486 7.689 1.00 0.00 H new ATOM 0 HA THR A 393 6.109 1.043 5.556 1.00 0.00 H new ATOM 0 HB THR A 393 7.772 0.812 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 393 5.847 0.060 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 393 7.512 3.172 8.193 1.00 0.00 H new ATOM 0 HG22 THR A 393 7.321 2.953 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 393 5.888 3.192 7.464 1.00 0.00 H new ATOM 176 N GLU A 394 5.160 -1.737 6.510 1.00 0.00 N ATOM 177 CA GLU A 394 5.348 -3.189 6.499 1.00 0.00 C ATOM 178 C GLU A 394 4.339 -3.883 5.580 1.00 0.00 C ATOM 179 O GLU A 394 3.160 -3.535 5.567 1.00 0.00 O ATOM 180 CB GLU A 394 5.227 -3.767 7.916 1.00 0.00 C ATOM 181 CG GLU A 394 6.474 -3.596 8.774 1.00 0.00 C ATOM 182 CD GLU A 394 6.523 -2.284 9.540 1.00 0.00 C ATOM 183 OE1 GLU A 394 5.552 -1.503 9.475 1.00 0.00 O ATOM 184 OE2 GLU A 394 7.537 -2.033 10.227 1.00 0.00 O ATOM 0 H GLU A 394 4.187 -1.437 6.566 1.00 0.00 H new ATOM 0 HA GLU A 394 6.351 -3.377 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 394 4.386 -3.290 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 394 4.994 -4.829 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 394 6.530 -4.421 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 394 7.354 -3.665 8.135 1.00 0.00 H new ATOM 191 N GLU A 395 4.828 -4.866 4.824 1.00 0.00 N ATOM 192 CA GLU A 395 4.011 -5.644 3.887 1.00 0.00 C ATOM 193 C GLU A 395 2.740 -6.214 4.544 1.00 0.00 C ATOM 194 O GLU A 395 1.632 -5.922 4.080 1.00 0.00 O ATOM 195 CB GLU A 395 4.896 -6.754 3.271 1.00 0.00 C ATOM 196 CG GLU A 395 4.182 -8.000 2.737 1.00 0.00 C ATOM 197 CD GLU A 395 3.234 -7.751 1.578 1.00 0.00 C ATOM 198 OE1 GLU A 395 2.084 -7.339 1.818 1.00 0.00 O ATOM 199 OE2 GLU A 395 3.629 -7.988 0.419 1.00 0.00 O ATOM 0 H GLU A 395 5.808 -5.148 4.843 1.00 0.00 H new ATOM 0 HA GLU A 395 3.651 -4.985 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 395 5.468 -6.316 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 395 5.613 -7.073 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 395 4.934 -8.724 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.622 -8.457 3.553 1.00 0.00 H new ATOM 206 N PRO A 396 2.855 -6.982 5.656 1.00 0.00 N ATOM 207 CA PRO A 396 1.685 -7.572 6.323 1.00 0.00 C ATOM 208 C PRO A 396 0.599 -6.548 6.637 1.00 0.00 C ATOM 209 O PRO A 396 -0.592 -6.813 6.452 1.00 0.00 O ATOM 210 CB PRO A 396 2.262 -8.145 7.619 1.00 0.00 C ATOM 211 CG PRO A 396 3.689 -8.423 7.307 1.00 0.00 C ATOM 212 CD PRO A 396 4.113 -7.354 6.340 1.00 0.00 C ATOM 0 HA PRO A 396 1.197 -8.311 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 396 2.167 -7.436 8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 396 1.738 -9.053 7.918 1.00 0.00 H new ATOM 0 HG2 PRO A 396 4.299 -8.397 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 396 3.808 -9.415 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 396 4.556 -6.501 6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 396 4.858 -7.724 5.635 1.00 0.00 H new ATOM 220 N LYS A 397 1.015 -5.381 7.110 1.00 0.00 N ATOM 221 CA LYS A 397 0.084 -4.327 7.482 1.00 0.00 C ATOM 222 C LYS A 397 -0.455 -3.590 6.255 1.00 0.00 C ATOM 223 O LYS A 397 -1.620 -3.204 6.222 1.00 0.00 O ATOM 224 CB LYS A 397 0.767 -3.337 8.427 1.00 0.00 C ATOM 225 CG LYS A 397 1.266 -3.972 9.712 1.00 0.00 C ATOM 226 CD LYS A 397 1.888 -2.946 10.643 1.00 0.00 C ATOM 227 CE LYS A 397 2.273 -3.569 11.975 1.00 0.00 C ATOM 228 NZ LYS A 397 1.099 -4.165 12.670 1.00 0.00 N ATOM 0 H LYS A 397 1.997 -5.141 7.245 1.00 0.00 H new ATOM 0 HA LYS A 397 -0.761 -4.793 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 397 1.607 -2.874 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 397 0.066 -2.540 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 397 0.438 -4.467 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 397 2.001 -4.741 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 397 2.771 -2.514 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 397 1.185 -2.130 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 397 3.027 -4.339 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 397 2.726 -2.810 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 1.125 -3.908 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 0.222 -3.804 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 1.129 -5.200 12.576 1.00 0.00 H new ATOM 242 N CYS A 398 0.419 -3.322 5.297 1.00 0.00 N ATOM 243 CA CYS A 398 0.060 -2.530 4.122 1.00 0.00 C ATOM 244 C CYS A 398 -1.040 -3.199 3.314 1.00 0.00 C ATOM 245 O CYS A 398 -2.083 -2.604 3.054 1.00 0.00 O ATOM 246 CB CYS A 398 1.283 -2.333 3.231 1.00 0.00 C ATOM 247 SG CYS A 398 0.961 -1.344 1.740 1.00 0.00 S ATOM 0 H CYS A 398 1.388 -3.641 5.307 1.00 0.00 H new ATOM 0 HA CYS A 398 -0.306 -1.566 4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 398 2.069 -1.850 3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 398 1.663 -3.310 2.931 1.00 0.00 H new ATOM 252 N SER A 399 -0.804 -4.444 2.930 1.00 0.00 N ATOM 253 CA SER A 399 -1.763 -5.198 2.140 1.00 0.00 C ATOM 254 C SER A 399 -3.032 -5.483 2.943 1.00 0.00 C ATOM 255 O SER A 399 -4.107 -5.689 2.379 1.00 0.00 O ATOM 256 CB SER A 399 -1.111 -6.487 1.648 1.00 0.00 C ATOM 257 OG SER A 399 -0.001 -6.192 0.815 1.00 0.00 O ATOM 0 H SER A 399 0.049 -4.956 3.155 1.00 0.00 H new ATOM 0 HA SER A 399 -2.061 -4.605 1.275 1.00 0.00 H new ATOM 0 HB2 SER A 399 -0.786 -7.086 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 399 -1.839 -7.083 1.098 1.00 0.00 H new ATOM 0 HG SER A 399 0.830 -6.389 1.295 1.00 0.00 H new ATOM 263 N GLU A 400 -2.910 -5.389 4.263 1.00 0.00 N ATOM 264 CA GLU A 400 -4.048 -5.529 5.162 1.00 0.00 C ATOM 265 C GLU A 400 -4.972 -4.314 5.052 1.00 0.00 C ATOM 266 O GLU A 400 -6.169 -4.402 5.326 1.00 0.00 O ATOM 267 CB GLU A 400 -3.561 -5.682 6.606 1.00 0.00 C ATOM 268 CG GLU A 400 -4.669 -5.945 7.614 1.00 0.00 C ATOM 269 CD GLU A 400 -5.264 -7.330 7.490 1.00 0.00 C ATOM 270 OE1 GLU A 400 -5.827 -7.657 6.426 1.00 0.00 O ATOM 271 OE2 GLU A 400 -5.169 -8.111 8.462 1.00 0.00 O ATOM 0 H GLU A 400 -2.024 -5.215 4.737 1.00 0.00 H new ATOM 0 HA GLU A 400 -4.607 -6.420 4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.843 -6.501 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.029 -4.776 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.275 -5.814 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.457 -5.204 7.481 1.00 0.00 H new ATOM 278 N GLU A 401 -4.400 -3.166 4.688 1.00 0.00 N ATOM 279 CA GLU A 401 -5.156 -1.918 4.597 1.00 0.00 C ATOM 280 C GLU A 401 -6.035 -1.861 3.346 1.00 0.00 C ATOM 281 O GLU A 401 -6.249 -0.787 2.781 1.00 0.00 O ATOM 282 CB GLU A 401 -4.211 -0.713 4.631 1.00 0.00 C ATOM 283 CG GLU A 401 -3.537 -0.513 5.975 1.00 0.00 C ATOM 284 CD GLU A 401 -4.537 -0.420 7.108 1.00 0.00 C ATOM 285 OE1 GLU A 401 -5.286 0.577 7.165 1.00 0.00 O ATOM 286 OE2 GLU A 401 -4.601 -1.358 7.930 1.00 0.00 O ATOM 0 H GLU A 401 -3.412 -3.075 4.451 1.00 0.00 H new ATOM 0 HA GLU A 401 -5.817 -1.883 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 401 -3.446 -0.839 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 401 -4.772 0.186 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 401 -2.853 -1.341 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 401 -2.937 0.396 5.947 1.00 0.00 H new ATOM 293 N LYS A 402 -6.671 -2.987 3.042 1.00 0.00 N ATOM 294 CA LYS A 402 -7.688 -3.074 1.996 1.00 0.00 C ATOM 295 C LYS A 402 -7.186 -2.566 0.637 1.00 0.00 C ATOM 296 O LYS A 402 -6.593 -3.322 -0.135 1.00 0.00 O ATOM 297 CB LYS A 402 -8.950 -2.320 2.437 1.00 0.00 C ATOM 298 CG LYS A 402 -9.524 -2.810 3.755 1.00 0.00 C ATOM 299 CD LYS A 402 -9.987 -4.255 3.680 1.00 0.00 C ATOM 300 CE LYS A 402 -10.513 -4.729 5.026 1.00 0.00 C ATOM 301 NZ LYS A 402 -11.589 -3.839 5.546 1.00 0.00 N ATOM 0 H LYS A 402 -6.495 -3.872 3.517 1.00 0.00 H new ATOM 0 HA LYS A 402 -7.928 -4.128 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -8.717 -1.259 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -9.710 -2.416 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -8.770 -2.712 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -10.363 -2.176 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -10.768 -4.352 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -9.159 -4.890 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -10.897 -5.744 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -9.693 -4.766 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -12.081 -4.312 6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -11.170 -2.950 5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -12.268 -3.634 4.785 1.00 0.00 H new ATOM 315 N ILE A 403 -7.478 -1.304 0.329 1.00 0.00 N ATOM 316 CA ILE A 403 -7.147 -0.703 -0.957 1.00 0.00 C ATOM 317 C ILE A 403 -5.645 -0.382 -1.059 1.00 0.00 C ATOM 318 O ILE A 403 -5.155 0.102 -2.086 1.00 0.00 O ATOM 319 CB ILE A 403 -8.027 0.557 -1.173 1.00 0.00 C ATOM 320 CG1 ILE A 403 -8.719 0.502 -2.544 1.00 0.00 C ATOM 321 CG2 ILE A 403 -7.242 1.853 -0.997 1.00 0.00 C ATOM 322 CD1 ILE A 403 -7.778 0.366 -3.719 1.00 0.00 C ATOM 0 H ILE A 403 -7.953 -0.668 0.969 1.00 0.00 H new ATOM 0 HA ILE A 403 -7.360 -1.417 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 403 -8.794 0.555 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 403 -9.413 -0.338 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 403 -9.312 1.407 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 403 -7.904 2.704 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 403 -6.834 1.897 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 403 -6.426 1.885 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 403 -8.353 0.335 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 403 -7.099 1.219 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 403 -7.202 -0.554 -3.619 1.00 0.00 H new ATOM 334 N CYS A 404 -4.906 -0.783 -0.043 1.00 0.00 N ATOM 335 CA CYS A 404 -3.462 -0.648 -0.043 1.00 0.00 C ATOM 336 C CYS A 404 -2.800 -1.999 -0.302 1.00 0.00 C ATOM 337 O CYS A 404 -3.345 -3.045 0.061 1.00 0.00 O ATOM 338 CB CYS A 404 -2.998 -0.070 1.291 1.00 0.00 C ATOM 339 SG CYS A 404 -3.872 1.460 1.752 1.00 0.00 S ATOM 0 H CYS A 404 -5.287 -1.209 0.802 1.00 0.00 H new ATOM 0 HA CYS A 404 -3.169 0.032 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -3.145 -0.815 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -1.928 0.132 1.240 1.00 0.00 H new ATOM 344 N SER A 405 -1.665 -1.982 -0.985 1.00 0.00 N ATOM 345 CA SER A 405 -0.954 -3.206 -1.325 1.00 0.00 C ATOM 346 C SER A 405 0.544 -2.941 -1.414 1.00 0.00 C ATOM 347 O SER A 405 0.963 -1.821 -1.714 1.00 0.00 O ATOM 348 CB SER A 405 -1.485 -3.778 -2.641 1.00 0.00 C ATOM 349 OG SER A 405 -2.863 -4.096 -2.526 1.00 0.00 O ATOM 0 H SER A 405 -1.214 -1.129 -1.316 1.00 0.00 H new ATOM 0 HA SER A 405 -1.123 -3.942 -0.539 1.00 0.00 H new ATOM 0 HB2 SER A 405 -1.339 -3.055 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 405 -0.921 -4.671 -2.910 1.00 0.00 H new ATOM 0 HG SER A 405 -2.993 -5.052 -2.696 1.00 0.00 H new ATOM 355 N TRP A 406 1.327 -3.910 -0.958 1.00 0.00 N ATOM 356 CA TRP A 406 2.763 -3.725 -0.800 1.00 0.00 C ATOM 357 C TRP A 406 3.492 -3.628 -2.138 1.00 0.00 C ATOM 358 O TRP A 406 3.074 -4.193 -3.148 1.00 0.00 O ATOM 359 CB TRP A 406 3.355 -4.862 0.025 1.00 0.00 C ATOM 360 CG TRP A 406 4.703 -4.551 0.604 1.00 0.00 C ATOM 361 CD1 TRP A 406 5.866 -5.237 0.403 1.00 0.00 C ATOM 362 CD2 TRP A 406 5.021 -3.492 1.510 1.00 0.00 C ATOM 363 NE1 TRP A 406 6.885 -4.660 1.111 1.00 0.00 N ATOM 364 CE2 TRP A 406 6.392 -3.592 1.806 1.00 0.00 C ATOM 365 CE3 TRP A 406 4.282 -2.472 2.100 1.00 0.00 C ATOM 366 CZ2 TRP A 406 7.031 -2.709 2.663 1.00 0.00 C ATOM 367 CZ3 TRP A 406 4.917 -1.596 2.953 1.00 0.00 C ATOM 368 CH2 TRP A 406 6.278 -1.723 3.228 1.00 0.00 C ATOM 0 H TRP A 406 0.990 -4.835 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 406 2.904 -2.777 -0.280 1.00 0.00 H new ATOM 0 HB2 TRP A 406 2.669 -5.105 0.836 1.00 0.00 H new ATOM 0 HB3 TRP A 406 3.435 -5.750 -0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 406 5.967 -6.110 -0.225 1.00 0.00 H new ATOM 0 HE1 TRP A 406 7.855 -4.976 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 406 3.227 -2.368 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 406 8.086 -2.799 2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 406 4.353 -0.800 3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 406 6.747 -1.024 3.905 1.00 0.00 H new ATOM 379 N HIS A 407 4.585 -2.893 -2.109 1.00 0.00 N ATOM 380 CA HIS A 407 5.416 -2.630 -3.268 1.00 0.00 C ATOM 381 C HIS A 407 6.844 -3.081 -2.953 1.00 0.00 C ATOM 382 O HIS A 407 7.710 -2.249 -2.690 1.00 0.00 O ATOM 383 CB HIS A 407 5.384 -1.125 -3.545 1.00 0.00 C ATOM 384 CG HIS A 407 5.674 -0.710 -4.948 1.00 0.00 C ATOM 385 ND1 HIS A 407 6.774 -1.127 -5.653 1.00 0.00 N ATOM 386 CD2 HIS A 407 5.008 0.142 -5.764 1.00 0.00 C ATOM 387 CE1 HIS A 407 6.775 -0.557 -6.839 1.00 0.00 C ATOM 388 NE2 HIS A 407 5.711 0.217 -6.936 1.00 0.00 N ATOM 0 H HIS A 407 4.929 -2.450 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 407 5.055 -3.169 -4.144 1.00 0.00 H new ATOM 0 HB2 HIS A 407 4.399 -0.747 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 407 6.105 -0.640 -2.888 1.00 0.00 H new ATOM 0 HD1 HIS A 407 7.481 -1.778 -5.311 1.00 0.00 H new ATOM 0 HD2 HIS A 407 4.092 0.665 -5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 407 7.522 -0.699 -7.605 1.00 0.00 H new ATOM 397 N LYS A 408 7.010 -4.395 -2.776 1.00 0.00 N ATOM 398 CA LYS A 408 8.266 -4.983 -2.277 1.00 0.00 C ATOM 399 C LYS A 408 9.506 -4.365 -2.924 1.00 0.00 C ATOM 400 O LYS A 408 10.425 -3.917 -2.232 1.00 0.00 O ATOM 401 CB LYS A 408 8.277 -6.494 -2.537 1.00 0.00 C ATOM 402 CG LYS A 408 7.174 -7.252 -1.821 1.00 0.00 C ATOM 403 CD LYS A 408 7.195 -8.729 -2.173 1.00 0.00 C ATOM 404 CE LYS A 408 6.108 -9.488 -1.433 1.00 0.00 C ATOM 405 NZ LYS A 408 4.751 -8.960 -1.731 1.00 0.00 N ATOM 0 H LYS A 408 6.283 -5.083 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 408 8.305 -4.774 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 408 8.187 -6.668 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 408 9.241 -6.898 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS A 408 7.289 -7.132 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 408 6.206 -6.827 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 408 7.059 -8.851 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 408 8.169 -9.150 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 408 6.154 -10.542 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 408 6.292 -9.428 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 4.068 -9.744 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 4.477 -8.274 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 4.757 -8.491 -2.659 1.00 0.00 H new ATOM 419 N GLU A 409 9.535 -4.354 -4.245 1.00 0.00 N ATOM 420 CA GLU A 409 10.657 -3.790 -4.975 1.00 0.00 C ATOM 421 C GLU A 409 10.276 -2.418 -5.500 1.00 0.00 C ATOM 422 O GLU A 409 9.187 -2.249 -6.041 1.00 0.00 O ATOM 423 CB GLU A 409 11.041 -4.705 -6.138 1.00 0.00 C ATOM 424 CG GLU A 409 12.442 -4.468 -6.673 1.00 0.00 C ATOM 425 CD GLU A 409 13.517 -4.924 -5.708 1.00 0.00 C ATOM 426 OE1 GLU A 409 13.629 -4.340 -4.609 1.00 0.00 O ATOM 427 OE2 GLU A 409 14.251 -5.879 -6.041 1.00 0.00 O ATOM 0 H GLU A 409 8.793 -4.730 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 409 11.513 -3.698 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 409 10.958 -5.742 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.325 -4.566 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 409 12.560 -4.996 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 409 12.573 -3.406 -6.882 1.00 0.00 H new ATOM 434 N VAL A 410 11.138 -1.432 -5.307 1.00 0.00 N ATOM 435 CA VAL A 410 10.841 -0.081 -5.755 1.00 0.00 C ATOM 436 C VAL A 410 11.916 0.438 -6.704 1.00 0.00 C ATOM 437 O VAL A 410 13.113 0.359 -6.416 1.00 0.00 O ATOM 438 CB VAL A 410 10.677 0.897 -4.567 1.00 0.00 C ATOM 439 CG1 VAL A 410 9.500 0.488 -3.701 1.00 0.00 C ATOM 440 CG2 VAL A 410 11.943 0.976 -3.726 1.00 0.00 C ATOM 0 H VAL A 410 12.042 -1.540 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 410 9.893 -0.132 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 410 10.488 1.887 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 410 9.399 1.187 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 410 8.588 0.500 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 410 9.666 -0.517 -3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 410 11.789 1.672 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 410 12.178 -0.011 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 410 12.770 1.324 -4.345 1.00 0.00 H new ATOM 450 N LYS A 411 11.482 0.950 -7.843 1.00 0.00 N ATOM 451 CA LYS A 411 12.396 1.495 -8.831 1.00 0.00 C ATOM 452 C LYS A 411 12.781 2.920 -8.453 1.00 0.00 C ATOM 453 O LYS A 411 11.916 3.792 -8.347 1.00 0.00 O ATOM 454 CB LYS A 411 11.755 1.476 -10.222 1.00 0.00 C ATOM 455 CG LYS A 411 12.690 1.915 -11.340 1.00 0.00 C ATOM 456 CD LYS A 411 13.717 0.845 -11.665 1.00 0.00 C ATOM 457 CE LYS A 411 14.664 1.296 -12.761 1.00 0.00 C ATOM 458 NZ LYS A 411 15.532 0.187 -13.233 1.00 0.00 N ATOM 0 H LYS A 411 10.498 0.999 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 411 13.294 0.877 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 411 11.400 0.467 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.881 2.127 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 411 12.108 2.144 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 411 13.200 2.833 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 411 14.287 0.602 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS A 411 13.207 -0.067 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 411 14.089 1.689 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 411 15.286 2.111 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 16.164 0.536 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 16.100 -0.171 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 14.940 -0.581 -13.610 1.00 0.00 H new ATOM 472 N ALA A 412 14.079 3.156 -8.312 1.00 0.00 N ATOM 473 CA ALA A 412 14.610 4.479 -8.010 1.00 0.00 C ATOM 474 C ALA A 412 13.924 5.115 -6.801 1.00 0.00 C ATOM 475 O ALA A 412 13.678 6.322 -6.773 1.00 0.00 O ATOM 476 CB ALA A 412 14.491 5.361 -9.236 1.00 0.00 C ATOM 0 H ALA A 412 14.794 2.435 -8.404 1.00 0.00 H new ATOM 0 HA ALA A 412 15.662 4.372 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 412 14.888 6.351 -9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 412 15.057 4.921 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 412 13.443 5.447 -9.522 1.00 0.00 H new ATOM 482 N GLY A 413 13.696 4.308 -5.772 1.00 0.00 N ATOM 483 CA GLY A 413 13.129 4.818 -4.538 1.00 0.00 C ATOM 484 C GLY A 413 11.657 5.180 -4.651 1.00 0.00 C ATOM 485 O GLY A 413 11.253 6.277 -4.259 1.00 0.00 O ATOM 0 H GLY A 413 13.894 3.307 -5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 413 13.252 4.070 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 413 13.689 5.700 -4.227 1.00 0.00 H new ATOM 489 N GLU A 414 10.841 4.234 -5.104 1.00 0.00 N ATOM 490 CA GLU A 414 9.391 4.424 -5.120 1.00 0.00 C ATOM 491 C GLU A 414 8.827 4.243 -3.711 1.00 0.00 C ATOM 492 O GLU A 414 9.583 4.084 -2.752 1.00 0.00 O ATOM 493 CB GLU A 414 8.719 3.435 -6.076 1.00 0.00 C ATOM 494 CG GLU A 414 8.959 3.730 -7.546 1.00 0.00 C ATOM 495 CD GLU A 414 8.332 5.033 -7.998 1.00 0.00 C ATOM 496 OE1 GLU A 414 8.768 6.109 -7.539 1.00 0.00 O ATOM 497 OE2 GLU A 414 7.386 4.988 -8.810 1.00 0.00 O ATOM 0 H GLU A 414 11.154 3.332 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 414 9.183 5.436 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 414 9.080 2.431 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 414 7.645 3.437 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 414 10.032 3.765 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.558 2.913 -8.145 1.00 0.00 H new ATOM 504 N LYS A 415 7.512 4.138 -3.602 1.00 0.00 N ATOM 505 CA LYS A 415 6.884 3.845 -2.322 1.00 0.00 C ATOM 506 C LYS A 415 6.735 2.347 -2.156 1.00 0.00 C ATOM 507 O LYS A 415 6.577 1.633 -3.141 1.00 0.00 O ATOM 508 CB LYS A 415 5.513 4.518 -2.223 1.00 0.00 C ATOM 509 CG LYS A 415 5.586 6.023 -2.045 1.00 0.00 C ATOM 510 CD LYS A 415 6.074 6.395 -0.655 1.00 0.00 C ATOM 511 CE LYS A 415 6.344 7.889 -0.535 1.00 0.00 C ATOM 512 NZ LYS A 415 5.143 8.711 -0.850 1.00 0.00 N ATOM 0 H LYS A 415 6.861 4.250 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 415 7.518 4.237 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 415 4.942 4.295 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 415 4.966 4.088 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 415 6.256 6.447 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 415 4.602 6.459 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 415 5.329 6.099 0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 415 6.985 5.841 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 415 6.680 8.114 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 415 7.156 8.164 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 5.311 9.696 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 4.957 8.676 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 4.321 8.335 -0.336 1.00 0.00 H new ATOM 526 N ASN A 416 6.765 1.875 -0.922 1.00 0.00 N ATOM 527 CA ASN A 416 6.545 0.463 -0.655 1.00 0.00 C ATOM 528 C ASN A 416 5.083 0.214 -0.321 1.00 0.00 C ATOM 529 O ASN A 416 4.557 -0.861 -0.565 1.00 0.00 O ATOM 530 CB ASN A 416 7.433 -0.066 0.473 1.00 0.00 C ATOM 531 CG ASN A 416 8.878 -0.257 0.054 1.00 0.00 C ATOM 532 OD1 ASN A 416 9.573 0.699 -0.282 1.00 0.00 O ATOM 533 ND2 ASN A 416 9.345 -1.497 0.077 1.00 0.00 N ATOM 0 H ASN A 416 6.938 2.444 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 416 6.815 -0.078 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN A 416 7.393 0.627 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 416 7.034 -1.017 0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 416 10.312 -1.683 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 416 8.738 -2.265 0.362 1.00 0.00 H new ATOM 540 N CYS A 417 4.418 1.212 0.222 1.00 0.00 N ATOM 541 CA CYS A 417 2.998 1.093 0.494 1.00 0.00 C ATOM 542 C CYS A 417 2.249 2.221 -0.185 1.00 0.00 C ATOM 543 O CYS A 417 2.591 3.390 -0.016 1.00 0.00 O ATOM 544 CB CYS A 417 2.730 1.105 1.990 1.00 0.00 C ATOM 545 SG CYS A 417 1.048 0.559 2.426 1.00 0.00 S ATOM 0 H CYS A 417 4.831 2.107 0.482 1.00 0.00 H new ATOM 0 HA CYS A 417 2.647 0.141 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 417 3.454 0.459 2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 417 2.887 2.114 2.372 1.00 0.00 H new ATOM 550 N GLN A 418 1.288 1.868 -1.026 1.00 0.00 N ATOM 551 CA GLN A 418 0.575 2.855 -1.817 1.00 0.00 C ATOM 552 C GLN A 418 -0.703 2.266 -2.388 1.00 0.00 C ATOM 553 O GLN A 418 -0.982 1.076 -2.225 1.00 0.00 O ATOM 554 CB GLN A 418 1.459 3.398 -2.953 1.00 0.00 C ATOM 555 CG GLN A 418 1.815 2.379 -4.023 1.00 0.00 C ATOM 556 CD GLN A 418 2.724 1.308 -3.500 1.00 0.00 C ATOM 557 OE1 GLN A 418 3.831 1.582 -3.058 1.00 0.00 O ATOM 558 NE2 GLN A 418 2.250 0.083 -3.522 1.00 0.00 N ATOM 0 H GLN A 418 0.986 0.906 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 418 0.315 3.683 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 418 0.946 4.236 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 418 2.381 3.790 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 418 0.902 1.924 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 418 2.296 2.885 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 418 1.320 -0.097 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 418 2.812 -0.688 -3.160 1.00 0.00 H new ATOM 567 N PHE A 419 -1.486 3.132 -3.006 1.00 0.00 N ATOM 568 CA PHE A 419 -2.758 2.759 -3.604 1.00 0.00 C ATOM 569 C PHE A 419 -2.558 1.639 -4.620 1.00 0.00 C ATOM 570 O PHE A 419 -1.701 1.746 -5.500 1.00 0.00 O ATOM 571 CB PHE A 419 -3.348 3.987 -4.297 1.00 0.00 C ATOM 572 CG PHE A 419 -4.808 3.882 -4.600 1.00 0.00 C ATOM 573 CD1 PHE A 419 -5.716 3.676 -3.584 1.00 0.00 C ATOM 574 CD2 PHE A 419 -5.269 4.009 -5.899 1.00 0.00 C ATOM 575 CE1 PHE A 419 -7.069 3.594 -3.857 1.00 0.00 C ATOM 576 CE2 PHE A 419 -6.618 3.925 -6.179 1.00 0.00 C ATOM 577 CZ PHE A 419 -7.519 3.720 -5.155 1.00 0.00 C ATOM 0 H PHE A 419 -1.257 4.121 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 419 -3.436 2.403 -2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -3.182 4.860 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -2.807 4.159 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -5.368 3.578 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -4.566 4.176 -6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 419 -7.773 3.431 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -6.967 4.019 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 419 -8.576 3.658 -5.369 1.00 0.00 H new ATOM 587 N ASN A 420 -3.298 0.543 -4.474 1.00 0.00 N ATOM 588 CA ASN A 420 -3.135 -0.591 -5.381 1.00 0.00 C ATOM 589 C ASN A 420 -3.874 -0.362 -6.692 1.00 0.00 C ATOM 590 O ASN A 420 -3.592 -1.026 -7.689 1.00 0.00 O ATOM 591 CB ASN A 420 -3.560 -1.923 -4.746 1.00 0.00 C ATOM 592 CG ASN A 420 -5.024 -2.003 -4.346 1.00 0.00 C ATOM 593 OD1 ASN A 420 -5.922 -1.621 -5.096 1.00 0.00 O ATOM 594 ND2 ASN A 420 -5.276 -2.576 -3.183 1.00 0.00 N ATOM 0 H ASN A 420 -4.005 0.416 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 420 -2.068 -0.663 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -3.346 -2.728 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.947 -2.099 -3.862 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -6.240 -2.714 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -4.506 -2.880 -2.587 1.00 0.00 H new ATOM 601 N SER A 421 -4.795 0.596 -6.680 1.00 0.00 N ATOM 602 CA SER A 421 -5.561 0.965 -7.866 1.00 0.00 C ATOM 603 C SER A 421 -6.477 -0.180 -8.301 1.00 0.00 C ATOM 604 O SER A 421 -6.112 -1.008 -9.136 1.00 0.00 O ATOM 605 CB SER A 421 -4.618 1.384 -9.007 1.00 0.00 C ATOM 606 OG SER A 421 -5.330 1.952 -10.096 1.00 0.00 O ATOM 0 H SER A 421 -5.032 1.138 -5.849 1.00 0.00 H new ATOM 0 HA SER A 421 -6.192 1.818 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 421 -3.891 2.105 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 421 -4.057 0.516 -9.353 1.00 0.00 H new ATOM 0 HG SER A 421 -4.699 2.208 -10.801 1.00 0.00 H new ATOM 612 N THR A 422 -7.693 -0.172 -7.757 1.00 0.00 N ATOM 613 CA THR A 422 -8.758 -1.126 -8.101 1.00 0.00 C ATOM 614 C THR A 422 -8.350 -2.602 -7.981 1.00 0.00 C ATOM 615 O THR A 422 -9.099 -3.478 -8.409 1.00 0.00 O ATOM 616 CB THR A 422 -9.342 -0.864 -9.513 1.00 0.00 C ATOM 617 OG1 THR A 422 -8.301 -0.757 -10.494 1.00 0.00 O ATOM 618 CG2 THR A 422 -10.176 0.407 -9.522 1.00 0.00 C ATOM 0 H THR A 422 -7.975 0.508 -7.051 1.00 0.00 H new ATOM 0 HA THR A 422 -9.527 -0.946 -7.350 1.00 0.00 H new ATOM 0 HB THR A 422 -9.976 -1.713 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 422 -7.494 -1.204 -10.164 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.576 0.572 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.999 0.307 -8.814 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.552 1.254 -9.237 1.00 0.00 H new ATOM 626 N LYS A 423 -7.288 -2.891 -7.233 1.00 0.00 N ATOM 627 CA LYS A 423 -6.950 -4.278 -6.928 1.00 0.00 C ATOM 628 C LYS A 423 -7.835 -4.780 -5.796 1.00 0.00 C ATOM 629 O LYS A 423 -8.342 -5.900 -5.832 1.00 0.00 O ATOM 630 CB LYS A 423 -5.474 -4.434 -6.553 1.00 0.00 C ATOM 631 CG LYS A 423 -5.116 -5.853 -6.142 1.00 0.00 C ATOM 632 CD LYS A 423 -3.653 -5.991 -5.756 1.00 0.00 C ATOM 633 CE LYS A 423 -3.342 -7.414 -5.325 1.00 0.00 C ATOM 634 NZ LYS A 423 -1.908 -7.605 -4.989 1.00 0.00 N ATOM 0 H LYS A 423 -6.657 -2.197 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 423 -7.124 -4.874 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -4.856 -4.140 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -5.238 -3.753 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.741 -6.154 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -5.338 -6.534 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -3.022 -5.716 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -3.419 -5.301 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -3.952 -7.670 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -3.619 -8.101 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.747 -8.591 -4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.324 -7.388 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.647 -6.970 -4.208 1.00 0.00 H new ATOM 648 N ALA A 424 -8.080 -3.906 -4.831 1.00 0.00 N ATOM 649 CA ALA A 424 -8.995 -4.212 -3.741 1.00 0.00 C ATOM 650 C ALA A 424 -10.431 -4.167 -4.245 1.00 0.00 C ATOM 651 O ALA A 424 -11.276 -4.962 -3.836 1.00 0.00 O ATOM 652 CB ALA A 424 -8.804 -3.236 -2.592 1.00 0.00 C ATOM 0 H ALA A 424 -7.658 -2.979 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 424 -8.780 -5.215 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -9.497 -3.481 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -7.781 -3.304 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -8.997 -2.221 -2.940 1.00 0.00 H new ATOM 658 N SER A 425 -10.696 -3.199 -5.110 1.00 0.00 N ATOM 659 CA SER A 425 -12.021 -2.991 -5.665 1.00 0.00 C ATOM 660 C SER A 425 -12.438 -4.165 -6.553 1.00 0.00 C ATOM 661 O SER A 425 -13.561 -4.667 -6.444 1.00 0.00 O ATOM 662 CB SER A 425 -12.021 -1.690 -6.464 1.00 0.00 C ATOM 663 OG SER A 425 -11.324 -0.673 -5.759 1.00 0.00 O ATOM 0 H SER A 425 -9.997 -2.537 -5.446 1.00 0.00 H new ATOM 0 HA SER A 425 -12.743 -2.925 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 425 -11.554 -1.853 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 425 -13.046 -1.372 -6.653 1.00 0.00 H new ATOM 0 HG SER A 425 -11.332 0.154 -6.285 1.00 0.00 H new ATOM 669 N LYS A 426 -11.517 -4.599 -7.417 1.00 0.00 N ATOM 670 CA LYS A 426 -11.754 -5.715 -8.331 1.00 0.00 C ATOM 671 C LYS A 426 -12.957 -5.447 -9.234 1.00 0.00 C ATOM 672 O LYS A 426 -13.016 -4.406 -9.893 1.00 0.00 O ATOM 673 CB LYS A 426 -11.926 -7.028 -7.559 1.00 0.00 C ATOM 674 CG LYS A 426 -10.633 -7.535 -6.948 1.00 0.00 C ATOM 675 CD LYS A 426 -10.842 -8.817 -6.165 1.00 0.00 C ATOM 676 CE LYS A 426 -9.525 -9.367 -5.641 1.00 0.00 C ATOM 677 NZ LYS A 426 -8.842 -8.412 -4.728 1.00 0.00 N ATOM 0 H LYS A 426 -10.588 -4.186 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 426 -10.877 -5.813 -8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -12.662 -6.883 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -12.325 -7.788 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -9.901 -7.707 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -10.218 -6.771 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -11.518 -8.630 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -11.321 -9.560 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -9.708 -10.303 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -8.869 -9.597 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -7.993 -8.860 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -8.567 -7.561 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -9.488 -8.146 -3.957 1.00 0.00 H new ATOM 691 N SER A 427 -13.882 -6.407 -9.290 1.00 0.00 N ATOM 692 CA SER A 427 -15.054 -6.311 -10.150 1.00 0.00 C ATOM 693 C SER A 427 -14.632 -6.198 -11.613 1.00 0.00 C ATOM 694 O SER A 427 -13.751 -6.981 -12.028 1.00 0.00 O ATOM 695 CB SER A 427 -15.925 -5.124 -9.733 1.00 0.00 C ATOM 696 OG SER A 427 -16.266 -5.218 -8.356 1.00 0.00 O ATOM 697 OXT SER A 427 -15.163 -5.333 -12.339 1.00 0.00 O ATOM 0 H SER A 427 -13.837 -7.266 -8.742 1.00 0.00 H new ATOM 0 HA SER A 427 -15.647 -7.219 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 427 -15.393 -4.191 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 427 -16.832 -5.100 -10.338 1.00 0.00 H new ATOM 0 HG SER A 427 -15.465 -5.073 -7.810 1.00 0.00 H new TER 703 SER A 427