USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 480 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 427 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc=-0.000949 USER MOD Set 2.1: A 390 TYR OH : rot -163:sc= 0.366 USER MOD Set 2.2: A 402 HIS : no HE2:sc= -0.582 K(o=-0.22,f=-2.2!) USER MOD Single : A 388 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0579) USER MOD Single : A 393 TYR OH : rot -108:sc= 0.284 USER MOD Single : A 396 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.1) USER MOD Single : A 398 TYR OH : rot -27:sc= -3.87! USER MOD Single : A 399 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.33) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= 0.309 K(o=0.31,f=-3.5!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN :FLIP amide:sc= -3.96! C(o=-7!,f=-4!) USER MOD Single : A 410 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0141) USER MOD Single : A 411 SER OG : rot 180:sc= -1.96! USER MOD Single : A 417 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-10!) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0557) USER MOD Single : A 426 GLN :FLIP amide:sc= -0.0359 F(o=-1.2!,f=-0.036) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -161:sc= -0.0727 (180deg=-0.494) USER MOD Single : A 434 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.6) USER MOD Single : A 437 SER OG : rot 89:sc= 0.504 USER MOD Single : A 439 THR OG1 : rot -11:sc= 0.0979 USER MOD Single : A 446 LYS NZ :NH3+ 143:sc= -1.83! (180deg=-3.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 14.843 -0.540 -7.702 1.00 0.00 N ATOM 2 CA LEU A 386 13.896 -0.145 -6.684 1.00 0.00 C ATOM 3 C LEU A 386 14.520 -0.055 -5.287 1.00 0.00 C ATOM 4 O LEU A 386 15.146 0.951 -4.951 1.00 0.00 O ATOM 5 CB LEU A 386 12.688 -1.082 -6.691 1.00 0.00 C ATOM 6 CG LEU A 386 11.710 -0.837 -7.840 1.00 0.00 C ATOM 7 CD1 LEU A 386 12.326 -1.209 -9.174 1.00 0.00 C ATOM 8 CD2 LEU A 386 10.410 -1.588 -7.618 1.00 0.00 C ATOM 0 HA LEU A 386 13.564 0.864 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 386 13.042 -2.112 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 386 12.155 -0.976 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 386 11.485 0.229 -7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 386 11.606 -1.024 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 386 13.218 -0.606 -9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 386 12.597 -2.265 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 386 9.732 -1.396 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 386 10.614 -2.657 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 386 9.949 -1.251 -6.690 1.00 0.00 H new ATOM 20 N ARG A 387 14.341 -1.102 -4.475 1.00 0.00 N ATOM 21 CA ARG A 387 14.773 -1.109 -3.079 1.00 0.00 C ATOM 22 C ARG A 387 14.248 0.100 -2.310 1.00 0.00 C ATOM 23 O ARG A 387 14.717 0.434 -1.222 1.00 0.00 O ATOM 24 CB ARG A 387 16.288 -1.188 -3.004 1.00 0.00 C ATOM 25 CG ARG A 387 16.865 -2.579 -3.220 1.00 0.00 C ATOM 26 CD ARG A 387 16.896 -2.966 -4.691 1.00 0.00 C ATOM 27 NE ARG A 387 17.836 -2.143 -5.457 1.00 0.00 N ATOM 28 CZ ARG A 387 18.571 -2.601 -6.470 1.00 0.00 C ATOM 29 NH1 ARG A 387 18.488 -3.878 -6.826 1.00 0.00 N ATOM 30 NH2 ARG A 387 19.398 -1.785 -7.115 1.00 0.00 N ATOM 0 H ARG A 387 13.891 -1.969 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 387 14.349 -1.993 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.710 -0.515 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 387 16.609 -0.824 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 387 17.876 -2.618 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 387 16.271 -3.307 -2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 387 17.175 -4.016 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.897 -2.863 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 387 17.934 -1.161 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 387 17.862 -4.508 -6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 387 19.050 -4.229 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 387 19.471 -0.807 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 387 19.960 -2.137 -7.890 1.00 0.00 H new ATOM 44 N LYS A 388 13.237 0.699 -2.885 1.00 0.00 N ATOM 45 CA LYS A 388 12.576 1.877 -2.364 1.00 0.00 C ATOM 46 C LYS A 388 11.153 1.860 -2.875 1.00 0.00 C ATOM 47 O LYS A 388 10.892 1.348 -3.967 1.00 0.00 O ATOM 48 CB LYS A 388 13.256 3.167 -2.834 1.00 0.00 C ATOM 49 CG LYS A 388 14.663 3.395 -2.294 1.00 0.00 C ATOM 50 CD LYS A 388 14.663 3.749 -0.813 1.00 0.00 C ATOM 51 CE LYS A 388 13.946 5.065 -0.541 1.00 0.00 C ATOM 52 NZ LYS A 388 14.108 5.505 0.873 1.00 0.00 N ATOM 0 H LYS A 388 12.833 0.370 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 388 12.620 1.859 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.299 3.160 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.632 4.013 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.260 2.497 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.140 4.197 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.181 2.950 -0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.691 3.816 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 388 14.335 5.835 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 388 12.886 4.954 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 13.693 6.451 0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 13.625 4.833 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.119 5.538 1.113 1.00 0.00 H new ATOM 66 N CYS A 389 10.241 2.416 -2.117 1.00 0.00 N ATOM 67 CA CYS A 389 8.842 2.328 -2.472 1.00 0.00 C ATOM 68 C CYS A 389 8.105 3.623 -2.207 1.00 0.00 C ATOM 69 O CYS A 389 8.000 4.075 -1.068 1.00 0.00 O ATOM 70 CB CYS A 389 8.185 1.183 -1.711 1.00 0.00 C ATOM 71 SG CYS A 389 8.759 -0.463 -2.226 1.00 0.00 S ATOM 0 H CYS A 389 10.436 2.930 -1.258 1.00 0.00 H new ATOM 0 HA CYS A 389 8.785 2.136 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.379 1.308 -0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.105 1.240 -1.848 1.00 0.00 H new ATOM 76 N TYR A 390 7.621 4.224 -3.276 1.00 0.00 N ATOM 77 CA TYR A 390 6.726 5.358 -3.180 1.00 0.00 C ATOM 78 C TYR A 390 5.306 4.843 -2.985 1.00 0.00 C ATOM 79 O TYR A 390 4.904 3.869 -3.625 1.00 0.00 O ATOM 80 CB TYR A 390 6.819 6.209 -4.450 1.00 0.00 C ATOM 81 CG TYR A 390 5.896 7.407 -4.461 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.234 8.572 -3.785 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.690 7.373 -5.148 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.396 9.669 -3.795 1.00 0.00 C ATOM 85 CE2 TYR A 390 3.846 8.466 -5.163 1.00 0.00 C ATOM 86 CZ TYR A 390 4.203 9.611 -4.484 1.00 0.00 C ATOM 87 OH TYR A 390 3.367 10.704 -4.499 1.00 0.00 O ATOM 0 H TYR A 390 7.837 3.941 -4.232 1.00 0.00 H new ATOM 0 HA TYR A 390 7.006 5.983 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 390 7.846 6.554 -4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 390 6.592 5.582 -5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.167 8.621 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.407 6.477 -5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.674 10.569 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 390 2.912 8.424 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 390 2.471 10.427 -4.785 1.00 0.00 H new ATOM 97 N PHE A 391 4.559 5.461 -2.088 1.00 0.00 N ATOM 98 CA PHE A 391 3.188 5.044 -1.843 1.00 0.00 C ATOM 99 C PHE A 391 2.253 5.737 -2.834 1.00 0.00 C ATOM 100 O PHE A 391 2.123 6.966 -2.824 1.00 0.00 O ATOM 101 CB PHE A 391 2.782 5.361 -0.403 1.00 0.00 C ATOM 102 CG PHE A 391 1.467 4.753 0.002 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.409 3.443 0.449 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.291 5.486 -0.063 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.207 2.876 0.821 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.914 4.923 0.308 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.956 3.616 0.750 1.00 0.00 C ATOM 0 H PHE A 391 4.874 6.248 -1.520 1.00 0.00 H new ATOM 0 HA PHE A 391 3.113 3.966 -1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.560 5.004 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 391 2.725 6.443 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.315 2.858 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.318 6.509 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.176 1.854 1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.822 5.504 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.897 3.173 1.040 1.00 0.00 H new ATOM 117 N PRO A 392 1.598 4.946 -3.699 1.00 0.00 N ATOM 118 CA PRO A 392 0.738 5.459 -4.776 1.00 0.00 C ATOM 119 C PRO A 392 -0.516 6.151 -4.260 1.00 0.00 C ATOM 120 O PRO A 392 -0.838 6.102 -3.072 1.00 0.00 O ATOM 121 CB PRO A 392 0.364 4.202 -5.568 1.00 0.00 C ATOM 122 CG PRO A 392 0.520 3.078 -4.605 1.00 0.00 C ATOM 123 CD PRO A 392 1.641 3.474 -3.686 1.00 0.00 C ATOM 0 HA PRO A 392 1.251 6.219 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -0.658 4.261 -5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.014 4.073 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.402 2.911 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 392 0.751 2.148 -5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.494 3.078 -2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.601 3.098 -4.040 1.00 0.00 H new ATOM 131 N TYR A 393 -1.214 6.808 -5.169 1.00 0.00 N ATOM 132 CA TYR A 393 -2.419 7.536 -4.830 1.00 0.00 C ATOM 133 C TYR A 393 -3.648 6.671 -5.057 1.00 0.00 C ATOM 134 O TYR A 393 -3.877 6.177 -6.159 1.00 0.00 O ATOM 135 CB TYR A 393 -2.516 8.815 -5.667 1.00 0.00 C ATOM 136 CG TYR A 393 -3.789 9.603 -5.431 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.891 10.479 -4.358 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.888 9.465 -6.271 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.051 11.191 -4.127 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.050 10.177 -6.047 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.126 11.038 -4.972 1.00 0.00 C ATOM 142 OH TYR A 393 -7.286 11.741 -4.738 1.00 0.00 O ATOM 0 H TYR A 393 -0.962 6.851 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.374 7.805 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.659 9.451 -5.444 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.452 8.553 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.049 10.605 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.832 8.790 -7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.114 11.866 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.895 10.060 -6.710 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.981 11.128 -4.419 1.00 0.00 H new ATOM 152 N LEU A 394 -4.428 6.490 -4.006 1.00 0.00 N ATOM 153 CA LEU A 394 -5.681 5.765 -4.102 1.00 0.00 C ATOM 154 C LEU A 394 -6.811 6.783 -4.125 1.00 0.00 C ATOM 155 O LEU A 394 -6.867 7.641 -3.248 1.00 0.00 O ATOM 156 CB LEU A 394 -5.850 4.790 -2.926 1.00 0.00 C ATOM 157 CG LEU A 394 -4.946 3.538 -2.933 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.474 3.903 -2.803 1.00 0.00 C ATOM 159 CD2 LEU A 394 -5.345 2.602 -1.806 1.00 0.00 C ATOM 0 H LEU A 394 -4.213 6.838 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 394 -5.693 5.168 -5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.668 5.337 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.889 4.461 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 394 -5.083 3.038 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.872 2.995 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -3.182 4.540 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.313 4.436 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.702 1.722 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -5.237 3.116 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -6.383 2.295 -1.938 1.00 0.00 H new ATOM 171 N GLU A 395 -7.702 6.662 -5.111 1.00 0.00 N ATOM 172 CA GLU A 395 -8.683 7.711 -5.444 1.00 0.00 C ATOM 173 C GLU A 395 -9.343 8.303 -4.199 1.00 0.00 C ATOM 174 O GLU A 395 -8.979 9.392 -3.753 1.00 0.00 O ATOM 175 CB GLU A 395 -9.776 7.203 -6.407 1.00 0.00 C ATOM 176 CG GLU A 395 -9.592 5.779 -6.927 1.00 0.00 C ATOM 177 CD GLU A 395 -9.778 4.729 -5.850 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.934 4.459 -5.473 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.770 4.172 -5.371 1.00 0.00 O ATOM 0 H GLU A 395 -7.768 5.835 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.113 8.495 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -10.738 7.263 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.824 7.878 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.304 5.597 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -8.595 5.680 -7.355 1.00 0.00 H new ATOM 186 N ASN A 396 -10.302 7.585 -3.635 1.00 0.00 N ATOM 187 CA ASN A 396 -10.943 8.016 -2.399 1.00 0.00 C ATOM 188 C ASN A 396 -10.361 7.244 -1.221 1.00 0.00 C ATOM 189 O ASN A 396 -11.073 6.808 -0.316 1.00 0.00 O ATOM 190 CB ASN A 396 -12.468 7.848 -2.476 1.00 0.00 C ATOM 191 CG ASN A 396 -12.910 6.461 -2.918 1.00 0.00 C ATOM 192 OD1 ASN A 396 -13.088 5.560 -2.101 1.00 0.00 O ATOM 193 ND2 ASN A 396 -13.120 6.285 -4.214 1.00 0.00 N ATOM 0 H ASN A 396 -10.654 6.704 -4.011 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.744 9.078 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.898 8.062 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.871 8.586 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -13.439 5.380 -4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.963 7.054 -4.865 1.00 0.00 H new ATOM 200 N GLY A 397 -9.044 7.082 -1.247 1.00 0.00 N ATOM 201 CA GLY A 397 -8.357 6.331 -0.219 1.00 0.00 C ATOM 202 C GLY A 397 -7.792 7.211 0.879 1.00 0.00 C ATOM 203 O GLY A 397 -7.824 8.438 0.796 1.00 0.00 O ATOM 0 H GLY A 397 -8.435 7.463 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.047 5.610 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.547 5.761 -0.673 1.00 0.00 H new ATOM 207 N TYR A 398 -7.288 6.553 1.902 1.00 0.00 N ATOM 208 CA TYR A 398 -6.573 7.184 3.037 1.00 0.00 C ATOM 209 C TYR A 398 -5.187 7.695 2.614 1.00 0.00 C ATOM 210 O TYR A 398 -4.181 7.354 3.238 1.00 0.00 O ATOM 211 CB TYR A 398 -6.382 6.109 4.113 1.00 0.00 C ATOM 212 CG TYR A 398 -6.178 4.808 3.427 1.00 0.00 C ATOM 213 CD1 TYR A 398 -4.922 4.363 3.050 1.00 0.00 C ATOM 214 CD2 TYR A 398 -7.284 4.096 3.038 1.00 0.00 C ATOM 215 CE1 TYR A 398 -4.787 3.224 2.292 1.00 0.00 C ATOM 216 CE2 TYR A 398 -7.167 2.972 2.308 1.00 0.00 C ATOM 217 CZ TYR A 398 -5.918 2.530 1.924 1.00 0.00 C ATOM 218 OH TYR A 398 -5.811 1.407 1.152 1.00 0.00 O ATOM 0 H TYR A 398 -7.356 5.539 1.987 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.154 8.032 3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -5.524 6.347 4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.254 6.064 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -4.044 4.914 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.266 4.444 3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -3.809 2.879 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -8.049 2.417 2.023 1.00 0.00 H new ATOM 0 HH TYR A 398 -4.999 1.462 0.606 1.00 0.00 H new ATOM 228 N ASN A 399 -5.118 8.507 1.567 1.00 0.00 N ATOM 229 CA ASN A 399 -3.823 8.900 1.008 1.00 0.00 C ATOM 230 C ASN A 399 -3.134 10.010 1.782 1.00 0.00 C ATOM 231 O ASN A 399 -2.549 10.915 1.191 1.00 0.00 O ATOM 232 CB ASN A 399 -3.918 9.302 -0.461 1.00 0.00 C ATOM 233 CG ASN A 399 -5.154 10.116 -0.793 1.00 0.00 C ATOM 234 OD1 ASN A 399 -5.200 11.319 -0.557 1.00 0.00 O ATOM 235 ND2 ASN A 399 -6.146 9.472 -1.381 1.00 0.00 N ATOM 0 H ASN A 399 -5.928 8.903 1.091 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.213 8.001 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.032 9.878 -0.729 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.911 8.402 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.989 9.976 -1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.069 8.471 -1.560 1.00 0.00 H new ATOM 242 N GLN A 400 -3.166 9.927 3.097 1.00 0.00 N ATOM 243 CA GLN A 400 -2.288 10.745 3.908 1.00 0.00 C ATOM 244 C GLN A 400 -0.885 10.159 3.842 1.00 0.00 C ATOM 245 O GLN A 400 0.102 10.815 4.168 1.00 0.00 O ATOM 246 CB GLN A 400 -2.782 10.813 5.347 1.00 0.00 C ATOM 247 CG GLN A 400 -3.990 11.716 5.532 1.00 0.00 C ATOM 248 CD GLN A 400 -4.525 11.682 6.946 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.096 12.453 7.805 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.476 10.797 7.197 1.00 0.00 N ATOM 0 H GLN A 400 -3.784 9.308 3.622 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.278 11.765 3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.035 9.808 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.972 11.168 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -3.718 12.739 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.777 11.412 4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.803 10.176 6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.882 10.735 8.131 1.00 0.00 H new ATOM 259 N ASN A 401 -0.817 8.904 3.400 1.00 0.00 N ATOM 260 CA ASN A 401 0.454 8.222 3.207 1.00 0.00 C ATOM 261 C ASN A 401 0.970 8.429 1.788 1.00 0.00 C ATOM 262 O ASN A 401 2.145 8.197 1.507 1.00 0.00 O ATOM 263 CB ASN A 401 0.319 6.723 3.496 1.00 0.00 C ATOM 264 CG ASN A 401 -0.024 6.436 4.945 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.314 7.209 5.839 1.00 0.00 O ATOM 266 ND2 ASN A 401 -0.694 5.319 5.186 1.00 0.00 N ATOM 0 H ASN A 401 -1.634 8.339 3.169 1.00 0.00 H new ATOM 0 HA ASN A 401 1.170 8.651 3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.454 6.301 2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.253 6.222 3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.948 5.073 6.143 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.955 4.705 4.415 1.00 0.00 H new ATOM 273 N HIS A 402 0.082 8.842 0.890 1.00 0.00 N ATOM 274 CA HIS A 402 0.484 9.192 -0.467 1.00 0.00 C ATOM 275 C HIS A 402 1.536 10.290 -0.437 1.00 0.00 C ATOM 276 O HIS A 402 1.351 11.323 0.203 1.00 0.00 O ATOM 277 CB HIS A 402 -0.722 9.653 -1.288 1.00 0.00 C ATOM 278 CG HIS A 402 -0.370 10.202 -2.637 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.715 11.470 -3.044 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.302 9.648 -3.672 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.274 11.673 -4.269 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.348 10.584 -4.674 1.00 0.00 N ATOM 0 H HIS A 402 -0.916 8.942 1.076 1.00 0.00 H new ATOM 0 HA HIS A 402 0.906 8.304 -0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.403 8.812 -1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -1.260 10.416 -0.726 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -1.232 12.148 -2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.724 8.654 -3.704 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.401 12.578 -4.844 1.00 0.00 H new ATOM 291 N GLY A 403 2.637 10.055 -1.124 1.00 0.00 N ATOM 292 CA GLY A 403 3.691 11.044 -1.179 1.00 0.00 C ATOM 293 C GLY A 403 4.853 10.674 -0.290 1.00 0.00 C ATOM 294 O GLY A 403 5.914 11.299 -0.342 1.00 0.00 O ATOM 0 H GLY A 403 2.822 9.198 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.038 11.148 -2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.296 12.014 -0.876 1.00 0.00 H new ATOM 298 N ARG A 404 4.648 9.659 0.533 1.00 0.00 N ATOM 299 CA ARG A 404 5.688 9.175 1.418 1.00 0.00 C ATOM 300 C ARG A 404 6.632 8.248 0.674 1.00 0.00 C ATOM 301 O ARG A 404 6.257 7.621 -0.322 1.00 0.00 O ATOM 302 CB ARG A 404 5.079 8.449 2.615 1.00 0.00 C ATOM 303 CG ARG A 404 4.323 9.363 3.556 1.00 0.00 C ATOM 304 CD ARG A 404 3.559 8.564 4.596 1.00 0.00 C ATOM 305 NE ARG A 404 4.444 7.724 5.412 1.00 0.00 N ATOM 306 CZ ARG A 404 4.079 7.111 6.544 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.836 7.217 6.998 1.00 0.00 N ATOM 308 NH2 ARG A 404 4.962 6.391 7.226 1.00 0.00 N ATOM 0 H ARG A 404 3.765 9.154 0.605 1.00 0.00 H new ATOM 0 HA ARG A 404 6.253 10.034 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.404 7.673 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 404 5.873 7.948 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.021 10.038 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.630 9.983 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.010 9.247 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 404 2.821 7.935 4.098 1.00 0.00 H new ATOM 0 HE ARG A 404 5.405 7.599 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.150 7.769 6.483 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.567 6.746 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 404 5.920 6.305 6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 404 4.682 5.924 8.089 1.00 0.00 H new ATOM 322 N LYS A 405 7.851 8.172 1.166 1.00 0.00 N ATOM 323 CA LYS A 405 8.885 7.365 0.542 1.00 0.00 C ATOM 324 C LYS A 405 9.398 6.327 1.524 1.00 0.00 C ATOM 325 O LYS A 405 9.841 6.658 2.623 1.00 0.00 O ATOM 326 CB LYS A 405 10.039 8.245 0.065 1.00 0.00 C ATOM 327 CG LYS A 405 9.660 9.238 -1.021 1.00 0.00 C ATOM 328 CD LYS A 405 10.806 10.193 -1.311 1.00 0.00 C ATOM 329 CE LYS A 405 10.449 11.189 -2.403 1.00 0.00 C ATOM 330 NZ LYS A 405 10.430 10.568 -3.754 1.00 0.00 N ATOM 0 H LYS A 405 8.155 8.665 2.006 1.00 0.00 H new ATOM 0 HA LYS A 405 8.454 6.859 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.440 8.793 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.839 7.605 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.390 8.702 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.781 9.803 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.070 10.731 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.686 9.624 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.471 11.621 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.168 12.008 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.182 11.287 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.370 10.178 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 9.725 9.803 -3.775 1.00 0.00 H new ATOM 344 N PHE A 406 9.338 5.074 1.125 1.00 0.00 N ATOM 345 CA PHE A 406 9.728 3.979 1.995 1.00 0.00 C ATOM 346 C PHE A 406 10.918 3.236 1.401 1.00 0.00 C ATOM 347 O PHE A 406 11.239 3.404 0.226 1.00 0.00 O ATOM 348 CB PHE A 406 8.542 3.030 2.200 1.00 0.00 C ATOM 349 CG PHE A 406 7.332 3.707 2.790 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.408 4.338 1.971 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.126 3.720 4.159 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.303 4.970 2.505 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.020 4.350 4.701 1.00 0.00 C ATOM 354 CZ PHE A 406 5.107 4.976 3.873 1.00 0.00 C ATOM 0 H PHE A 406 9.022 4.785 0.199 1.00 0.00 H new ATOM 0 HA PHE A 406 10.024 4.379 2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.271 2.587 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.848 2.213 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.555 4.335 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.836 3.233 4.811 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.593 5.459 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.870 4.353 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.243 5.468 4.294 1.00 0.00 H new ATOM 364 N VAL A 407 11.576 2.432 2.219 1.00 0.00 N ATOM 365 CA VAL A 407 12.743 1.681 1.778 1.00 0.00 C ATOM 366 C VAL A 407 12.445 0.186 1.833 1.00 0.00 C ATOM 367 O VAL A 407 11.547 -0.240 2.563 1.00 0.00 O ATOM 368 CB VAL A 407 13.974 2.011 2.661 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.774 1.516 4.088 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.256 1.439 2.065 1.00 0.00 C ATOM 0 H VAL A 407 11.322 2.281 3.195 1.00 0.00 H new ATOM 0 HA VAL A 407 12.972 1.965 0.751 1.00 0.00 H new ATOM 0 HB VAL A 407 14.075 3.096 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.653 1.761 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.896 1.997 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.630 0.436 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.099 1.689 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.168 0.355 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.418 1.864 1.074 1.00 0.00 H new ATOM 380 N GLN A 408 13.173 -0.593 1.036 1.00 0.00 N ATOM 381 CA GLN A 408 13.051 -2.046 1.057 1.00 0.00 C ATOM 382 C GLN A 408 13.237 -2.568 2.481 1.00 0.00 C ATOM 383 O GLN A 408 14.294 -2.378 3.087 1.00 0.00 O ATOM 384 CB GLN A 408 14.091 -2.679 0.129 1.00 0.00 C ATOM 385 CG GLN A 408 14.060 -4.199 0.134 1.00 0.00 C ATOM 386 CD GLN A 408 15.256 -4.802 -0.568 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.133 -5.024 -1.865 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 16.283 -5.066 0.051 1.00 0.00 N flip ATOM 0 H GLN A 408 13.856 -0.239 0.366 1.00 0.00 H new ATOM 0 HA GLN A 408 12.055 -2.318 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.924 -2.323 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.084 -2.342 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.028 -4.556 1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.146 -4.543 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 408 16.337 -4.879 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 408 17.082 -5.472 -0.436 1.00 0.00 H new ATOM 397 N GLY A 409 12.211 -3.218 3.007 1.00 0.00 N ATOM 398 CA GLY A 409 12.256 -3.696 4.373 1.00 0.00 C ATOM 399 C GLY A 409 11.260 -2.982 5.270 1.00 0.00 C ATOM 400 O GLY A 409 11.136 -3.309 6.449 1.00 0.00 O ATOM 0 H GLY A 409 11.344 -3.424 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 409 12.051 -4.766 4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.262 -3.559 4.770 1.00 0.00 H new ATOM 404 N LYS A 410 10.568 -1.989 4.722 1.00 0.00 N ATOM 405 CA LYS A 410 9.538 -1.276 5.465 1.00 0.00 C ATOM 406 C LYS A 410 8.146 -1.768 5.087 1.00 0.00 C ATOM 407 O LYS A 410 7.962 -2.387 4.040 1.00 0.00 O ATOM 408 CB LYS A 410 9.639 0.228 5.225 1.00 0.00 C ATOM 409 CG LYS A 410 10.481 0.949 6.263 1.00 0.00 C ATOM 410 CD LYS A 410 10.434 2.455 6.070 1.00 0.00 C ATOM 411 CE LYS A 410 11.034 3.192 7.260 1.00 0.00 C ATOM 412 NZ LYS A 410 12.469 2.856 7.474 1.00 0.00 N ATOM 0 H LYS A 410 10.702 -1.660 3.766 1.00 0.00 H new ATOM 0 HA LYS A 410 9.700 -1.476 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.065 0.403 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.636 0.656 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 410 10.123 0.698 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.513 0.605 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.977 2.723 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.401 2.772 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.935 4.266 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.468 2.946 8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.857 3.457 8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.554 1.857 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.999 3.020 6.594 1.00 0.00 H new ATOM 426 N SER A 411 7.171 -1.463 5.934 1.00 0.00 N ATOM 427 CA SER A 411 5.813 -1.963 5.766 1.00 0.00 C ATOM 428 C SER A 411 4.792 -0.855 6.039 1.00 0.00 C ATOM 429 O SER A 411 5.155 0.237 6.478 1.00 0.00 O ATOM 430 CB SER A 411 5.583 -3.140 6.721 1.00 0.00 C ATOM 431 OG SER A 411 4.244 -3.609 6.676 1.00 0.00 O ATOM 0 H SER A 411 7.298 -0.866 6.751 1.00 0.00 H new ATOM 0 HA SER A 411 5.684 -2.299 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.261 -3.954 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.826 -2.834 7.739 1.00 0.00 H new ATOM 0 HG SER A 411 4.139 -4.360 7.297 1.00 0.00 H new ATOM 437 N ILE A 412 3.525 -1.145 5.775 1.00 0.00 N ATOM 438 CA ILE A 412 2.433 -0.216 6.059 1.00 0.00 C ATOM 439 C ILE A 412 1.089 -0.915 5.874 1.00 0.00 C ATOM 440 O ILE A 412 0.894 -1.665 4.912 1.00 0.00 O ATOM 441 CB ILE A 412 2.499 1.057 5.170 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.364 2.029 5.517 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.468 0.709 3.687 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.479 2.636 6.900 1.00 0.00 C ATOM 0 H ILE A 412 3.223 -2.026 5.360 1.00 0.00 H new ATOM 0 HA ILE A 412 2.539 0.105 7.095 1.00 0.00 H new ATOM 0 HB ILE A 412 3.450 1.547 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.347 2.831 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.412 1.504 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.516 1.625 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.321 0.076 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.545 0.177 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.641 3.312 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.465 1.843 7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.414 3.191 6.977 1.00 0.00 H new ATOM 456 N ASP A 413 0.176 -0.699 6.813 1.00 0.00 N ATOM 457 CA ASP A 413 -1.143 -1.321 6.750 1.00 0.00 C ATOM 458 C ASP A 413 -2.070 -0.549 5.831 1.00 0.00 C ATOM 459 O ASP A 413 -2.123 0.682 5.851 1.00 0.00 O ATOM 460 CB ASP A 413 -1.789 -1.477 8.136 1.00 0.00 C ATOM 461 CG ASP A 413 -1.701 -0.224 8.985 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.574 0.198 9.325 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.760 0.336 9.338 1.00 0.00 O ATOM 0 H ASP A 413 0.323 -0.100 7.625 1.00 0.00 H new ATOM 0 HA ASP A 413 -0.990 -2.321 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.837 -1.750 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.306 -2.299 8.664 1.00 0.00 H new ATOM 468 N VAL A 414 -2.792 -1.302 5.029 1.00 0.00 N ATOM 469 CA VAL A 414 -3.712 -0.754 4.053 1.00 0.00 C ATOM 470 C VAL A 414 -5.153 -0.895 4.529 1.00 0.00 C ATOM 471 O VAL A 414 -5.636 -2.000 4.779 1.00 0.00 O ATOM 472 CB VAL A 414 -3.509 -1.449 2.692 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.675 -1.204 1.760 1.00 0.00 C ATOM 474 CG2 VAL A 414 -2.218 -0.964 2.056 1.00 0.00 C ATOM 0 H VAL A 414 -2.757 -2.321 5.036 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.506 0.310 3.934 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.449 -2.523 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.495 -1.710 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.589 -1.592 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -4.783 -0.133 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.078 -1.458 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.269 0.114 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.379 -1.200 2.710 1.00 0.00 H new ATOM 484 N ALA A 415 -5.827 0.243 4.652 1.00 0.00 N ATOM 485 CA ALA A 415 -7.174 0.286 5.211 1.00 0.00 C ATOM 486 C ALA A 415 -8.225 0.018 4.153 1.00 0.00 C ATOM 487 O ALA A 415 -9.278 -0.556 4.412 1.00 0.00 O ATOM 488 CB ALA A 415 -7.419 1.647 5.870 1.00 0.00 C ATOM 0 H ALA A 415 -5.461 1.152 4.371 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.254 -0.500 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.426 1.674 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.693 1.801 6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.313 2.436 5.126 1.00 0.00 H new ATOM 494 N CYS A 416 -7.843 0.368 2.958 1.00 0.00 N ATOM 495 CA CYS A 416 -8.710 0.551 1.806 1.00 0.00 C ATOM 496 C CYS A 416 -9.983 1.316 2.096 1.00 0.00 C ATOM 497 O CYS A 416 -10.594 1.237 3.160 1.00 0.00 O ATOM 498 CB CYS A 416 -9.037 -0.757 1.134 1.00 0.00 C ATOM 499 SG CYS A 416 -7.604 -1.605 0.416 1.00 0.00 S ATOM 0 H CYS A 416 -6.863 0.546 2.739 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.126 1.169 1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.509 -1.418 1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.769 -0.575 0.347 1.00 0.00 H new ATOM 504 N HIS A 417 -10.361 2.092 1.102 1.00 0.00 N ATOM 505 CA HIS A 417 -11.586 2.832 1.154 1.00 0.00 C ATOM 506 C HIS A 417 -12.750 1.861 1.254 1.00 0.00 C ATOM 507 O HIS A 417 -12.747 0.821 0.599 1.00 0.00 O ATOM 508 CB HIS A 417 -11.755 3.748 -0.068 1.00 0.00 C ATOM 509 CG HIS A 417 -10.793 3.520 -1.205 1.00 0.00 C ATOM 510 ND1 HIS A 417 -9.423 3.577 -1.067 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.017 3.246 -2.510 1.00 0.00 C ATOM 512 CE1 HIS A 417 -8.856 3.348 -2.236 1.00 0.00 C ATOM 513 NE2 HIS A 417 -9.798 3.146 -3.130 1.00 0.00 N ATOM 0 H HIS A 417 -9.825 2.221 0.244 1.00 0.00 H new ATOM 0 HA HIS A 417 -11.562 3.475 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.770 3.629 -0.448 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -11.657 4.782 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.982 3.127 -2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -7.793 3.330 -2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -9.648 2.948 -4.119 1.00 0.00 H new ATOM 522 N PRO A 418 -13.736 2.196 2.091 1.00 0.00 N ATOM 523 CA PRO A 418 -14.888 1.335 2.388 1.00 0.00 C ATOM 524 C PRO A 418 -15.513 0.708 1.142 1.00 0.00 C ATOM 525 O PRO A 418 -16.108 1.397 0.311 1.00 0.00 O ATOM 526 CB PRO A 418 -15.853 2.304 3.060 1.00 0.00 C ATOM 527 CG PRO A 418 -14.964 3.272 3.752 1.00 0.00 C ATOM 528 CD PRO A 418 -13.804 3.470 2.825 1.00 0.00 C ATOM 0 HA PRO A 418 -14.615 0.475 2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -16.493 2.800 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.509 1.791 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -15.480 4.213 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -14.636 2.885 4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -13.965 4.313 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -12.882 3.669 3.371 1.00 0.00 H new ATOM 536 N GLY A 419 -15.369 -0.606 1.031 1.00 0.00 N ATOM 537 CA GLY A 419 -15.860 -1.323 -0.131 1.00 0.00 C ATOM 538 C GLY A 419 -14.731 -1.954 -0.929 1.00 0.00 C ATOM 539 O GLY A 419 -14.965 -2.706 -1.879 1.00 0.00 O ATOM 0 H GLY A 419 -14.917 -1.193 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.556 -2.099 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.418 -0.639 -0.770 1.00 0.00 H new ATOM 543 N TYR A 420 -13.504 -1.638 -0.543 1.00 0.00 N ATOM 544 CA TYR A 420 -12.323 -2.160 -1.217 1.00 0.00 C ATOM 545 C TYR A 420 -11.454 -2.941 -0.243 1.00 0.00 C ATOM 546 O TYR A 420 -11.567 -2.773 0.972 1.00 0.00 O ATOM 547 CB TYR A 420 -11.507 -1.016 -1.822 1.00 0.00 C ATOM 548 CG TYR A 420 -12.253 -0.224 -2.874 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.085 0.837 -2.528 1.00 0.00 C ATOM 550 CD2 TYR A 420 -12.126 -0.543 -4.220 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.766 1.555 -3.494 1.00 0.00 C ATOM 552 CE2 TYR A 420 -12.804 0.170 -5.191 1.00 0.00 C ATOM 553 CZ TYR A 420 -13.623 1.217 -4.823 1.00 0.00 C ATOM 554 OH TYR A 420 -14.301 1.928 -5.788 1.00 0.00 O ATOM 0 H TYR A 420 -13.299 -1.017 0.240 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.654 -2.827 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.198 -0.341 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.598 -1.424 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -13.201 1.104 -1.488 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -11.486 -1.362 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.407 2.376 -3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -12.693 -0.092 -6.233 1.00 0.00 H new ATOM 0 HH TYR A 420 -14.090 1.563 -6.672 1.00 0.00 H new ATOM 564 N ALA A 421 -10.588 -3.791 -0.778 1.00 0.00 N ATOM 565 CA ALA A 421 -9.651 -4.549 0.040 1.00 0.00 C ATOM 566 C ALA A 421 -8.459 -4.981 -0.799 1.00 0.00 C ATOM 567 O ALA A 421 -8.560 -5.058 -2.024 1.00 0.00 O ATOM 568 CB ALA A 421 -10.340 -5.766 0.641 1.00 0.00 C ATOM 0 H ALA A 421 -10.515 -3.973 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.299 -3.913 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.628 -6.323 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -11.174 -5.442 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.712 -6.406 -0.159 1.00 0.00 H new ATOM 574 N LEU A 422 -7.330 -5.237 -0.149 1.00 0.00 N ATOM 575 CA LEU A 422 -6.159 -5.754 -0.846 1.00 0.00 C ATOM 576 C LEU A 422 -6.348 -7.216 -1.216 1.00 0.00 C ATOM 577 O LEU A 422 -6.982 -7.986 -0.487 1.00 0.00 O ATOM 578 CB LEU A 422 -4.896 -5.621 -0.001 1.00 0.00 C ATOM 579 CG LEU A 422 -4.180 -4.277 -0.073 1.00 0.00 C ATOM 580 CD1 LEU A 422 -2.974 -4.280 0.852 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.749 -3.981 -1.497 1.00 0.00 C ATOM 0 H LEU A 422 -7.201 -5.096 0.853 1.00 0.00 H new ATOM 0 HA LEU A 422 -6.044 -5.157 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.157 -5.815 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.196 -6.399 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.870 -3.496 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.469 -3.316 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.302 -4.457 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.286 -5.069 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.240 -3.018 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.071 -4.762 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.626 -3.950 -2.144 1.00 0.00 H new ATOM 593 N PRO A 423 -5.785 -7.594 -2.365 1.00 0.00 N ATOM 594 CA PRO A 423 -5.827 -8.962 -2.883 1.00 0.00 C ATOM 595 C PRO A 423 -5.255 -9.973 -1.897 1.00 0.00 C ATOM 596 O PRO A 423 -4.311 -9.673 -1.167 1.00 0.00 O ATOM 597 CB PRO A 423 -4.954 -8.898 -4.135 1.00 0.00 C ATOM 598 CG PRO A 423 -4.986 -7.469 -4.537 1.00 0.00 C ATOM 599 CD PRO A 423 -5.058 -6.691 -3.259 1.00 0.00 C ATOM 0 HA PRO A 423 -6.849 -9.290 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.937 -9.229 -3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.344 -9.541 -4.924 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.097 -7.203 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.847 -7.260 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.066 -6.454 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.583 -5.745 -3.391 1.00 0.00 H new ATOM 607 N LYS A 424 -5.853 -11.163 -1.877 1.00 0.00 N ATOM 608 CA LYS A 424 -5.379 -12.281 -1.056 1.00 0.00 C ATOM 609 C LYS A 424 -5.562 -11.998 0.433 1.00 0.00 C ATOM 610 O LYS A 424 -4.850 -12.554 1.277 1.00 0.00 O ATOM 611 CB LYS A 424 -3.913 -12.603 -1.357 1.00 0.00 C ATOM 612 CG LYS A 424 -3.643 -12.873 -2.829 1.00 0.00 C ATOM 613 CD LYS A 424 -4.470 -14.038 -3.351 1.00 0.00 C ATOM 614 CE LYS A 424 -4.291 -14.219 -4.850 1.00 0.00 C ATOM 615 NZ LYS A 424 -2.889 -14.565 -5.212 1.00 0.00 N ATOM 0 H LYS A 424 -6.682 -11.382 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.985 -13.150 -1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.291 -11.770 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.613 -13.474 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.868 -11.979 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.584 -13.087 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -4.178 -14.953 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -5.523 -13.868 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -4.960 -15.005 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -4.581 -13.301 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -2.835 -14.778 -6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -2.266 -13.762 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -2.585 -15.397 -4.667 1.00 0.00 H new ATOM 629 N ALA A 425 -6.530 -11.135 0.736 1.00 0.00 N ATOM 630 CA ALA A 425 -6.868 -10.773 2.109 1.00 0.00 C ATOM 631 C ALA A 425 -5.656 -10.218 2.848 1.00 0.00 C ATOM 632 O ALA A 425 -5.256 -10.733 3.892 1.00 0.00 O ATOM 633 CB ALA A 425 -7.449 -11.969 2.853 1.00 0.00 C ATOM 0 H ALA A 425 -7.103 -10.667 0.034 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.624 -9.989 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.694 -11.678 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.352 -12.309 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.717 -12.776 2.872 1.00 0.00 H new ATOM 639 N GLN A 426 -5.061 -9.179 2.287 1.00 0.00 N ATOM 640 CA GLN A 426 -3.928 -8.522 2.905 1.00 0.00 C ATOM 641 C GLN A 426 -4.376 -7.248 3.612 1.00 0.00 C ATOM 642 O GLN A 426 -5.254 -6.538 3.127 1.00 0.00 O ATOM 643 CB GLN A 426 -2.887 -8.191 1.839 1.00 0.00 C ATOM 644 CG GLN A 426 -2.268 -9.418 1.190 1.00 0.00 C ATOM 645 CD GLN A 426 -1.307 -10.160 2.101 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.588 -9.427 2.937 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 -1.193 -11.383 2.033 1.00 0.00 N flip ATOM 0 H GLN A 426 -5.349 -8.772 1.397 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.488 -9.191 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.352 -7.578 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.096 -7.591 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.063 -10.097 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.740 -9.115 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.765 -11.913 1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.526 -11.867 2.634 1.00 0.00 H new ATOM 656 N THR A 427 -3.775 -6.964 4.755 1.00 0.00 N ATOM 657 CA THR A 427 -4.077 -5.748 5.493 1.00 0.00 C ATOM 658 C THR A 427 -2.862 -4.860 5.501 1.00 0.00 C ATOM 659 O THR A 427 -2.858 -3.784 6.085 1.00 0.00 O ATOM 660 CB THR A 427 -4.472 -6.036 6.953 1.00 0.00 C ATOM 661 OG1 THR A 427 -3.544 -6.963 7.532 1.00 0.00 O ATOM 662 CG2 THR A 427 -5.885 -6.590 7.050 1.00 0.00 C ATOM 0 H THR A 427 -3.073 -7.560 5.193 1.00 0.00 H new ATOM 0 HA THR A 427 -4.920 -5.267 4.997 1.00 0.00 H new ATOM 0 HB THR A 427 -4.443 -5.095 7.502 1.00 0.00 H new ATOM 0 HG1 THR A 427 -3.798 -7.142 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.130 -6.782 8.095 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.589 -5.866 6.639 1.00 0.00 H new ATOM 0 HG23 THR A 427 -5.951 -7.520 6.486 1.00 0.00 H new ATOM 670 N THR A 428 -1.819 -5.335 4.857 1.00 0.00 N ATOM 671 CA THR A 428 -0.543 -4.672 4.891 1.00 0.00 C ATOM 672 C THR A 428 0.181 -4.840 3.562 1.00 0.00 C ATOM 673 O THR A 428 -0.091 -5.777 2.809 1.00 0.00 O ATOM 674 CB THR A 428 0.329 -5.269 6.007 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.437 -6.187 6.800 1.00 0.00 O ATOM 676 CG2 THR A 428 0.908 -4.190 6.904 1.00 0.00 C ATOM 0 H THR A 428 -1.835 -6.188 4.298 1.00 0.00 H new ATOM 0 HA THR A 428 -0.715 -3.612 5.079 1.00 0.00 H new ATOM 0 HB THR A 428 1.154 -5.796 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.130 -6.561 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.518 -4.651 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.525 -3.516 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 428 0.097 -3.627 7.366 1.00 0.00 H new ATOM 684 N VAL A 429 1.084 -3.923 3.280 1.00 0.00 N ATOM 685 CA VAL A 429 1.943 -4.013 2.118 1.00 0.00 C ATOM 686 C VAL A 429 3.338 -3.573 2.494 1.00 0.00 C ATOM 687 O VAL A 429 3.515 -2.581 3.199 1.00 0.00 O ATOM 688 CB VAL A 429 1.411 -3.173 0.937 1.00 0.00 C ATOM 689 CG1 VAL A 429 1.047 -1.766 1.378 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.409 -3.118 -0.184 1.00 0.00 C ATOM 0 H VAL A 429 1.243 -3.093 3.851 1.00 0.00 H new ATOM 0 HA VAL A 429 1.959 -5.051 1.787 1.00 0.00 H new ATOM 0 HB VAL A 429 0.508 -3.665 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.676 -1.201 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.274 -1.814 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.930 -1.272 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 429 2.006 -2.520 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.334 -2.667 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.612 -4.128 -0.540 1.00 0.00 H new ATOM 700 N THR A 430 4.329 -4.333 2.072 1.00 0.00 N ATOM 701 CA THR A 430 5.680 -4.004 2.432 1.00 0.00 C ATOM 702 C THR A 430 6.569 -3.880 1.215 1.00 0.00 C ATOM 703 O THR A 430 6.270 -4.423 0.153 1.00 0.00 O ATOM 704 CB THR A 430 6.288 -5.032 3.399 1.00 0.00 C ATOM 705 OG1 THR A 430 6.773 -6.166 2.674 1.00 0.00 O ATOM 706 CG2 THR A 430 5.271 -5.514 4.420 1.00 0.00 C ATOM 0 H THR A 430 4.222 -5.165 1.491 1.00 0.00 H new ATOM 0 HA THR A 430 5.629 -3.039 2.936 1.00 0.00 H new ATOM 0 HB THR A 430 7.106 -4.535 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.160 -6.813 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.739 -6.239 5.085 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.911 -4.666 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 430 4.432 -5.982 3.905 1.00 0.00 H new ATOM 714 N CYS A 431 7.654 -3.149 1.385 1.00 0.00 N ATOM 715 CA CYS A 431 8.584 -2.894 0.308 1.00 0.00 C ATOM 716 C CYS A 431 9.608 -4.017 0.235 1.00 0.00 C ATOM 717 O CYS A 431 10.562 -4.047 1.012 1.00 0.00 O ATOM 718 CB CYS A 431 9.280 -1.552 0.542 1.00 0.00 C ATOM 719 SG CYS A 431 10.212 -0.929 -0.891 1.00 0.00 S ATOM 0 H CYS A 431 7.913 -2.717 2.272 1.00 0.00 H new ATOM 0 HA CYS A 431 8.044 -2.853 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.531 -0.812 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.961 -1.652 1.387 1.00 0.00 H new ATOM 724 N MET A 432 9.394 -4.951 -0.684 1.00 0.00 N ATOM 725 CA MET A 432 10.296 -6.077 -0.851 1.00 0.00 C ATOM 726 C MET A 432 11.379 -5.720 -1.871 1.00 0.00 C ATOM 727 O MET A 432 11.666 -4.543 -2.104 1.00 0.00 O ATOM 728 CB MET A 432 9.521 -7.335 -1.296 1.00 0.00 C ATOM 729 CG MET A 432 9.138 -7.327 -2.765 1.00 0.00 C ATOM 730 SD MET A 432 8.361 -8.858 -3.316 1.00 0.00 S ATOM 731 CE MET A 432 9.720 -10.015 -3.151 1.00 0.00 C ATOM 0 H MET A 432 8.601 -4.948 -1.325 1.00 0.00 H new ATOM 0 HA MET A 432 10.769 -6.297 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 432 10.129 -8.217 -1.093 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.617 -7.426 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.457 -6.496 -2.950 1.00 0.00 H new ATOM 0 HG3 MET A 432 10.031 -7.146 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.518 -10.902 -3.752 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.641 -9.545 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.828 -10.303 -2.105 1.00 0.00 H new ATOM 741 N GLU A 433 11.974 -6.741 -2.471 1.00 0.00 N ATOM 742 CA GLU A 433 13.024 -6.562 -3.463 1.00 0.00 C ATOM 743 C GLU A 433 12.535 -5.687 -4.612 1.00 0.00 C ATOM 744 O GLU A 433 13.124 -4.647 -4.916 1.00 0.00 O ATOM 745 CB GLU A 433 13.479 -7.927 -3.982 1.00 0.00 C ATOM 746 CG GLU A 433 14.599 -7.858 -5.004 1.00 0.00 C ATOM 747 CD GLU A 433 15.109 -9.229 -5.384 1.00 0.00 C ATOM 748 OE1 GLU A 433 14.364 -9.982 -6.046 1.00 0.00 O ATOM 749 OE2 GLU A 433 16.254 -9.564 -5.016 1.00 0.00 O ATOM 0 H GLU A 433 11.742 -7.717 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 433 13.871 -6.060 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.808 -8.534 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.625 -8.437 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.243 -7.344 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.420 -7.265 -4.601 1.00 0.00 H new ATOM 756 N ASN A 434 11.439 -6.102 -5.226 1.00 0.00 N ATOM 757 CA ASN A 434 10.856 -5.366 -6.335 1.00 0.00 C ATOM 758 C ASN A 434 9.679 -4.518 -5.853 1.00 0.00 C ATOM 759 O ASN A 434 8.573 -4.596 -6.389 1.00 0.00 O ATOM 760 CB ASN A 434 10.403 -6.340 -7.426 1.00 0.00 C ATOM 761 CG ASN A 434 10.061 -5.646 -8.728 1.00 0.00 C ATOM 762 OD1 ASN A 434 10.640 -4.615 -9.073 1.00 0.00 O ATOM 763 ND2 ASN A 434 9.115 -6.207 -9.457 1.00 0.00 N ATOM 0 H ASN A 434 10.933 -6.950 -4.973 1.00 0.00 H new ATOM 0 HA ASN A 434 11.611 -4.698 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.192 -7.070 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 434 9.532 -6.892 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.838 -5.786 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.661 -7.061 -9.134 1.00 0.00 H new ATOM 770 N GLY A 435 9.920 -3.727 -4.814 1.00 0.00 N ATOM 771 CA GLY A 435 8.909 -2.791 -4.344 1.00 0.00 C ATOM 772 C GLY A 435 7.842 -3.438 -3.473 1.00 0.00 C ATOM 773 O GLY A 435 8.027 -4.555 -2.998 1.00 0.00 O ATOM 0 H GLY A 435 10.794 -3.715 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.396 -1.996 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.430 -2.323 -5.204 1.00 0.00 H new ATOM 777 N TRP A 436 6.735 -2.720 -3.256 1.00 0.00 N ATOM 778 CA TRP A 436 5.605 -3.227 -2.474 1.00 0.00 C ATOM 779 C TRP A 436 5.222 -4.630 -2.954 1.00 0.00 C ATOM 780 O TRP A 436 4.769 -4.809 -4.087 1.00 0.00 O ATOM 781 CB TRP A 436 4.395 -2.300 -2.636 1.00 0.00 C ATOM 782 CG TRP A 436 4.582 -0.884 -2.164 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.453 0.254 -2.917 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.893 -0.449 -0.835 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.649 1.362 -2.135 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.925 0.960 -0.857 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.145 -1.109 0.370 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.193 1.715 0.277 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.416 -0.357 1.497 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.435 1.043 1.444 1.00 0.00 C ATOM 0 H TRP A 436 6.598 -1.776 -3.616 1.00 0.00 H new ATOM 0 HA TRP A 436 5.900 -3.265 -1.425 1.00 0.00 H new ATOM 0 HB2 TRP A 436 4.118 -2.277 -3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.554 -2.734 -2.095 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.229 0.274 -3.973 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.597 2.329 -2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.128 -2.188 0.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.210 2.794 0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.616 -0.856 2.434 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.645 1.603 2.343 1.00 0.00 H new ATOM 801 N SER A 437 5.395 -5.613 -2.077 1.00 0.00 N ATOM 802 CA SER A 437 5.192 -7.014 -2.428 1.00 0.00 C ATOM 803 C SER A 437 3.707 -7.330 -2.636 1.00 0.00 C ATOM 804 O SER A 437 3.333 -7.833 -3.692 1.00 0.00 O ATOM 805 CB SER A 437 5.825 -7.926 -1.372 1.00 0.00 C ATOM 806 OG SER A 437 5.606 -9.299 -1.657 1.00 0.00 O ATOM 0 H SER A 437 5.678 -5.463 -1.109 1.00 0.00 H new ATOM 0 HA SER A 437 5.691 -7.204 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.896 -7.733 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.411 -7.688 -0.392 1.00 0.00 H new ATOM 0 HG SER A 437 6.326 -9.633 -2.232 1.00 0.00 H new ATOM 812 N PRO A 438 2.831 -7.054 -1.644 1.00 0.00 N ATOM 813 CA PRO A 438 1.381 -7.176 -1.830 1.00 0.00 C ATOM 814 C PRO A 438 0.856 -6.206 -2.884 1.00 0.00 C ATOM 815 O PRO A 438 -0.142 -6.484 -3.545 1.00 0.00 O ATOM 816 CB PRO A 438 0.815 -6.805 -0.457 1.00 0.00 C ATOM 817 CG PRO A 438 1.928 -7.035 0.491 1.00 0.00 C ATOM 818 CD PRO A 438 3.160 -6.659 -0.263 1.00 0.00 C ATOM 0 HA PRO A 438 1.097 -8.170 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.485 -5.766 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.050 -7.420 -0.207 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.814 -6.428 1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.964 -8.076 0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.371 -5.592 -0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.039 -7.185 0.110 1.00 0.00 H new ATOM 826 N THR A 439 1.553 -5.075 -3.032 1.00 0.00 N ATOM 827 CA THR A 439 1.142 -4.004 -3.938 1.00 0.00 C ATOM 828 C THR A 439 -0.119 -3.301 -3.425 1.00 0.00 C ATOM 829 O THR A 439 -1.200 -3.888 -3.371 1.00 0.00 O ATOM 830 CB THR A 439 0.922 -4.526 -5.373 1.00 0.00 C ATOM 831 OG1 THR A 439 2.119 -5.170 -5.834 1.00 0.00 O ATOM 832 CG2 THR A 439 0.561 -3.394 -6.324 1.00 0.00 C ATOM 0 H THR A 439 2.417 -4.879 -2.526 1.00 0.00 H new ATOM 0 HA THR A 439 1.954 -3.278 -3.967 1.00 0.00 H new ATOM 0 HB THR A 439 0.094 -5.235 -5.355 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.853 -4.980 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.413 -3.795 -7.327 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.357 -2.913 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.369 -2.662 -6.342 1.00 0.00 H new ATOM 840 N PRO A 440 0.013 -2.022 -3.041 1.00 0.00 N ATOM 841 CA PRO A 440 -1.075 -1.261 -2.449 1.00 0.00 C ATOM 842 C PRO A 440 -2.062 -0.750 -3.490 1.00 0.00 C ATOM 843 O PRO A 440 -2.006 0.406 -3.911 1.00 0.00 O ATOM 844 CB PRO A 440 -0.379 -0.095 -1.744 1.00 0.00 C ATOM 845 CG PRO A 440 1.010 -0.026 -2.294 1.00 0.00 C ATOM 846 CD PRO A 440 1.230 -1.220 -3.184 1.00 0.00 C ATOM 0 HA PRO A 440 -1.670 -1.876 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.912 0.839 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.361 -0.251 -0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.149 0.897 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.739 -0.018 -1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.385 -0.918 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.113 -1.783 -2.880 1.00 0.00 H new ATOM 854 N ARG A 441 -2.955 -1.626 -3.905 1.00 0.00 N ATOM 855 CA ARG A 441 -4.030 -1.261 -4.805 1.00 0.00 C ATOM 856 C ARG A 441 -5.282 -2.018 -4.399 1.00 0.00 C ATOM 857 O ARG A 441 -5.333 -3.248 -4.451 1.00 0.00 O ATOM 858 CB ARG A 441 -3.669 -1.547 -6.270 1.00 0.00 C ATOM 859 CG ARG A 441 -3.297 -2.995 -6.557 1.00 0.00 C ATOM 860 CD ARG A 441 -3.203 -3.263 -8.050 1.00 0.00 C ATOM 861 NE ARG A 441 -4.500 -3.124 -8.720 1.00 0.00 N ATOM 862 CZ ARG A 441 -4.715 -3.456 -9.995 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.719 -3.911 -10.742 1.00 0.00 N ATOM 864 NH2 ARG A 441 -5.922 -3.330 -10.526 1.00 0.00 N ATOM 0 H ARG A 441 -2.956 -2.608 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.205 -0.188 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.514 -1.271 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -2.835 -0.907 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.342 -3.227 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.041 -3.657 -6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.489 -2.572 -8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.818 -4.269 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.282 -2.753 -8.181 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -2.785 -4.008 -10.343 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.886 -4.164 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.694 -2.977 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.079 -3.585 -11.501 1.00 0.00 H new ATOM 878 N CYS A 442 -6.275 -1.286 -3.960 1.00 0.00 N ATOM 879 CA CYS A 442 -7.472 -1.895 -3.425 1.00 0.00 C ATOM 880 C CYS A 442 -8.421 -2.311 -4.532 1.00 0.00 C ATOM 881 O CYS A 442 -8.888 -1.480 -5.314 1.00 0.00 O ATOM 882 CB CYS A 442 -8.156 -0.925 -2.475 1.00 0.00 C ATOM 883 SG CYS A 442 -7.082 -0.380 -1.112 1.00 0.00 S ATOM 0 H CYS A 442 -6.280 -0.266 -3.962 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.188 -2.795 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.491 -0.053 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.046 -1.399 -2.061 1.00 0.00 H new ATOM 888 N ILE A 443 -8.681 -3.604 -4.613 1.00 0.00 N ATOM 889 CA ILE A 443 -9.658 -4.125 -5.537 1.00 0.00 C ATOM 890 C ILE A 443 -11.036 -4.090 -4.898 1.00 0.00 C ATOM 891 O ILE A 443 -11.178 -4.276 -3.685 1.00 0.00 O ATOM 892 CB ILE A 443 -9.322 -5.562 -5.972 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.884 -6.409 -4.776 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.249 -5.557 -7.052 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.692 -7.872 -5.106 1.00 0.00 C ATOM 0 H ILE A 443 -8.222 -4.313 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.645 -3.496 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.225 -6.010 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.950 -6.009 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.629 -6.319 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.025 -6.582 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.607 -5.000 -7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.346 -5.085 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.382 -8.409 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.630 -8.289 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.925 -7.974 -5.874 1.00 0.00 H new ATOM 907 N ARG A 444 -12.042 -3.811 -5.709 1.00 0.00 N ATOM 908 CA ARG A 444 -13.402 -3.739 -5.250 1.00 0.00 C ATOM 909 C ARG A 444 -13.916 -5.108 -4.876 1.00 0.00 C ATOM 910 O ARG A 444 -13.952 -6.026 -5.697 1.00 0.00 O ATOM 911 CB ARG A 444 -14.260 -3.104 -6.341 1.00 0.00 C ATOM 912 CG ARG A 444 -15.737 -3.276 -6.118 1.00 0.00 C ATOM 913 CD ARG A 444 -16.550 -2.532 -7.161 1.00 0.00 C ATOM 914 NE ARG A 444 -16.100 -2.830 -8.524 1.00 0.00 N ATOM 915 CZ ARG A 444 -16.371 -2.063 -9.582 1.00 0.00 C ATOM 916 NH1 ARG A 444 -17.172 -1.011 -9.459 1.00 0.00 N ATOM 917 NH2 ARG A 444 -15.849 -2.358 -10.767 1.00 0.00 N ATOM 0 H ARG A 444 -11.929 -3.629 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.452 -3.122 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.031 -2.040 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -13.992 -3.541 -7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.989 -4.336 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.000 -2.914 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.602 -2.800 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.476 -1.460 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 444 -15.547 -3.674 -8.673 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.583 -0.786 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -17.376 -0.428 -10.271 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -15.241 -3.171 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -16.056 -1.772 -11.576 1.00 0.00 H new ATOM 931 N VAL A 445 -14.302 -5.229 -3.624 1.00 0.00 N ATOM 932 CA VAL A 445 -14.757 -6.488 -3.093 1.00 0.00 C ATOM 933 C VAL A 445 -16.276 -6.587 -3.196 1.00 0.00 C ATOM 934 O VAL A 445 -16.830 -7.666 -3.408 1.00 0.00 O ATOM 935 CB VAL A 445 -14.287 -6.663 -1.631 1.00 0.00 C ATOM 936 CG1 VAL A 445 -15.007 -5.708 -0.688 1.00 0.00 C ATOM 937 CG2 VAL A 445 -14.446 -8.105 -1.176 1.00 0.00 C ATOM 0 H VAL A 445 -14.308 -4.461 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.322 -7.294 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 445 -13.227 -6.413 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.649 -5.862 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.809 -4.680 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -16.080 -5.897 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -14.108 -8.200 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -15.495 -8.394 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.849 -8.756 -1.815 1.00 0.00 H new ATOM 947 N LYS A 446 -16.939 -5.442 -3.085 1.00 0.00 N ATOM 948 CA LYS A 446 -18.387 -5.379 -3.170 1.00 0.00 C ATOM 949 C LYS A 446 -18.817 -4.209 -4.044 1.00 0.00 C ATOM 950 O LYS A 446 -19.150 -4.448 -5.221 1.00 0.00 O ATOM 951 CB LYS A 446 -19.004 -5.265 -1.778 1.00 0.00 C ATOM 952 CG LYS A 446 -18.958 -6.561 -0.980 1.00 0.00 C ATOM 953 CD LYS A 446 -19.774 -7.669 -1.637 1.00 0.00 C ATOM 954 CE LYS A 446 -21.271 -7.526 -1.369 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.863 -6.308 -1.992 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.805 -3.062 -3.558 1.00 0.00 O ATOM 0 H LYS A 446 -16.489 -4.539 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.745 -6.301 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.481 -4.487 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -20.041 -4.945 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.923 -6.886 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.337 -6.380 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.597 -7.658 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.432 -8.636 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.788 -8.408 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -21.440 -7.495 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.819 -6.525 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -21.915 -5.547 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.268 -6.001 -2.788 1.00 0.00 H new TER 970 LYS A 446