USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=14 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 USER MOD Single : A 388 LYS NZ :NH3+ 161:sc= -0.0793 (180deg=-0.414) USER MOD Single : A 390 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.6) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.5!) USER MOD Single : A 400 GLN : amide:sc= -3.23! C(o=-3.2!,f=-4.4!) USER MOD Single : A 401 ASN : amide:sc= 0.127 K(o=0.13,f=-7.2!) USER MOD Single : A 402 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 405 LYS NZ :NH3+ -169:sc=-0.00642 (180deg=-0.121) USER MOD Single : A 408 GLN : amide:sc= -4.02! K(o=-4!,f=-5.3) USER MOD Single : A 410 LYS NZ :NH3+ -168:sc=-0.00457 (180deg=-0.107) USER MOD Single : A 411 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 417 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-5.1!) USER MOD Single : A 420 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.504 K(o=-0.5,f=-1.9) USER MOD Single : A 430 THR OG1 : rot 73:sc= -0.066 USER MOD Single : A 432 MET CE :methyl -158:sc= -0.157 (180deg=-0.739) USER MOD Single : A 434 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.4!) USER MOD Single : A 437 SER OG : rot 130:sc= -3.7! USER MOD Single : A 439 THR OG1 : rot -15:sc= 0.197 USER MOD Single : A 446 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.829 0.095 -0.391 1.00 0.00 N ATOM 2 CA LEU A 386 19.013 0.942 -1.553 1.00 0.00 C ATOM 3 C LEU A 386 17.746 0.991 -2.390 1.00 0.00 C ATOM 4 O LEU A 386 17.507 1.952 -3.123 1.00 0.00 O ATOM 5 CB LEU A 386 20.186 0.430 -2.385 1.00 0.00 C ATOM 6 CG LEU A 386 21.559 0.542 -1.716 1.00 0.00 C ATOM 7 CD1 LEU A 386 22.639 -0.058 -2.604 1.00 0.00 C ATOM 8 CD2 LEU A 386 21.881 1.996 -1.399 1.00 0.00 C ATOM 0 HA LEU A 386 19.233 1.955 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 386 20.005 -0.616 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 386 20.212 0.981 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 386 21.531 -0.019 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 386 23.607 0.032 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 386 22.419 -1.110 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 386 22.666 0.474 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 386 22.860 2.057 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 386 21.889 2.576 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 386 21.125 2.397 -0.724 1.00 0.00 H new ATOM 20 N ARG A 387 16.937 -0.049 -2.286 1.00 0.00 N ATOM 21 CA ARG A 387 15.649 -0.069 -2.951 1.00 0.00 C ATOM 22 C ARG A 387 14.606 0.637 -2.106 1.00 0.00 C ATOM 23 O ARG A 387 14.046 0.061 -1.173 1.00 0.00 O ATOM 24 CB ARG A 387 15.204 -1.501 -3.249 1.00 0.00 C ATOM 25 CG ARG A 387 15.899 -2.118 -4.451 1.00 0.00 C ATOM 26 CD ARG A 387 15.695 -1.267 -5.698 1.00 0.00 C ATOM 27 NE ARG A 387 14.282 -0.962 -5.928 1.00 0.00 N ATOM 28 CZ ARG A 387 13.854 0.123 -6.577 1.00 0.00 C ATOM 29 NH1 ARG A 387 14.728 1.015 -7.035 1.00 0.00 N ATOM 30 NH2 ARG A 387 12.554 0.325 -6.751 1.00 0.00 N ATOM 0 H ARG A 387 17.150 -0.889 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 387 15.753 0.459 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.394 -2.121 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.127 -1.510 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.965 -2.219 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.511 -3.122 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.255 -0.337 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.099 -1.791 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 387 13.585 -1.616 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 387 15.727 0.871 -6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 387 14.399 1.843 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 387 11.880 -0.349 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 387 12.229 1.155 -7.247 1.00 0.00 H new ATOM 44 N LYS A 388 14.390 1.904 -2.405 1.00 0.00 N ATOM 45 CA LYS A 388 13.325 2.658 -1.774 1.00 0.00 C ATOM 46 C LYS A 388 12.011 2.399 -2.491 1.00 0.00 C ATOM 47 O LYS A 388 11.984 2.174 -3.703 1.00 0.00 O ATOM 48 CB LYS A 388 13.632 4.154 -1.788 1.00 0.00 C ATOM 49 CG LYS A 388 14.899 4.531 -1.041 1.00 0.00 C ATOM 50 CD LYS A 388 14.772 4.264 0.446 1.00 0.00 C ATOM 51 CE LYS A 388 15.967 4.803 1.212 1.00 0.00 C ATOM 52 NZ LYS A 388 16.081 6.281 1.090 1.00 0.00 N ATOM 0 H LYS A 388 14.939 2.433 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 388 13.245 2.331 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.719 4.487 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.791 4.691 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.740 3.965 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.118 5.586 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 388 13.859 4.725 0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.682 3.191 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 388 15.877 4.531 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.879 4.336 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 16.683 6.647 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.505 6.522 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.136 6.709 1.158 1.00 0.00 H new ATOM 66 N CYS A 389 10.933 2.438 -1.741 1.00 0.00 N ATOM 67 CA CYS A 389 9.610 2.199 -2.287 1.00 0.00 C ATOM 68 C CYS A 389 8.705 3.398 -2.052 1.00 0.00 C ATOM 69 O CYS A 389 8.424 3.773 -0.912 1.00 0.00 O ATOM 70 CB CYS A 389 8.995 0.932 -1.686 1.00 0.00 C ATOM 71 SG CYS A 389 9.600 -0.615 -2.441 1.00 0.00 S ATOM 0 H CYS A 389 10.945 2.635 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 389 9.709 2.052 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 389 9.206 0.910 -0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.912 0.979 -1.796 1.00 0.00 H new ATOM 76 N TYR A 390 8.270 4.004 -3.142 1.00 0.00 N ATOM 77 CA TYR A 390 7.416 5.180 -3.088 1.00 0.00 C ATOM 78 C TYR A 390 5.958 4.768 -2.915 1.00 0.00 C ATOM 79 O TYR A 390 5.457 3.913 -3.647 1.00 0.00 O ATOM 80 CB TYR A 390 7.601 5.983 -4.375 1.00 0.00 C ATOM 81 CG TYR A 390 6.817 7.271 -4.435 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.295 8.424 -3.830 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.609 7.338 -5.115 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.590 9.607 -3.897 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.901 8.520 -5.191 1.00 0.00 C ATOM 86 CZ TYR A 390 5.395 9.649 -4.581 1.00 0.00 C ATOM 87 OH TYR A 390 4.695 10.831 -4.664 1.00 0.00 O ATOM 0 H TYR A 390 8.497 3.697 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 390 7.693 5.797 -2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.660 6.213 -4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.313 5.359 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.234 8.395 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.217 6.452 -5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 390 6.972 10.495 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.964 8.558 -5.727 1.00 0.00 H new ATOM 0 HH TYR A 390 3.875 10.690 -5.182 1.00 0.00 H new ATOM 97 N PHE A 391 5.287 5.357 -1.935 1.00 0.00 N ATOM 98 CA PHE A 391 3.885 5.052 -1.688 1.00 0.00 C ATOM 99 C PHE A 391 3.008 5.693 -2.762 1.00 0.00 C ATOM 100 O PHE A 391 2.987 6.918 -2.912 1.00 0.00 O ATOM 101 CB PHE A 391 3.462 5.536 -0.301 1.00 0.00 C ATOM 102 CG PHE A 391 2.135 4.991 0.151 1.00 0.00 C ATOM 103 CD1 PHE A 391 2.062 3.771 0.803 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.965 5.696 -0.074 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.847 3.267 1.224 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.253 5.198 0.344 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.313 3.980 0.993 1.00 0.00 C ATOM 0 H PHE A 391 5.689 6.046 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 391 3.757 3.970 -1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.227 5.252 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.415 6.625 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.965 3.208 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 391 1.006 6.648 -0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.804 2.316 1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.158 5.760 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.264 3.586 1.319 1.00 0.00 H new ATOM 117 N PRO A 392 2.272 4.865 -3.514 1.00 0.00 N ATOM 118 CA PRO A 392 1.481 5.319 -4.655 1.00 0.00 C ATOM 119 C PRO A 392 0.136 5.901 -4.249 1.00 0.00 C ATOM 120 O PRO A 392 -0.261 5.858 -3.081 1.00 0.00 O ATOM 121 CB PRO A 392 1.288 4.035 -5.457 1.00 0.00 C ATOM 122 CG PRO A 392 1.261 2.949 -4.437 1.00 0.00 C ATOM 123 CD PRO A 392 2.130 3.411 -3.294 1.00 0.00 C ATOM 0 HA PRO A 392 1.972 6.124 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.361 4.062 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.100 3.888 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.242 2.761 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.635 2.015 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.668 3.197 -2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.098 2.910 -3.302 1.00 0.00 H new ATOM 131 N TYR A 393 -0.554 6.458 -5.225 1.00 0.00 N ATOM 132 CA TYR A 393 -1.853 7.053 -5.002 1.00 0.00 C ATOM 133 C TYR A 393 -2.956 6.042 -5.287 1.00 0.00 C ATOM 134 O TYR A 393 -3.071 5.534 -6.400 1.00 0.00 O ATOM 135 CB TYR A 393 -2.015 8.291 -5.887 1.00 0.00 C ATOM 136 CG TYR A 393 -3.394 8.906 -5.828 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.012 9.136 -4.610 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.081 9.244 -6.987 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.270 9.689 -4.542 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.346 9.800 -6.928 1.00 0.00 C ATOM 141 CZ TYR A 393 -5.935 10.020 -5.700 1.00 0.00 C ATOM 142 OH TYR A 393 -7.191 10.576 -5.628 1.00 0.00 O ATOM 0 H TYR A 393 -0.230 6.510 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 393 -1.931 7.355 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.281 9.039 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -1.792 8.020 -6.919 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.497 8.876 -3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -3.621 9.070 -7.948 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.734 9.863 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -5.869 10.060 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.523 10.753 -6.533 1.00 0.00 H new ATOM 152 N LEU A 394 -3.750 5.745 -4.274 1.00 0.00 N ATOM 153 CA LEU A 394 -4.867 4.830 -4.428 1.00 0.00 C ATOM 154 C LEU A 394 -6.104 5.606 -4.856 1.00 0.00 C ATOM 155 O LEU A 394 -6.464 6.613 -4.243 1.00 0.00 O ATOM 156 CB LEU A 394 -5.137 4.065 -3.127 1.00 0.00 C ATOM 157 CG LEU A 394 -4.008 3.138 -2.658 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.888 3.923 -1.995 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.548 2.088 -1.708 1.00 0.00 C ATOM 0 H LEU A 394 -3.642 6.125 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.616 4.099 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.342 4.788 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.041 3.470 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.596 2.642 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.104 3.237 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.475 4.639 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.281 4.456 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.735 1.438 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.990 2.576 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.307 1.494 -2.216 1.00 0.00 H new ATOM 171 N GLU A 395 -6.738 5.116 -5.917 1.00 0.00 N ATOM 172 CA GLU A 395 -7.840 5.814 -6.580 1.00 0.00 C ATOM 173 C GLU A 395 -9.001 6.096 -5.636 1.00 0.00 C ATOM 174 O GLU A 395 -9.703 7.098 -5.787 1.00 0.00 O ATOM 175 CB GLU A 395 -8.346 4.987 -7.764 1.00 0.00 C ATOM 176 CG GLU A 395 -7.292 4.730 -8.827 1.00 0.00 C ATOM 177 CD GLU A 395 -6.744 6.007 -9.422 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.539 6.815 -9.935 1.00 0.00 O ATOM 179 OE2 GLU A 395 -5.515 6.212 -9.377 1.00 0.00 O ATOM 0 H GLU A 395 -6.503 4.220 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.449 6.771 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.717 4.031 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.191 5.502 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -6.474 4.156 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.723 4.119 -9.620 1.00 0.00 H new ATOM 186 N ASN A 396 -9.215 5.210 -4.679 1.00 0.00 N ATOM 187 CA ASN A 396 -10.327 5.356 -3.749 1.00 0.00 C ATOM 188 C ASN A 396 -9.973 4.818 -2.367 1.00 0.00 C ATOM 189 O ASN A 396 -10.747 4.090 -1.743 1.00 0.00 O ATOM 190 CB ASN A 396 -11.591 4.676 -4.298 1.00 0.00 C ATOM 191 CG ASN A 396 -11.339 3.289 -4.873 1.00 0.00 C ATOM 192 OD1 ASN A 396 -10.456 2.558 -4.426 1.00 0.00 O ATOM 193 ND2 ASN A 396 -12.107 2.929 -5.892 1.00 0.00 N ATOM 0 H ASN A 396 -8.637 4.384 -4.524 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.533 6.421 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.328 4.600 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.025 5.308 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.976 2.019 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.829 3.562 -6.235 1.00 0.00 H new ATOM 200 N GLY A 397 -8.803 5.203 -1.885 1.00 0.00 N ATOM 201 CA GLY A 397 -8.379 4.813 -0.557 1.00 0.00 C ATOM 202 C GLY A 397 -7.863 5.999 0.226 1.00 0.00 C ATOM 203 O GLY A 397 -7.690 7.080 -0.333 1.00 0.00 O ATOM 0 H GLY A 397 -8.135 5.783 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.215 4.359 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.599 4.055 -0.630 1.00 0.00 H new ATOM 207 N TYR A 398 -7.609 5.804 1.511 1.00 0.00 N ATOM 208 CA TYR A 398 -7.114 6.881 2.359 1.00 0.00 C ATOM 209 C TYR A 398 -5.597 6.964 2.244 1.00 0.00 C ATOM 210 O TYR A 398 -4.877 6.101 2.749 1.00 0.00 O ATOM 211 CB TYR A 398 -7.530 6.652 3.816 1.00 0.00 C ATOM 212 CG TYR A 398 -9.025 6.498 4.015 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.861 7.607 4.062 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.599 5.240 4.155 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.226 7.463 4.241 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.960 5.090 4.332 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.768 6.202 4.377 1.00 0.00 C ATOM 218 OH TYR A 398 -13.125 6.052 4.551 1.00 0.00 O ATOM 0 H TYR A 398 -7.737 4.913 1.990 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.549 7.824 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.030 5.758 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.178 7.489 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.440 8.596 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.969 4.364 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.864 8.334 4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.388 4.104 4.435 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.341 5.099 4.629 1.00 0.00 H new ATOM 228 N ASN A 399 -5.114 7.998 1.567 1.00 0.00 N ATOM 229 CA ASN A 399 -3.689 8.122 1.276 1.00 0.00 C ATOM 230 C ASN A 399 -2.956 8.800 2.424 1.00 0.00 C ATOM 231 O ASN A 399 -2.622 9.983 2.342 1.00 0.00 O ATOM 232 CB ASN A 399 -3.449 8.943 0.007 1.00 0.00 C ATOM 233 CG ASN A 399 -4.531 8.787 -1.046 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.969 9.769 -1.632 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.946 7.559 -1.324 1.00 0.00 N ATOM 0 H ASN A 399 -5.686 8.763 1.209 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.308 7.110 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.370 9.996 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.492 8.652 -0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.651 7.410 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -4.560 6.763 -0.816 1.00 0.00 H new ATOM 242 N GLN A 400 -2.703 8.061 3.491 1.00 0.00 N ATOM 243 CA GLN A 400 -1.950 8.599 4.616 1.00 0.00 C ATOM 244 C GLN A 400 -0.510 8.894 4.213 1.00 0.00 C ATOM 245 O GLN A 400 0.084 9.870 4.664 1.00 0.00 O ATOM 246 CB GLN A 400 -1.960 7.628 5.800 1.00 0.00 C ATOM 247 CG GLN A 400 -3.217 7.695 6.658 1.00 0.00 C ATOM 248 CD GLN A 400 -4.483 7.400 5.884 1.00 0.00 C ATOM 249 OE1 GLN A 400 -5.130 8.307 5.358 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.832 6.129 5.791 1.00 0.00 N ATOM 0 H GLN A 400 -3.005 7.093 3.604 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.433 9.528 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.847 6.612 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.094 7.833 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -3.127 6.984 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.293 8.687 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.266 5.410 6.243 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.667 5.866 5.267 1.00 0.00 H new ATOM 259 N ASN A 401 0.038 8.062 3.342 1.00 0.00 N ATOM 260 CA ASN A 401 1.447 8.160 2.989 1.00 0.00 C ATOM 261 C ASN A 401 1.643 8.626 1.552 1.00 0.00 C ATOM 262 O ASN A 401 2.653 8.298 0.930 1.00 0.00 O ATOM 263 CB ASN A 401 2.137 6.803 3.179 1.00 0.00 C ATOM 264 CG ASN A 401 2.173 6.349 4.623 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.247 7.162 5.542 1.00 0.00 O ATOM 266 ND2 ASN A 401 2.130 5.043 4.833 1.00 0.00 N ATOM 0 H ASN A 401 -0.468 7.314 2.868 1.00 0.00 H new ATOM 0 HA ASN A 401 1.894 8.901 3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.619 6.053 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.157 6.865 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 401 2.158 4.678 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 401 2.069 4.401 4.043 1.00 0.00 H new ATOM 273 N HIS A 402 0.693 9.390 1.021 1.00 0.00 N ATOM 274 CA HIS A 402 0.795 9.857 -0.360 1.00 0.00 C ATOM 275 C HIS A 402 2.040 10.711 -0.557 1.00 0.00 C ATOM 276 O HIS A 402 2.118 11.837 -0.069 1.00 0.00 O ATOM 277 CB HIS A 402 -0.441 10.657 -0.780 1.00 0.00 C ATOM 278 CG HIS A 402 -0.400 11.087 -2.220 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.740 12.352 -2.643 1.00 0.00 N ATOM 280 CD2 HIS A 402 -0.049 10.404 -3.337 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.606 12.428 -3.954 1.00 0.00 C ATOM 282 NE2 HIS A 402 -0.186 11.260 -4.398 1.00 0.00 N ATOM 0 H HIS A 402 -0.145 9.696 1.516 1.00 0.00 H new ATOM 0 HA HIS A 402 0.864 8.969 -0.989 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.333 10.053 -0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.529 11.539 -0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.278 9.376 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.806 13.299 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 402 0.006 11.031 -5.373 1.00 0.00 H new ATOM 291 N GLY A 403 3.012 10.163 -1.270 1.00 0.00 N ATOM 292 CA GLY A 403 4.198 10.921 -1.598 1.00 0.00 C ATOM 293 C GLY A 403 5.342 10.653 -0.646 1.00 0.00 C ATOM 294 O GLY A 403 6.313 11.408 -0.601 1.00 0.00 O ATOM 0 H GLY A 403 3.000 9.207 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.511 10.678 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.960 11.985 -1.584 1.00 0.00 H new ATOM 298 N ARG A 404 5.231 9.582 0.122 1.00 0.00 N ATOM 299 CA ARG A 404 6.273 9.219 1.067 1.00 0.00 C ATOM 300 C ARG A 404 7.145 8.102 0.518 1.00 0.00 C ATOM 301 O ARG A 404 6.653 7.156 -0.104 1.00 0.00 O ATOM 302 CB ARG A 404 5.665 8.821 2.412 1.00 0.00 C ATOM 303 CG ARG A 404 5.065 9.998 3.157 1.00 0.00 C ATOM 304 CD ARG A 404 4.473 9.595 4.497 1.00 0.00 C ATOM 305 NE ARG A 404 4.126 10.768 5.295 1.00 0.00 N ATOM 306 CZ ARG A 404 3.158 10.801 6.213 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.444 9.718 6.483 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.915 11.925 6.870 1.00 0.00 N ATOM 0 H ARG A 404 4.431 8.950 0.110 1.00 0.00 H new ATOM 0 HA ARG A 404 6.907 10.092 1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.893 8.069 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.434 8.359 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.834 10.754 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.289 10.456 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.584 8.985 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.188 8.979 5.043 1.00 0.00 H new ATOM 0 HE ARG A 404 4.661 11.622 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.632 8.847 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.707 9.756 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.467 12.760 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.176 11.956 7.573 1.00 0.00 H new ATOM 322 N LYS A 405 8.442 8.234 0.738 1.00 0.00 N ATOM 323 CA LYS A 405 9.408 7.250 0.282 1.00 0.00 C ATOM 324 C LYS A 405 9.819 6.333 1.423 1.00 0.00 C ATOM 325 O LYS A 405 10.406 6.779 2.410 1.00 0.00 O ATOM 326 CB LYS A 405 10.646 7.941 -0.289 1.00 0.00 C ATOM 327 CG LYS A 405 10.394 8.701 -1.580 1.00 0.00 C ATOM 328 CD LYS A 405 11.636 9.463 -2.016 1.00 0.00 C ATOM 329 CE LYS A 405 11.436 10.167 -3.348 1.00 0.00 C ATOM 330 NZ LYS A 405 11.268 9.209 -4.472 1.00 0.00 N ATOM 0 H LYS A 405 8.854 9.023 1.236 1.00 0.00 H new ATOM 0 HA LYS A 405 8.938 6.654 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 405 11.039 8.633 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.418 7.192 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.097 8.004 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.566 9.397 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.897 10.197 -1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 405 12.476 8.773 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.559 10.811 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.292 10.812 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.322 9.721 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.022 8.494 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.343 8.741 -4.394 1.00 0.00 H new ATOM 344 N PHE A 406 9.502 5.056 1.284 1.00 0.00 N ATOM 345 CA PHE A 406 9.882 4.055 2.267 1.00 0.00 C ATOM 346 C PHE A 406 11.097 3.286 1.774 1.00 0.00 C ATOM 347 O PHE A 406 11.575 3.511 0.666 1.00 0.00 O ATOM 348 CB PHE A 406 8.715 3.100 2.533 1.00 0.00 C ATOM 349 CG PHE A 406 7.551 3.751 3.223 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.624 4.491 2.507 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.386 3.622 4.594 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.553 5.088 3.144 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.317 4.218 5.236 1.00 0.00 C ATOM 354 CZ PHE A 406 5.401 4.952 4.509 1.00 0.00 C ATOM 0 H PHE A 406 8.977 4.686 0.492 1.00 0.00 H new ATOM 0 HA PHE A 406 10.136 4.554 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.377 2.680 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.069 2.268 3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.740 4.602 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.101 3.049 5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.836 5.660 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.198 4.110 6.304 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.565 5.420 5.009 1.00 0.00 H new ATOM 364 N VAL A 407 11.589 2.381 2.597 1.00 0.00 N ATOM 365 CA VAL A 407 12.770 1.603 2.267 1.00 0.00 C ATOM 366 C VAL A 407 12.431 0.114 2.332 1.00 0.00 C ATOM 367 O VAL A 407 11.379 -0.253 2.862 1.00 0.00 O ATOM 368 CB VAL A 407 13.934 1.953 3.232 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.605 1.544 4.659 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.246 1.327 2.784 1.00 0.00 C ATOM 0 H VAL A 407 11.185 2.164 3.508 1.00 0.00 H new ATOM 0 HA VAL A 407 13.094 1.845 1.255 1.00 0.00 H new ATOM 0 HB VAL A 407 14.058 3.036 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.438 1.801 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.709 2.068 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.432 0.469 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.036 1.596 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.140 0.243 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.503 1.694 1.790 1.00 0.00 H new ATOM 380 N GLN A 408 13.297 -0.731 1.782 1.00 0.00 N ATOM 381 CA GLN A 408 13.080 -2.175 1.778 1.00 0.00 C ATOM 382 C GLN A 408 12.752 -2.681 3.179 1.00 0.00 C ATOM 383 O GLN A 408 13.396 -2.292 4.157 1.00 0.00 O ATOM 384 CB GLN A 408 14.322 -2.909 1.271 1.00 0.00 C ATOM 385 CG GLN A 408 14.012 -4.260 0.648 1.00 0.00 C ATOM 386 CD GLN A 408 13.623 -4.124 -0.805 1.00 0.00 C ATOM 387 OE1 GLN A 408 12.461 -3.923 -1.130 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.594 -4.254 -1.690 1.00 0.00 N ATOM 0 H GLN A 408 14.163 -0.438 1.330 1.00 0.00 H new ATOM 0 HA GLN A 408 12.239 -2.375 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 408 14.828 -2.285 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 408 15.015 -3.050 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 408 14.883 -4.909 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 408 13.203 -4.739 1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 408 15.550 -4.421 -1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.388 -4.187 -2.687 1.00 0.00 H new ATOM 397 N GLY A 409 11.745 -3.535 3.276 1.00 0.00 N ATOM 398 CA GLY A 409 11.387 -4.108 4.554 1.00 0.00 C ATOM 399 C GLY A 409 10.329 -3.310 5.290 1.00 0.00 C ATOM 400 O GLY A 409 9.724 -3.809 6.238 1.00 0.00 O ATOM 0 H GLY A 409 11.169 -3.841 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.025 -5.125 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.279 -4.178 5.177 1.00 0.00 H new ATOM 404 N LYS A 410 10.105 -2.070 4.868 1.00 0.00 N ATOM 405 CA LYS A 410 9.089 -1.234 5.482 1.00 0.00 C ATOM 406 C LYS A 410 7.706 -1.677 5.057 1.00 0.00 C ATOM 407 O LYS A 410 7.420 -1.820 3.868 1.00 0.00 O ATOM 408 CB LYS A 410 9.319 0.232 5.120 1.00 0.00 C ATOM 409 CG LYS A 410 10.429 0.890 5.922 1.00 0.00 C ATOM 410 CD LYS A 410 9.993 1.155 7.351 1.00 0.00 C ATOM 411 CE LYS A 410 11.138 1.673 8.207 1.00 0.00 C ATOM 412 NZ LYS A 410 12.170 0.631 8.454 1.00 0.00 N ATOM 0 H LYS A 410 10.614 -1.625 4.104 1.00 0.00 H new ATOM 0 HA LYS A 410 9.162 -1.339 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.558 0.302 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.393 0.785 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.310 0.249 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.717 1.828 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.180 1.881 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.601 0.236 7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.599 2.529 7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 410 10.746 2.027 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.820 0.956 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 11.708 -0.250 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 12.704 0.457 7.579 1.00 0.00 H new ATOM 426 N SER A 411 6.870 -1.921 6.044 1.00 0.00 N ATOM 427 CA SER A 411 5.512 -2.356 5.813 1.00 0.00 C ATOM 428 C SER A 411 4.541 -1.272 6.252 1.00 0.00 C ATOM 429 O SER A 411 4.929 -0.313 6.927 1.00 0.00 O ATOM 430 CB SER A 411 5.266 -3.652 6.580 1.00 0.00 C ATOM 431 OG SER A 411 3.970 -4.179 6.350 1.00 0.00 O ATOM 0 H SER A 411 7.115 -1.823 7.029 1.00 0.00 H new ATOM 0 HA SER A 411 5.356 -2.540 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.013 -4.391 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.397 -3.470 7.647 1.00 0.00 H new ATOM 0 HG SER A 411 3.859 -5.009 6.860 1.00 0.00 H new ATOM 437 N ILE A 412 3.293 -1.429 5.869 1.00 0.00 N ATOM 438 CA ILE A 412 2.262 -0.459 6.186 1.00 0.00 C ATOM 439 C ILE A 412 0.882 -1.028 5.910 1.00 0.00 C ATOM 440 O ILE A 412 0.657 -1.674 4.890 1.00 0.00 O ATOM 441 CB ILE A 412 2.435 0.846 5.378 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.373 1.872 5.779 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.383 0.575 3.874 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.528 2.387 7.194 1.00 0.00 C ATOM 0 H ILE A 412 2.962 -2.230 5.330 1.00 0.00 H new ATOM 0 HA ILE A 412 2.361 -0.231 7.247 1.00 0.00 H new ATOM 0 HB ILE A 412 3.417 1.257 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.415 2.714 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.386 1.421 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.508 1.512 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.184 -0.112 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.421 0.132 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.740 3.110 7.406 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.455 1.555 7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.500 2.868 7.302 1.00 0.00 H new ATOM 456 N ASP A 413 -0.031 -0.806 6.833 1.00 0.00 N ATOM 457 CA ASP A 413 -1.418 -1.179 6.619 1.00 0.00 C ATOM 458 C ASP A 413 -2.120 -0.078 5.846 1.00 0.00 C ATOM 459 O ASP A 413 -2.110 1.089 6.242 1.00 0.00 O ATOM 460 CB ASP A 413 -2.155 -1.473 7.938 1.00 0.00 C ATOM 461 CG ASP A 413 -2.361 -0.251 8.813 1.00 0.00 C ATOM 462 OD1 ASP A 413 -1.414 0.143 9.523 1.00 0.00 O ATOM 463 OD2 ASP A 413 -3.481 0.304 8.811 1.00 0.00 O ATOM 0 H ASP A 413 0.159 -0.371 7.736 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.434 -2.103 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -3.126 -1.912 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.592 -2.219 8.499 1.00 0.00 H new ATOM 468 N VAL A 414 -2.687 -0.444 4.717 1.00 0.00 N ATOM 469 CA VAL A 414 -3.378 0.519 3.877 1.00 0.00 C ATOM 470 C VAL A 414 -4.831 0.641 4.287 1.00 0.00 C ATOM 471 O VAL A 414 -5.523 -0.359 4.482 1.00 0.00 O ATOM 472 CB VAL A 414 -3.279 0.153 2.381 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.173 1.047 1.538 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.838 0.259 1.910 1.00 0.00 C ATOM 0 H VAL A 414 -2.685 -1.398 4.357 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.886 1.481 4.018 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.619 -0.876 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.083 0.766 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.209 0.931 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.870 2.086 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.781 -0.002 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.483 1.280 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.215 -0.425 2.487 1.00 0.00 H new ATOM 484 N ALA A 415 -5.283 1.873 4.446 1.00 0.00 N ATOM 485 CA ALA A 415 -6.649 2.129 4.835 1.00 0.00 C ATOM 486 C ALA A 415 -7.526 2.353 3.611 1.00 0.00 C ATOM 487 O ALA A 415 -7.444 3.391 2.953 1.00 0.00 O ATOM 488 CB ALA A 415 -6.717 3.324 5.773 1.00 0.00 C ATOM 0 H ALA A 415 -4.718 2.711 4.310 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.026 1.254 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.754 3.505 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.126 3.120 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.320 4.205 5.269 1.00 0.00 H new ATOM 494 N CYS A 416 -8.345 1.366 3.296 1.00 0.00 N ATOM 495 CA CYS A 416 -9.287 1.477 2.197 1.00 0.00 C ATOM 496 C CYS A 416 -10.693 1.677 2.742 1.00 0.00 C ATOM 497 O CYS A 416 -10.987 1.297 3.878 1.00 0.00 O ATOM 498 CB CYS A 416 -9.234 0.226 1.316 1.00 0.00 C ATOM 499 SG CYS A 416 -7.655 -0.002 0.436 1.00 0.00 S ATOM 0 H CYS A 416 -8.377 0.474 3.789 1.00 0.00 H new ATOM 0 HA CYS A 416 -9.015 2.338 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.421 -0.650 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.041 0.276 0.585 1.00 0.00 H new ATOM 504 N HIS A 417 -11.548 2.300 1.945 1.00 0.00 N ATOM 505 CA HIS A 417 -12.940 2.498 2.323 1.00 0.00 C ATOM 506 C HIS A 417 -13.689 1.185 2.219 1.00 0.00 C ATOM 507 O HIS A 417 -13.400 0.346 1.372 1.00 0.00 O ATOM 508 CB HIS A 417 -13.575 3.588 1.445 1.00 0.00 C ATOM 509 CG HIS A 417 -15.076 3.731 1.476 1.00 0.00 C ATOM 510 ND1 HIS A 417 -15.937 2.885 0.808 1.00 0.00 N ATOM 511 CD2 HIS A 417 -15.863 4.652 2.086 1.00 0.00 C ATOM 512 CE1 HIS A 417 -17.184 3.279 1.007 1.00 0.00 C ATOM 513 NE2 HIS A 417 -17.165 4.346 1.777 1.00 0.00 N ATOM 0 H HIS A 417 -11.302 2.678 1.030 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.996 2.836 3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.141 4.545 1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -13.278 3.402 0.413 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -15.527 5.474 2.701 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -18.068 2.805 0.606 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -17.986 4.863 2.093 1.00 0.00 H new ATOM 522 N PRO A 418 -14.661 1.039 3.104 1.00 0.00 N ATOM 523 CA PRO A 418 -15.491 -0.157 3.253 1.00 0.00 C ATOM 524 C PRO A 418 -15.990 -0.676 1.910 1.00 0.00 C ATOM 525 O PRO A 418 -16.661 0.040 1.163 1.00 0.00 O ATOM 526 CB PRO A 418 -16.645 0.357 4.116 1.00 0.00 C ATOM 527 CG PRO A 418 -16.043 1.450 4.928 1.00 0.00 C ATOM 528 CD PRO A 418 -15.038 2.099 4.026 1.00 0.00 C ATOM 0 HA PRO A 418 -14.956 -1.001 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.467 0.725 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.049 -0.432 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.801 2.164 5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.569 1.057 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.465 2.953 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.178 2.467 4.585 1.00 0.00 H new ATOM 536 N GLY A 419 -15.635 -1.915 1.601 1.00 0.00 N ATOM 537 CA GLY A 419 -15.950 -2.483 0.308 1.00 0.00 C ATOM 538 C GLY A 419 -14.700 -2.670 -0.527 1.00 0.00 C ATOM 539 O GLY A 419 -14.693 -3.420 -1.504 1.00 0.00 O ATOM 0 H GLY A 419 -15.130 -2.541 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.449 -3.443 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.648 -1.832 -0.218 1.00 0.00 H new ATOM 543 N TYR A 420 -13.640 -1.981 -0.132 1.00 0.00 N ATOM 544 CA TYR A 420 -12.355 -2.087 -0.802 1.00 0.00 C ATOM 545 C TYR A 420 -11.328 -2.690 0.141 1.00 0.00 C ATOM 546 O TYR A 420 -11.258 -2.320 1.313 1.00 0.00 O ATOM 547 CB TYR A 420 -11.881 -0.715 -1.284 1.00 0.00 C ATOM 548 CG TYR A 420 -12.818 -0.071 -2.276 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.875 -0.517 -3.589 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.648 0.980 -1.902 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.732 0.060 -4.502 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.509 1.564 -2.813 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.544 1.101 -4.111 1.00 0.00 C ATOM 554 OH TYR A 420 -15.403 1.671 -5.024 1.00 0.00 O ATOM 0 H TYR A 420 -13.647 -1.336 0.658 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.470 -2.736 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.766 -0.056 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.896 -0.819 -1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.237 -1.330 -3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.620 1.345 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.766 -0.303 -5.519 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.150 2.378 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.908 2.392 -4.593 1.00 0.00 H new ATOM 564 N ALA A 421 -10.542 -3.619 -0.375 1.00 0.00 N ATOM 565 CA ALA A 421 -9.534 -4.299 0.419 1.00 0.00 C ATOM 566 C ALA A 421 -8.272 -4.516 -0.405 1.00 0.00 C ATOM 567 O ALA A 421 -8.210 -4.130 -1.574 1.00 0.00 O ATOM 568 CB ALA A 421 -10.075 -5.630 0.927 1.00 0.00 C ATOM 0 H ALA A 421 -10.584 -3.921 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.283 -3.676 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.310 -6.131 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.956 -5.453 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.346 -6.260 0.080 1.00 0.00 H new ATOM 574 N LEU A 422 -7.270 -5.128 0.207 1.00 0.00 N ATOM 575 CA LEU A 422 -6.026 -5.424 -0.482 1.00 0.00 C ATOM 576 C LEU A 422 -6.002 -6.865 -0.966 1.00 0.00 C ATOM 577 O LEU A 422 -6.613 -7.752 -0.364 1.00 0.00 O ATOM 578 CB LEU A 422 -4.828 -5.150 0.428 1.00 0.00 C ATOM 579 CG LEU A 422 -4.509 -3.674 0.642 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.566 -3.500 1.817 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.899 -3.077 -0.616 1.00 0.00 C ATOM 0 H LEU A 422 -7.295 -5.429 1.181 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.960 -4.770 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.014 -5.611 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.950 -5.639 0.006 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.438 -3.148 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.349 -2.441 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -4.032 -3.896 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.638 -4.038 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.677 -2.023 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.979 -3.607 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.604 -3.172 -1.442 1.00 0.00 H new ATOM 593 N PRO A 423 -5.294 -7.085 -2.077 1.00 0.00 N ATOM 594 CA PRO A 423 -5.181 -8.389 -2.746 1.00 0.00 C ATOM 595 C PRO A 423 -4.850 -9.539 -1.797 1.00 0.00 C ATOM 596 O PRO A 423 -3.983 -9.414 -0.929 1.00 0.00 O ATOM 597 CB PRO A 423 -4.046 -8.156 -3.735 1.00 0.00 C ATOM 598 CG PRO A 423 -4.175 -6.716 -4.074 1.00 0.00 C ATOM 599 CD PRO A 423 -4.543 -6.042 -2.789 1.00 0.00 C ATOM 0 HA PRO A 423 -6.123 -8.695 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.075 -8.379 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.146 -8.787 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.241 -6.320 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.939 -6.557 -4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.661 -5.726 -2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.149 -5.152 -2.958 1.00 0.00 H new ATOM 607 N LYS A 424 -5.557 -10.655 -1.986 1.00 0.00 N ATOM 608 CA LYS A 424 -5.410 -11.854 -1.157 1.00 0.00 C ATOM 609 C LYS A 424 -5.894 -11.612 0.268 1.00 0.00 C ATOM 610 O LYS A 424 -5.417 -12.250 1.211 1.00 0.00 O ATOM 611 CB LYS A 424 -3.962 -12.365 -1.156 1.00 0.00 C ATOM 612 CG LYS A 424 -3.472 -12.882 -2.508 1.00 0.00 C ATOM 613 CD LYS A 424 -4.230 -14.126 -2.968 1.00 0.00 C ATOM 614 CE LYS A 424 -5.541 -13.778 -3.657 1.00 0.00 C ATOM 615 NZ LYS A 424 -6.294 -14.990 -4.075 1.00 0.00 N ATOM 0 H LYS A 424 -6.253 -10.753 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.039 -12.626 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -3.306 -11.558 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.873 -13.165 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -3.582 -12.096 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.409 -13.112 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.603 -14.699 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.432 -14.765 -2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -6.158 -13.184 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -5.337 -13.159 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -7.180 -14.705 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -5.717 -15.545 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -6.512 -15.569 -3.239 1.00 0.00 H new ATOM 629 N ALA A 425 -6.853 -10.694 0.405 1.00 0.00 N ATOM 630 CA ALA A 425 -7.483 -10.388 1.689 1.00 0.00 C ATOM 631 C ALA A 425 -6.458 -9.926 2.724 1.00 0.00 C ATOM 632 O ALA A 425 -6.543 -10.279 3.903 1.00 0.00 O ATOM 633 CB ALA A 425 -8.261 -11.593 2.203 1.00 0.00 C ATOM 0 H ALA A 425 -7.214 -10.142 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.180 -9.565 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.723 -11.347 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.035 -11.860 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.582 -12.435 2.334 1.00 0.00 H new ATOM 639 N GLN A 426 -5.493 -9.138 2.277 1.00 0.00 N ATOM 640 CA GLN A 426 -4.463 -8.614 3.155 1.00 0.00 C ATOM 641 C GLN A 426 -4.819 -7.203 3.610 1.00 0.00 C ATOM 642 O GLN A 426 -5.748 -6.589 3.084 1.00 0.00 O ATOM 643 CB GLN A 426 -3.118 -8.623 2.434 1.00 0.00 C ATOM 644 CG GLN A 426 -2.577 -10.023 2.200 1.00 0.00 C ATOM 645 CD GLN A 426 -1.255 -10.033 1.457 1.00 0.00 C ATOM 646 OE1 GLN A 426 -0.981 -9.169 0.624 1.00 0.00 O ATOM 647 NE2 GLN A 426 -0.421 -11.011 1.760 1.00 0.00 N ATOM 0 H GLN A 426 -5.403 -8.847 1.304 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.393 -9.248 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.223 -8.116 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.395 -8.054 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.451 -10.523 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.309 -10.599 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -0.684 -11.709 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.487 -11.069 1.298 1.00 0.00 H new ATOM 656 N THR A 427 -4.083 -6.692 4.588 1.00 0.00 N ATOM 657 CA THR A 427 -4.362 -5.375 5.137 1.00 0.00 C ATOM 658 C THR A 427 -3.105 -4.530 5.123 1.00 0.00 C ATOM 659 O THR A 427 -3.140 -3.324 5.354 1.00 0.00 O ATOM 660 CB THR A 427 -4.882 -5.473 6.584 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.092 -6.417 7.321 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.343 -5.895 6.614 1.00 0.00 C ATOM 0 H THR A 427 -3.290 -7.170 5.016 1.00 0.00 H new ATOM 0 HA THR A 427 -5.130 -4.913 4.517 1.00 0.00 H new ATOM 0 HB THR A 427 -4.800 -4.488 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.425 -6.475 8.241 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.683 -5.956 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.945 -5.162 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.450 -6.870 6.139 1.00 0.00 H new ATOM 670 N THR A 428 -1.999 -5.181 4.829 1.00 0.00 N ATOM 671 CA THR A 428 -0.701 -4.564 4.913 1.00 0.00 C ATOM 672 C THR A 428 0.071 -4.751 3.610 1.00 0.00 C ATOM 673 O THR A 428 -0.104 -5.752 2.914 1.00 0.00 O ATOM 674 CB THR A 428 0.095 -5.193 6.058 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.658 -6.265 6.650 1.00 0.00 O ATOM 676 CG2 THR A 428 0.461 -4.172 7.126 1.00 0.00 C ATOM 0 H THR A 428 -1.980 -6.154 4.525 1.00 0.00 H new ATOM 0 HA THR A 428 -0.839 -3.498 5.094 1.00 0.00 H new ATOM 0 HB THR A 428 1.022 -5.581 5.637 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.141 -6.663 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 428 1.025 -4.662 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 428 1.069 -3.383 6.682 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.449 -3.739 7.542 1.00 0.00 H new ATOM 684 N VAL A 429 0.912 -3.783 3.287 1.00 0.00 N ATOM 685 CA VAL A 429 1.757 -3.849 2.104 1.00 0.00 C ATOM 686 C VAL A 429 3.174 -3.480 2.487 1.00 0.00 C ATOM 687 O VAL A 429 3.385 -2.701 3.414 1.00 0.00 O ATOM 688 CB VAL A 429 1.252 -2.919 0.961 1.00 0.00 C ATOM 689 CG1 VAL A 429 -0.212 -2.573 1.143 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.066 -1.643 0.860 1.00 0.00 C ATOM 0 H VAL A 429 1.029 -2.931 3.835 1.00 0.00 H new ATOM 0 HA VAL A 429 1.721 -4.869 1.722 1.00 0.00 H new ATOM 0 HB VAL A 429 1.376 -3.476 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -0.536 -1.923 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -0.806 -3.487 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -0.349 -2.060 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.677 -1.027 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 429 1.999 -1.093 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 429 3.108 -1.891 0.659 1.00 0.00 H new ATOM 700 N THR A 430 4.147 -4.056 1.806 1.00 0.00 N ATOM 701 CA THR A 430 5.516 -3.740 2.111 1.00 0.00 C ATOM 702 C THR A 430 6.413 -3.803 0.896 1.00 0.00 C ATOM 703 O THR A 430 6.055 -4.341 -0.149 1.00 0.00 O ATOM 704 CB THR A 430 6.069 -4.627 3.251 1.00 0.00 C ATOM 705 OG1 THR A 430 7.499 -4.603 3.301 1.00 0.00 O ATOM 706 CG2 THR A 430 5.573 -6.063 3.140 1.00 0.00 C ATOM 0 H THR A 430 4.013 -4.731 1.054 1.00 0.00 H new ATOM 0 HA THR A 430 5.518 -2.706 2.456 1.00 0.00 H new ATOM 0 HB THR A 430 5.690 -4.204 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 430 7.800 -3.738 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.984 -6.654 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.484 -6.077 3.193 1.00 0.00 H new ATOM 0 HG23 THR A 430 5.896 -6.487 2.189 1.00 0.00 H new ATOM 714 N CYS A 431 7.571 -3.215 1.068 1.00 0.00 N ATOM 715 CA CYS A 431 8.572 -3.110 0.020 1.00 0.00 C ATOM 716 C CYS A 431 9.382 -4.404 -0.036 1.00 0.00 C ATOM 717 O CYS A 431 10.236 -4.646 0.823 1.00 0.00 O ATOM 718 CB CYS A 431 9.474 -1.904 0.313 1.00 0.00 C ATOM 719 SG CYS A 431 10.690 -1.511 -0.985 1.00 0.00 S ATOM 0 H CYS A 431 7.855 -2.788 1.950 1.00 0.00 H new ATOM 0 HA CYS A 431 8.097 -2.962 -0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.843 -1.030 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.008 -2.088 1.245 1.00 0.00 H new ATOM 724 N MET A 432 9.086 -5.244 -1.028 1.00 0.00 N ATOM 725 CA MET A 432 9.696 -6.572 -1.114 1.00 0.00 C ATOM 726 C MET A 432 11.052 -6.529 -1.815 1.00 0.00 C ATOM 727 O MET A 432 12.000 -7.184 -1.381 1.00 0.00 O ATOM 728 CB MET A 432 8.766 -7.554 -1.844 1.00 0.00 C ATOM 729 CG MET A 432 8.538 -7.198 -3.302 1.00 0.00 C ATOM 730 SD MET A 432 7.644 -8.472 -4.220 1.00 0.00 S ATOM 731 CE MET A 432 8.805 -9.833 -4.138 1.00 0.00 C ATOM 0 H MET A 432 8.431 -5.030 -1.780 1.00 0.00 H new ATOM 0 HA MET A 432 9.852 -6.918 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.190 -8.557 -1.784 1.00 0.00 H new ATOM 0 HB3 MET A 432 7.805 -7.583 -1.330 1.00 0.00 H new ATOM 0 HG2 MET A 432 7.981 -6.263 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.502 -7.024 -3.781 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.604 -10.532 -4.950 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.821 -9.450 -4.232 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.697 -10.346 -3.182 1.00 0.00 H new ATOM 741 N GLU A 433 11.137 -5.744 -2.880 1.00 0.00 N ATOM 742 CA GLU A 433 12.343 -5.659 -3.692 1.00 0.00 C ATOM 743 C GLU A 433 12.178 -4.586 -4.755 1.00 0.00 C ATOM 744 O GLU A 433 12.842 -3.550 -4.725 1.00 0.00 O ATOM 745 CB GLU A 433 12.653 -7.003 -4.358 1.00 0.00 C ATOM 746 CG GLU A 433 13.833 -6.951 -5.313 1.00 0.00 C ATOM 747 CD GLU A 433 14.129 -8.293 -5.938 1.00 0.00 C ATOM 748 OE1 GLU A 433 13.524 -8.614 -6.981 1.00 0.00 O ATOM 749 OE2 GLU A 433 14.970 -9.036 -5.396 1.00 0.00 O ATOM 0 H GLU A 433 10.374 -5.150 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 433 13.175 -5.399 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.855 -7.744 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.771 -7.342 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.628 -6.225 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.715 -6.601 -4.777 1.00 0.00 H new ATOM 756 N ASN A 434 11.277 -4.841 -5.689 1.00 0.00 N ATOM 757 CA ASN A 434 11.000 -3.900 -6.758 1.00 0.00 C ATOM 758 C ASN A 434 9.661 -3.227 -6.526 1.00 0.00 C ATOM 759 O ASN A 434 8.845 -3.097 -7.436 1.00 0.00 O ATOM 760 CB ASN A 434 11.017 -4.600 -8.119 1.00 0.00 C ATOM 761 CG ASN A 434 12.419 -4.953 -8.570 1.00 0.00 C ATOM 762 OD1 ASN A 434 13.386 -4.285 -8.205 1.00 0.00 O ATOM 763 ND2 ASN A 434 12.544 -5.996 -9.374 1.00 0.00 N ATOM 0 H ASN A 434 10.723 -5.697 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 434 11.781 -3.140 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.416 -5.508 -8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.551 -3.954 -8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 434 13.466 -6.271 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.719 -6.525 -9.655 1.00 0.00 H new ATOM 770 N GLY A 435 9.439 -2.814 -5.292 1.00 0.00 N ATOM 771 CA GLY A 435 8.213 -2.136 -4.952 1.00 0.00 C ATOM 772 C GLY A 435 7.398 -2.891 -3.925 1.00 0.00 C ATOM 773 O GLY A 435 7.815 -3.945 -3.434 1.00 0.00 O ATOM 0 H GLY A 435 10.090 -2.937 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 435 8.446 -1.143 -4.568 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.616 -1.997 -5.854 1.00 0.00 H new ATOM 777 N TRP A 436 6.246 -2.334 -3.596 1.00 0.00 N ATOM 778 CA TRP A 436 5.305 -2.950 -2.674 1.00 0.00 C ATOM 779 C TRP A 436 4.831 -4.291 -3.224 1.00 0.00 C ATOM 780 O TRP A 436 4.289 -4.364 -4.328 1.00 0.00 O ATOM 781 CB TRP A 436 4.110 -2.020 -2.483 1.00 0.00 C ATOM 782 CG TRP A 436 4.502 -0.615 -2.151 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.490 0.463 -2.989 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.969 -0.140 -0.892 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.909 1.582 -2.318 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.212 1.237 -1.026 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.199 -0.750 0.335 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.677 2.014 0.030 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.663 0.017 1.385 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.895 1.387 1.226 1.00 0.00 C ATOM 0 H TRP A 436 5.934 -1.435 -3.963 1.00 0.00 H new ATOM 0 HA TRP A 436 5.797 -3.119 -1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.511 -2.017 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.477 -2.411 -1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.194 0.438 -4.027 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.983 2.519 -2.715 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.018 -1.807 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.859 3.072 -0.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.849 -0.447 2.342 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.254 1.963 2.066 1.00 0.00 H new ATOM 801 N SER A 437 5.038 -5.340 -2.441 1.00 0.00 N ATOM 802 CA SER A 437 4.719 -6.699 -2.864 1.00 0.00 C ATOM 803 C SER A 437 3.209 -6.917 -3.062 1.00 0.00 C ATOM 804 O SER A 437 2.803 -7.390 -4.120 1.00 0.00 O ATOM 805 CB SER A 437 5.325 -7.713 -1.885 1.00 0.00 C ATOM 806 OG SER A 437 5.331 -7.214 -0.557 1.00 0.00 O ATOM 0 H SER A 437 5.429 -5.276 -1.501 1.00 0.00 H new ATOM 0 HA SER A 437 5.170 -6.857 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 437 4.756 -8.642 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.344 -7.951 -2.190 1.00 0.00 H new ATOM 0 HG SER A 437 4.941 -7.882 0.045 1.00 0.00 H new ATOM 812 N PRO A 438 2.341 -6.582 -2.079 1.00 0.00 N ATOM 813 CA PRO A 438 0.892 -6.684 -2.258 1.00 0.00 C ATOM 814 C PRO A 438 0.372 -5.576 -3.161 1.00 0.00 C ATOM 815 O PRO A 438 -0.676 -5.711 -3.792 1.00 0.00 O ATOM 816 CB PRO A 438 0.336 -6.518 -0.833 1.00 0.00 C ATOM 817 CG PRO A 438 1.514 -6.663 0.063 1.00 0.00 C ATOM 818 CD PRO A 438 2.660 -6.118 -0.724 1.00 0.00 C ATOM 0 HA PRO A 438 0.595 -7.621 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.138 -5.545 -0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.420 -7.272 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.374 -6.111 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.680 -7.706 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.715 -5.031 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.617 -6.505 -0.374 1.00 0.00 H new ATOM 826 N THR A 439 1.145 -4.492 -3.228 1.00 0.00 N ATOM 827 CA THR A 439 0.795 -3.314 -4.009 1.00 0.00 C ATOM 828 C THR A 439 -0.437 -2.605 -3.429 1.00 0.00 C ATOM 829 O THR A 439 -1.542 -3.145 -3.438 1.00 0.00 O ATOM 830 CB THR A 439 0.550 -3.664 -5.494 1.00 0.00 C ATOM 831 OG1 THR A 439 1.657 -4.419 -6.007 1.00 0.00 O ATOM 832 CG2 THR A 439 0.372 -2.402 -6.323 1.00 0.00 C ATOM 0 H THR A 439 2.036 -4.410 -2.738 1.00 0.00 H new ATOM 0 HA THR A 439 1.647 -2.636 -3.954 1.00 0.00 H new ATOM 0 HB THR A 439 -0.361 -4.258 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.418 -4.341 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.201 -2.672 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.483 -1.839 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.270 -1.789 -6.250 1.00 0.00 H new ATOM 840 N PRO A 440 -0.247 -1.385 -2.894 1.00 0.00 N ATOM 841 CA PRO A 440 -1.343 -0.580 -2.355 1.00 0.00 C ATOM 842 C PRO A 440 -2.382 -0.247 -3.420 1.00 0.00 C ATOM 843 O PRO A 440 -2.194 0.667 -4.224 1.00 0.00 O ATOM 844 CB PRO A 440 -0.671 0.704 -1.859 1.00 0.00 C ATOM 845 CG PRO A 440 0.794 0.430 -1.834 1.00 0.00 C ATOM 846 CD PRO A 440 1.049 -0.709 -2.781 1.00 0.00 C ATOM 0 HA PRO A 440 -1.878 -1.115 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.898 1.541 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -1.033 0.973 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.356 1.314 -2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.120 0.173 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.396 -0.350 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.816 -1.381 -2.397 1.00 0.00 H new ATOM 854 N ARG A 441 -3.467 -1.006 -3.428 1.00 0.00 N ATOM 855 CA ARG A 441 -4.557 -0.789 -4.367 1.00 0.00 C ATOM 856 C ARG A 441 -5.863 -1.291 -3.767 1.00 0.00 C ATOM 857 O ARG A 441 -6.010 -2.480 -3.481 1.00 0.00 O ATOM 858 CB ARG A 441 -4.265 -1.487 -5.704 1.00 0.00 C ATOM 859 CG ARG A 441 -3.904 -2.960 -5.563 1.00 0.00 C ATOM 860 CD ARG A 441 -3.466 -3.567 -6.884 1.00 0.00 C ATOM 861 NE ARG A 441 -2.933 -4.919 -6.702 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.888 -5.407 -7.370 1.00 0.00 C ATOM 863 NH1 ARG A 441 -1.336 -4.709 -8.353 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.415 -6.610 -7.070 1.00 0.00 N ATOM 0 H ARG A 441 -3.617 -1.786 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.650 0.280 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.139 -1.397 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.446 -0.968 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.104 -3.069 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.764 -3.509 -5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.312 -3.598 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.707 -2.934 -7.343 1.00 0.00 H new ATOM 0 HE ARG A 441 -3.390 -5.525 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -1.711 -3.794 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -0.536 -5.088 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.851 -7.159 -6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -0.615 -6.985 -7.580 1.00 0.00 H new ATOM 878 N CYS A 442 -6.799 -0.380 -3.558 1.00 0.00 N ATOM 879 CA CYS A 442 -8.076 -0.730 -2.960 1.00 0.00 C ATOM 880 C CYS A 442 -8.991 -1.367 -3.996 1.00 0.00 C ATOM 881 O CYS A 442 -9.730 -0.676 -4.699 1.00 0.00 O ATOM 882 CB CYS A 442 -8.745 0.508 -2.357 1.00 0.00 C ATOM 883 SG CYS A 442 -7.751 1.349 -1.079 1.00 0.00 S ATOM 0 H CYS A 442 -6.698 0.607 -3.794 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.894 -1.450 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.961 1.216 -3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.701 0.215 -1.923 1.00 0.00 H new ATOM 888 N ILE A 443 -8.919 -2.684 -4.107 1.00 0.00 N ATOM 889 CA ILE A 443 -9.777 -3.416 -5.011 1.00 0.00 C ATOM 890 C ILE A 443 -11.076 -3.793 -4.310 1.00 0.00 C ATOM 891 O ILE A 443 -11.084 -4.080 -3.110 1.00 0.00 O ATOM 892 CB ILE A 443 -9.079 -4.679 -5.557 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.425 -5.484 -4.430 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.051 -4.297 -6.612 1.00 0.00 C ATOM 895 CD1 ILE A 443 -7.837 -6.802 -4.886 1.00 0.00 C ATOM 0 H ILE A 443 -8.270 -3.266 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.001 -2.768 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.836 -5.313 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.637 -4.883 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.167 -5.676 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.565 -5.197 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.547 -3.781 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.303 -3.639 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.392 -7.316 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.624 -7.423 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.071 -6.618 -5.639 1.00 0.00 H new ATOM 907 N ARG A 444 -12.171 -3.765 -5.052 1.00 0.00 N ATOM 908 CA ARG A 444 -13.473 -4.009 -4.501 1.00 0.00 C ATOM 909 C ARG A 444 -13.691 -5.486 -4.255 1.00 0.00 C ATOM 910 O ARG A 444 -13.631 -6.309 -5.168 1.00 0.00 O ATOM 911 CB ARG A 444 -14.531 -3.450 -5.444 1.00 0.00 C ATOM 912 CG ARG A 444 -15.928 -3.705 -4.959 1.00 0.00 C ATOM 913 CD ARG A 444 -16.966 -3.035 -5.840 1.00 0.00 C ATOM 914 NE ARG A 444 -16.839 -1.578 -5.830 1.00 0.00 N ATOM 915 CZ ARG A 444 -17.551 -0.767 -6.609 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.435 -1.270 -7.462 1.00 0.00 N ATOM 917 NH2 ARG A 444 -17.380 0.547 -6.533 1.00 0.00 N ATOM 0 H ARG A 444 -12.171 -3.571 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.552 -3.506 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.380 -2.377 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.406 -3.896 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.113 -4.779 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.029 -3.340 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.864 -3.400 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.963 -3.314 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.166 -1.159 -5.189 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.569 -2.279 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.980 -0.647 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -16.702 0.936 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.926 1.168 -7.130 1.00 0.00 H new ATOM 931 N VAL A 445 -13.972 -5.797 -3.008 1.00 0.00 N ATOM 932 CA VAL A 445 -14.110 -7.163 -2.562 1.00 0.00 C ATOM 933 C VAL A 445 -15.581 -7.603 -2.629 1.00 0.00 C ATOM 934 O VAL A 445 -16.120 -8.217 -1.708 1.00 0.00 O ATOM 935 CB VAL A 445 -13.544 -7.281 -1.135 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.393 -6.487 -0.160 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.398 -8.733 -0.702 1.00 0.00 C ATOM 0 H VAL A 445 -14.112 -5.104 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.547 -7.828 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.541 -6.854 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.979 -6.581 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.398 -5.437 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.413 -6.871 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.996 -8.772 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.373 -9.219 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.720 -9.249 -1.382 1.00 0.00 H new ATOM 947 N LYS A 446 -16.204 -7.265 -3.750 1.00 0.00 N ATOM 948 CA LYS A 446 -17.617 -7.547 -4.005 1.00 0.00 C ATOM 949 C LYS A 446 -18.022 -8.946 -3.538 1.00 0.00 C ATOM 950 O LYS A 446 -17.587 -9.947 -4.152 1.00 0.00 O ATOM 951 CB LYS A 446 -17.940 -7.364 -5.495 1.00 0.00 C ATOM 952 CG LYS A 446 -16.994 -8.101 -6.433 1.00 0.00 C ATOM 953 CD LYS A 446 -17.437 -7.990 -7.885 1.00 0.00 C ATOM 954 CE LYS A 446 -18.777 -8.676 -8.119 1.00 0.00 C ATOM 955 NZ LYS A 446 -19.190 -8.621 -9.548 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.794 -9.036 -2.560 1.00 0.00 O ATOM 0 H LYS A 446 -15.740 -6.782 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.199 -6.832 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.958 -7.708 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.915 -6.301 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -15.988 -7.694 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -16.945 -9.152 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -17.513 -6.939 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -16.682 -8.437 -8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -18.712 -9.716 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -19.540 -8.201 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -20.106 -9.099 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.277 -7.628 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -18.475 -9.097 -10.135 1.00 0.00 H new TER 970 LYS A 446