USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 462 SER OG : rot 27:sc= 0.314 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot 84:sc= 1.24 USER MOD Single : A 471 SER OG : rot 68:sc= 0.95 USER MOD Single : A 478 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.1) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 72:sc= 0.598 USER MOD Single : A 489 LYS NZ :NH3+ -159:sc= -0.168 (180deg=-0.695) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 496 LYS NZ :NH3+ -164:sc= -0.0652 (180deg=-0.374) USER MOD Single : A 498 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 499 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.46) USER MOD Single : A 500 MET CE :methyl 166:sc= -0.0291 (180deg=-0.336) USER MOD Single : A 503 LYS NZ :NH3+ -146:sc= -0.832 (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.225 1.425 7.994 1.00 1.77 N ATOM 2 CA SER A 462 -5.636 0.403 8.851 1.00 1.60 C ATOM 3 C SER A 462 -4.367 -0.249 8.291 1.00 1.25 C ATOM 4 O SER A 462 -3.282 0.348 8.316 1.00 1.09 O ATOM 5 CB SER A 462 -6.703 -0.649 9.164 1.00 1.97 C ATOM 6 OG SER A 462 -7.924 -0.029 9.549 1.00 2.70 O ATOM 0 HA SER A 462 -5.304 0.903 9.761 1.00 1.60 H new ATOM 0 HB2 SER A 462 -6.869 -1.277 8.289 1.00 1.97 H new ATOM 0 HB3 SER A 462 -6.353 -1.302 9.964 1.00 1.97 H new ATOM 0 HG SER A 462 -7.978 0.864 9.148 1.00 2.70 H new ATOM 14 N VAL A 463 -4.524 -1.436 7.728 1.00 1.25 N ATOM 15 CA VAL A 463 -3.391 -2.306 7.439 1.00 1.07 C ATOM 16 C VAL A 463 -2.492 -1.733 6.355 1.00 0.89 C ATOM 17 O VAL A 463 -1.366 -1.320 6.625 1.00 0.76 O ATOM 18 CB VAL A 463 -3.857 -3.716 7.015 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.666 -4.645 6.819 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.827 -4.292 8.036 1.00 1.50 C ATOM 0 H VAL A 463 -5.429 -1.822 7.460 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.819 -2.377 8.364 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.378 -3.628 6.062 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -3.020 -5.632 6.521 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.015 -4.243 6.043 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -2.110 -4.726 7.753 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -5.143 -5.286 7.718 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -4.335 -4.361 9.006 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.699 -3.643 8.116 1.00 1.50 H new ATOM 30 N ILE A 464 -3.006 -1.692 5.136 1.00 1.02 N ATOM 31 CA ILE A 464 -2.201 -1.341 3.980 1.00 1.02 C ATOM 32 C ILE A 464 -1.594 0.060 4.104 1.00 0.88 C ATOM 33 O ILE A 464 -0.417 0.249 3.797 1.00 0.84 O ATOM 34 CB ILE A 464 -3.011 -1.467 2.666 1.00 1.35 C ATOM 35 CG1 ILE A 464 -2.179 -1.000 1.467 1.00 1.81 C ATOM 36 CG2 ILE A 464 -4.313 -0.689 2.763 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.850 -1.228 0.130 1.00 2.72 C ATOM 0 H ILE A 464 -3.982 -1.899 4.923 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.378 -2.055 3.945 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.256 -2.518 2.514 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.964 0.063 1.578 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -1.222 -1.522 1.476 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.868 -0.790 1.830 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.911 -1.082 3.585 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -4.095 0.364 2.943 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -2.200 -0.872 -0.669 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -3.040 -2.293 -0.005 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.794 -0.684 0.099 1.00 2.72 H new ATOM 49 N ARG A 465 -2.364 1.031 4.595 1.00 0.94 N ATOM 50 CA ARG A 465 -1.873 2.403 4.646 1.00 0.95 C ATOM 51 C ARG A 465 -0.865 2.571 5.778 1.00 0.83 C ATOM 52 O ARG A 465 0.064 3.372 5.672 1.00 0.90 O ATOM 53 CB ARG A 465 -3.018 3.408 4.792 1.00 1.18 C ATOM 54 CG ARG A 465 -2.662 4.802 4.293 1.00 1.57 C ATOM 55 CD ARG A 465 -3.808 5.783 4.481 1.00 1.81 C ATOM 56 NE ARG A 465 -3.947 6.212 5.870 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.736 7.211 6.261 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.482 7.864 5.378 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.779 7.562 7.541 1.00 3.37 N ATOM 0 H ARG A 465 -3.309 0.896 4.955 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.373 2.608 3.699 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.885 3.043 4.242 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.308 3.468 5.841 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.783 5.165 4.826 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.396 4.752 3.237 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.644 6.655 3.848 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.738 5.320 4.151 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.409 5.718 6.582 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.453 7.602 4.393 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.084 8.628 5.685 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -4.208 7.066 8.225 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -5.383 8.327 7.840 1.00 3.37 H new ATOM 73 N SER A 466 -1.032 1.816 6.860 1.00 0.80 N ATOM 74 CA SER A 466 -0.038 1.816 7.924 1.00 0.87 C ATOM 75 C SER A 466 1.263 1.184 7.425 1.00 0.85 C ATOM 76 O SER A 466 2.359 1.737 7.605 1.00 1.03 O ATOM 77 CB SER A 466 -0.567 1.051 9.141 1.00 0.96 C ATOM 78 OG SER A 466 0.360 1.065 10.213 1.00 1.63 O ATOM 0 H SER A 466 -1.834 1.206 7.021 1.00 0.80 H new ATOM 0 HA SER A 466 0.163 2.846 8.220 1.00 0.87 H new ATOM 0 HB2 SER A 466 -1.508 1.493 9.468 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.781 0.020 8.858 1.00 0.96 H new ATOM 0 HG SER A 466 -0.011 0.569 10.973 1.00 1.63 H new ATOM 84 N ILE A 467 1.127 0.041 6.761 1.00 0.78 N ATOM 85 CA ILE A 467 2.276 -0.739 6.321 1.00 0.91 C ATOM 86 C ILE A 467 3.128 0.010 5.300 1.00 0.96 C ATOM 87 O ILE A 467 4.349 0.089 5.455 1.00 1.18 O ATOM 88 CB ILE A 467 1.845 -2.105 5.738 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.185 -2.961 6.827 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.033 -2.839 5.127 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.047 -3.163 8.055 1.00 1.59 C ATOM 0 H ILE A 467 0.225 -0.367 6.515 1.00 0.78 H new ATOM 0 HA ILE A 467 2.884 -0.910 7.209 1.00 0.91 H new ATOM 0 HB ILE A 467 1.119 -1.925 4.945 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.248 -2.492 7.126 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.934 -3.935 6.407 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.701 -3.796 4.725 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.460 -2.237 4.325 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.789 -3.010 5.894 1.00 1.24 H new ATOM 0 HD11 ILE A 467 1.511 -3.778 8.778 1.00 1.59 H new ATOM 0 HD12 ILE A 467 2.974 -3.661 7.771 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.277 -2.195 8.501 1.00 1.59 H new ATOM 103 N ILE A 468 2.507 0.573 4.265 1.00 0.87 N ATOM 104 CA ILE A 468 3.292 1.222 3.224 1.00 0.99 C ATOM 105 C ILE A 468 4.009 2.463 3.748 1.00 1.08 C ATOM 106 O ILE A 468 5.172 2.671 3.430 1.00 1.27 O ATOM 107 CB ILE A 468 2.502 1.521 1.917 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.151 2.214 2.146 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.287 0.227 1.145 1.00 1.34 C ATOM 110 CD1 ILE A 468 1.228 3.665 2.563 1.00 1.65 C ATOM 0 H ILE A 468 1.496 0.593 4.128 1.00 0.87 H new ATOM 0 HA ILE A 468 4.047 0.489 2.938 1.00 0.99 H new ATOM 0 HB ILE A 468 3.111 2.222 1.346 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.568 2.148 1.227 1.00 0.80 H new ATOM 0 HG13 ILE A 468 0.604 1.662 2.911 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.734 0.437 0.230 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.253 -0.211 0.893 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.720 -0.473 1.759 1.00 1.34 H new ATOM 0 HD11 ILE A 468 0.221 4.059 2.698 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.778 3.745 3.501 1.00 1.65 H new ATOM 0 HD13 ILE A 468 1.741 4.239 1.791 1.00 1.65 H new ATOM 122 N LYS A 469 3.350 3.255 4.596 1.00 1.04 N ATOM 123 CA LYS A 469 4.004 4.423 5.185 1.00 1.27 C ATOM 124 C LYS A 469 5.193 3.971 6.027 1.00 1.47 C ATOM 125 O LYS A 469 6.229 4.631 6.068 1.00 1.68 O ATOM 126 CB LYS A 469 3.048 5.231 6.068 1.00 1.35 C ATOM 127 CG LYS A 469 1.926 5.926 5.314 1.00 1.75 C ATOM 128 CD LYS A 469 1.274 6.998 6.173 1.00 1.96 C ATOM 129 CE LYS A 469 0.728 6.428 7.476 1.00 2.66 C ATOM 130 NZ LYS A 469 0.380 7.501 8.445 1.00 2.97 N ATOM 0 H LYS A 469 2.382 3.113 4.886 1.00 1.04 H new ATOM 0 HA LYS A 469 4.333 5.063 4.366 1.00 1.27 H new ATOM 0 HB2 LYS A 469 2.610 4.565 6.812 1.00 1.35 H new ATOM 0 HB3 LYS A 469 3.622 5.981 6.611 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.320 6.375 4.402 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.178 5.193 5.011 1.00 1.75 H new ATOM 0 HD2 LYS A 469 2.002 7.778 6.395 1.00 1.96 H new ATOM 0 HD3 LYS A 469 0.464 7.468 5.615 1.00 1.96 H new ATOM 0 HE2 LYS A 469 -0.156 5.826 7.267 1.00 2.66 H new ATOM 0 HE3 LYS A 469 1.469 5.763 7.920 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.012 7.074 9.319 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.229 8.060 8.664 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 -0.345 8.121 8.031 1.00 2.97 H new ATOM 144 N SER A 470 5.021 2.838 6.708 1.00 1.46 N ATOM 145 CA SER A 470 6.104 2.239 7.475 1.00 1.71 C ATOM 146 C SER A 470 7.191 1.705 6.540 1.00 1.82 C ATOM 147 O SER A 470 8.360 1.598 6.918 1.00 2.10 O ATOM 148 CB SER A 470 5.566 1.115 8.365 1.00 1.74 C ATOM 149 OG SER A 470 4.540 1.590 9.228 1.00 2.10 O ATOM 0 H SER A 470 4.143 2.320 6.742 1.00 1.46 H new ATOM 0 HA SER A 470 6.544 3.007 8.111 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.177 0.309 7.743 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.379 0.696 8.958 1.00 1.74 H new ATOM 0 HG SER A 470 3.684 1.587 8.751 1.00 2.10 H new ATOM 155 N SER A 471 6.802 1.388 5.311 1.00 1.68 N ATOM 156 CA SER A 471 7.744 0.937 4.305 1.00 1.90 C ATOM 157 C SER A 471 8.385 2.145 3.627 1.00 1.57 C ATOM 158 O SER A 471 8.241 2.361 2.424 1.00 1.83 O ATOM 159 CB SER A 471 7.034 0.044 3.282 1.00 2.65 C ATOM 160 OG SER A 471 6.426 -1.068 3.919 1.00 3.40 O ATOM 0 H SER A 471 5.835 1.437 4.990 1.00 1.68 H new ATOM 0 HA SER A 471 8.529 0.348 4.779 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.278 0.622 2.751 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.750 -0.304 2.538 1.00 2.65 H new ATOM 0 HG SER A 471 5.686 -0.758 4.482 1.00 3.40 H new ATOM 166 N ARG A 472 9.110 2.917 4.430 1.00 1.77 N ATOM 167 CA ARG A 472 9.726 4.171 3.995 1.00 1.99 C ATOM 168 C ARG A 472 10.798 3.967 2.925 1.00 1.90 C ATOM 169 O ARG A 472 11.343 4.939 2.398 1.00 2.38 O ATOM 170 CB ARG A 472 10.319 4.907 5.200 1.00 2.75 C ATOM 171 CG ARG A 472 11.205 4.035 6.073 1.00 3.26 C ATOM 172 CD ARG A 472 11.750 4.814 7.254 1.00 3.92 C ATOM 173 NE ARG A 472 12.398 3.942 8.231 1.00 4.22 N ATOM 174 CZ ARG A 472 13.543 4.229 8.843 1.00 4.90 C ATOM 175 NH1 ARG A 472 14.225 5.318 8.512 1.00 5.31 N ATOM 176 NH2 ARG A 472 14.011 3.404 9.770 1.00 5.50 N ATOM 0 H ARG A 472 9.289 2.691 5.408 1.00 1.77 H new ATOM 0 HA ARG A 472 8.938 4.773 3.542 1.00 1.99 H new ATOM 0 HB2 ARG A 472 10.899 5.759 4.845 1.00 2.75 H new ATOM 0 HB3 ARG A 472 9.506 5.306 5.807 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.635 3.178 6.431 1.00 3.26 H new ATOM 0 HG3 ARG A 472 12.031 3.643 5.480 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.465 5.557 6.900 1.00 3.92 H new ATOM 0 HD3 ARG A 472 10.938 5.358 7.736 1.00 3.92 H new ATOM 0 HE ARG A 472 11.943 3.058 8.458 1.00 4.22 H new ATOM 0 HH11 ARG A 472 13.871 5.940 7.785 1.00 5.31 H new ATOM 0 HH12 ARG A 472 15.103 5.533 8.985 1.00 5.31 H new ATOM 0 HH21 ARG A 472 13.493 2.558 10.008 1.00 5.50 H new ATOM 0 HH22 ARG A 472 14.889 3.616 10.245 1.00 5.50 H new ATOM 190 N LEU A 473 11.117 2.715 2.612 1.00 1.57 N ATOM 191 CA LEU A 473 11.973 2.427 1.470 1.00 1.68 C ATOM 192 C LEU A 473 11.297 2.936 0.215 1.00 1.46 C ATOM 193 O LEU A 473 11.922 3.536 -0.662 1.00 2.00 O ATOM 194 CB LEU A 473 12.240 0.926 1.329 1.00 2.11 C ATOM 195 CG LEU A 473 11.006 0.042 1.086 1.00 1.80 C ATOM 196 CD1 LEU A 473 11.394 -1.155 0.240 1.00 2.32 C ATOM 197 CD2 LEU A 473 10.421 -0.435 2.405 1.00 2.17 C ATOM 0 H LEU A 473 10.799 1.894 3.127 1.00 1.57 H new ATOM 0 HA LEU A 473 12.931 2.924 1.622 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.937 0.777 0.504 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.738 0.579 2.234 1.00 2.11 H new ATOM 0 HG LEU A 473 10.253 0.632 0.563 1.00 1.80 H new ATOM 0 HD11 LEU A 473 10.517 -1.780 0.070 1.00 2.32 H new ATOM 0 HD12 LEU A 473 11.787 -0.812 -0.717 1.00 2.32 H new ATOM 0 HD13 LEU A 473 12.157 -1.735 0.759 1.00 2.32 H new ATOM 0 HD21 LEU A 473 9.549 -1.059 2.212 1.00 2.17 H new ATOM 0 HD22 LEU A 473 11.169 -1.014 2.946 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.125 0.426 3.004 1.00 2.17 H new ATOM 209 N GLU A 474 10.002 2.709 0.161 1.00 1.28 N ATOM 210 CA GLU A 474 9.183 3.176 -0.923 1.00 1.36 C ATOM 211 C GLU A 474 8.512 4.466 -0.519 1.00 1.06 C ATOM 212 O GLU A 474 7.317 4.487 -0.303 1.00 1.14 O ATOM 213 CB GLU A 474 8.117 2.136 -1.273 1.00 1.92 C ATOM 214 CG GLU A 474 8.685 0.825 -1.775 1.00 2.48 C ATOM 215 CD GLU A 474 9.557 1.015 -2.994 1.00 3.00 C ATOM 216 OE1 GLU A 474 9.053 1.528 -4.015 1.00 3.36 O ATOM 217 OE2 GLU A 474 10.746 0.658 -2.942 1.00 3.47 O ATOM 0 H GLU A 474 9.490 2.191 0.875 1.00 1.28 H new ATOM 0 HA GLU A 474 9.813 3.341 -1.797 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.507 1.943 -0.390 1.00 1.92 H new ATOM 0 HB3 GLU A 474 7.455 2.550 -2.034 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.267 0.355 -0.982 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.868 0.145 -2.016 1.00 2.48 H new ATOM 224 N GLU A 475 9.285 5.533 -0.386 1.00 0.94 N ATOM 225 CA GLU A 475 8.724 6.831 -0.033 1.00 0.84 C ATOM 226 C GLU A 475 7.602 7.194 -1.003 1.00 0.73 C ATOM 227 O GLU A 475 6.428 7.326 -0.610 1.00 0.73 O ATOM 228 CB GLU A 475 9.822 7.899 -0.059 1.00 1.20 C ATOM 229 CG GLU A 475 9.329 9.301 0.268 1.00 1.66 C ATOM 230 CD GLU A 475 8.649 9.377 1.616 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.356 9.312 2.646 1.00 2.49 O ATOM 232 OE2 GLU A 475 7.408 9.506 1.655 1.00 2.79 O ATOM 0 H GLU A 475 10.297 5.528 -0.516 1.00 0.94 H new ATOM 0 HA GLU A 475 8.311 6.781 0.974 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.600 7.623 0.653 1.00 1.20 H new ATOM 0 HB3 GLU A 475 10.283 7.908 -1.047 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.172 9.992 0.251 1.00 1.66 H new ATOM 0 HG3 GLU A 475 8.633 9.627 -0.505 1.00 1.66 H new ATOM 239 N ASP A 476 7.969 7.300 -2.276 1.00 0.88 N ATOM 240 CA ASP A 476 7.031 7.664 -3.324 1.00 0.98 C ATOM 241 C ASP A 476 5.856 6.707 -3.363 1.00 0.85 C ATOM 242 O ASP A 476 4.714 7.130 -3.246 1.00 0.84 O ATOM 243 CB ASP A 476 7.713 7.684 -4.694 1.00 1.36 C ATOM 244 CG ASP A 476 8.780 8.751 -4.794 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.428 9.935 -4.968 1.00 2.63 O ATOM 246 OD2 ASP A 476 9.977 8.409 -4.717 1.00 2.43 O ATOM 0 H ASP A 476 8.920 7.136 -2.606 1.00 0.88 H new ATOM 0 HA ASP A 476 6.667 8.665 -3.094 1.00 0.98 H new ATOM 0 HB2 ASP A 476 8.160 6.709 -4.888 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.963 7.851 -5.467 1.00 1.36 H new ATOM 251 N ARG A 477 6.131 5.416 -3.504 1.00 0.89 N ATOM 252 CA ARG A 477 5.065 4.435 -3.660 1.00 0.96 C ATOM 253 C ARG A 477 4.168 4.352 -2.431 1.00 0.80 C ATOM 254 O ARG A 477 2.969 4.149 -2.567 1.00 0.85 O ATOM 255 CB ARG A 477 5.630 3.063 -4.016 1.00 1.23 C ATOM 256 CG ARG A 477 5.458 2.726 -5.488 1.00 1.57 C ATOM 257 CD ARG A 477 6.788 2.467 -6.180 1.00 1.89 C ATOM 258 NE ARG A 477 7.719 3.586 -6.045 1.00 1.95 N ATOM 259 CZ ARG A 477 8.304 4.202 -7.072 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.962 3.895 -8.316 1.00 2.96 N ATOM 261 NH2 ARG A 477 9.213 5.141 -6.851 1.00 2.98 N ATOM 0 H ARG A 477 7.074 5.027 -3.514 1.00 0.89 H new ATOM 0 HA ARG A 477 4.441 4.776 -4.487 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.689 3.033 -3.761 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.135 2.302 -3.412 1.00 1.23 H new ATOM 0 HG2 ARG A 477 4.823 1.846 -5.585 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.944 3.547 -5.989 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.242 1.569 -5.762 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.611 2.272 -7.238 1.00 1.89 H new ATOM 0 HE ARG A 477 7.935 3.917 -5.104 1.00 1.95 H new ATOM 0 HH11 ARG A 477 7.250 3.186 -8.489 1.00 2.96 H new ATOM 0 HH12 ARG A 477 8.411 4.368 -9.100 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.465 5.392 -5.895 1.00 2.98 H new ATOM 0 HH22 ARG A 477 9.661 5.612 -7.637 1.00 2.98 H new ATOM 275 N LYS A 478 4.738 4.500 -1.242 1.00 0.77 N ATOM 276 CA LYS A 478 3.949 4.535 -0.019 1.00 0.90 C ATOM 277 C LYS A 478 2.902 5.649 -0.064 1.00 0.74 C ATOM 278 O LYS A 478 1.709 5.382 0.050 1.00 0.80 O ATOM 279 CB LYS A 478 4.876 4.649 1.213 1.00 1.21 C ATOM 280 CG LYS A 478 4.845 5.973 1.975 1.00 1.27 C ATOM 281 CD LYS A 478 6.026 6.091 2.932 1.00 1.66 C ATOM 282 CE LYS A 478 5.842 7.223 3.938 1.00 1.97 C ATOM 283 NZ LYS A 478 5.583 8.535 3.289 1.00 2.30 N ATOM 0 H LYS A 478 5.743 4.598 -1.099 1.00 0.77 H new ATOM 0 HA LYS A 478 3.399 3.598 0.068 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.618 3.850 1.908 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.900 4.468 0.886 1.00 1.21 H new ATOM 0 HG2 LYS A 478 4.863 6.802 1.268 1.00 1.27 H new ATOM 0 HG3 LYS A 478 3.912 6.051 2.534 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.154 5.150 3.466 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.939 6.260 2.361 1.00 1.66 H new ATOM 0 HE2 LYS A 478 5.012 6.981 4.602 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.735 7.300 4.559 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 5.847 9.302 3.939 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.147 8.609 2.419 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 4.573 8.613 3.054 1.00 2.30 H new ATOM 297 N ARG A 479 3.332 6.886 -0.262 1.00 0.71 N ATOM 298 CA ARG A 479 2.405 8.005 -0.307 1.00 0.86 C ATOM 299 C ARG A 479 1.557 7.990 -1.581 1.00 0.80 C ATOM 300 O ARG A 479 0.419 8.458 -1.585 1.00 0.90 O ATOM 301 CB ARG A 479 3.194 9.295 -0.177 1.00 1.09 C ATOM 302 CG ARG A 479 4.375 9.352 -1.111 1.00 1.22 C ATOM 303 CD ARG A 479 5.022 10.722 -1.128 1.00 1.88 C ATOM 304 NE ARG A 479 6.098 10.803 -2.114 1.00 2.47 N ATOM 305 CZ ARG A 479 6.797 11.909 -2.353 1.00 3.27 C ATOM 306 NH1 ARG A 479 6.500 13.028 -1.706 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.767 11.904 -3.255 1.00 4.14 N ATOM 0 H ARG A 479 4.311 7.139 -0.393 1.00 0.71 H new ATOM 0 HA ARG A 479 1.704 7.923 0.524 1.00 0.86 H new ATOM 0 HB2 ARG A 479 2.536 10.140 -0.378 1.00 1.09 H new ATOM 0 HB3 ARG A 479 3.543 9.400 0.850 1.00 1.09 H new ATOM 0 HG2 ARG A 479 5.112 8.607 -0.809 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.052 9.091 -2.119 1.00 1.22 H new ATOM 0 HD2 ARG A 479 4.268 11.477 -1.350 1.00 1.88 H new ATOM 0 HD3 ARG A 479 5.418 10.949 -0.138 1.00 1.88 H new ATOM 0 HE ARG A 479 6.325 9.965 -2.649 1.00 2.47 H new ATOM 0 HH11 ARG A 479 5.738 13.038 -1.028 1.00 3.65 H new ATOM 0 HH12 ARG A 479 7.034 13.878 -1.886 1.00 3.65 H new ATOM 0 HH21 ARG A 479 7.980 11.050 -3.770 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.300 12.755 -3.435 1.00 4.14 H new ATOM 321 N TYR A 480 2.116 7.445 -2.652 1.00 0.83 N ATOM 322 CA TYR A 480 1.397 7.281 -3.912 1.00 1.03 C ATOM 323 C TYR A 480 0.218 6.335 -3.713 1.00 0.82 C ATOM 324 O TYR A 480 -0.942 6.674 -3.987 1.00 0.82 O ATOM 325 CB TYR A 480 2.353 6.723 -4.972 1.00 1.44 C ATOM 326 CG TYR A 480 1.745 6.511 -6.340 1.00 1.81 C ATOM 327 CD1 TYR A 480 1.517 7.581 -7.192 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.424 5.236 -6.787 1.00 2.00 C ATOM 329 CE1 TYR A 480 0.986 7.387 -8.453 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.889 5.034 -8.044 1.00 2.36 C ATOM 331 CZ TYR A 480 0.673 6.112 -8.874 1.00 2.55 C ATOM 332 OH TYR A 480 0.149 5.915 -10.131 1.00 2.93 O ATOM 0 H TYR A 480 3.077 7.104 -2.675 1.00 0.83 H new ATOM 0 HA TYR A 480 1.017 8.247 -4.246 1.00 1.03 H new ATOM 0 HB2 TYR A 480 3.199 7.404 -5.070 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.749 5.772 -4.617 1.00 1.44 H new ATOM 0 HD1 TYR A 480 1.758 8.582 -6.865 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.596 4.388 -6.141 1.00 2.00 H new ATOM 0 HE1 TYR A 480 0.817 8.231 -9.106 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.641 4.036 -8.375 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.014 4.959 -10.271 1.00 2.93 H new ATOM 342 N LEU A 481 0.530 5.155 -3.195 1.00 0.91 N ATOM 343 CA LEU A 481 -0.471 4.138 -2.947 1.00 1.15 C ATOM 344 C LEU A 481 -1.432 4.612 -1.871 1.00 1.03 C ATOM 345 O LEU A 481 -2.566 4.201 -1.846 1.00 1.19 O ATOM 346 CB LEU A 481 0.185 2.823 -2.516 1.00 1.66 C ATOM 347 CG LEU A 481 -0.350 1.558 -3.200 1.00 2.09 C ATOM 348 CD1 LEU A 481 0.401 0.337 -2.704 1.00 2.68 C ATOM 349 CD2 LEU A 481 -1.844 1.392 -2.962 1.00 2.73 C ATOM 0 H LEU A 481 1.478 4.881 -2.938 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.021 3.962 -3.872 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.256 2.892 -2.708 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.060 2.712 -1.439 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.191 1.661 -4.273 1.00 2.09 H new ATOM 0 HD11 LEU A 481 0.012 -0.554 -3.197 1.00 2.68 H new ATOM 0 HD12 LEU A 481 1.461 0.444 -2.932 1.00 2.68 H new ATOM 0 HD13 LEU A 481 0.270 0.242 -1.626 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -2.193 0.487 -3.459 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -2.036 1.315 -1.892 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -2.375 2.255 -3.365 1.00 2.73 H new ATOM 361 N MET A 482 -0.965 5.476 -0.985 1.00 1.05 N ATOM 362 CA MET A 482 -1.819 6.058 0.050 1.00 1.49 C ATOM 363 C MET A 482 -2.885 6.947 -0.565 1.00 1.39 C ATOM 364 O MET A 482 -4.066 6.819 -0.239 1.00 1.65 O ATOM 365 CB MET A 482 -0.961 6.846 1.042 1.00 2.05 C ATOM 366 CG MET A 482 -1.751 7.615 2.083 1.00 3.10 C ATOM 367 SD MET A 482 -0.674 8.500 3.229 1.00 4.00 S ATOM 368 CE MET A 482 -1.882 9.423 4.173 1.00 4.93 C ATOM 0 H MET A 482 0.004 5.794 -0.958 1.00 1.05 H new ATOM 0 HA MET A 482 -2.326 5.253 0.582 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.289 6.155 1.551 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.337 7.546 0.487 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.412 8.324 1.585 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.385 6.925 2.640 1.00 3.10 H new ATOM 0 HE1 MET A 482 -1.373 10.024 4.927 1.00 4.93 H new ATOM 0 HE2 MET A 482 -2.443 10.077 3.505 1.00 4.93 H new ATOM 0 HE3 MET A 482 -2.567 8.731 4.663 1.00 4.93 H new ATOM 378 N THR A 483 -2.473 7.828 -1.464 1.00 1.25 N ATOM 379 CA THR A 483 -3.410 8.694 -2.158 1.00 1.59 C ATOM 380 C THR A 483 -4.422 7.863 -2.940 1.00 1.32 C ATOM 381 O THR A 483 -5.607 8.198 -2.996 1.00 1.59 O ATOM 382 CB THR A 483 -2.676 9.671 -3.099 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.670 10.378 -2.362 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.644 10.671 -3.722 1.00 2.46 C ATOM 0 H THR A 483 -1.497 7.961 -1.729 1.00 1.25 H new ATOM 0 HA THR A 483 -3.941 9.283 -1.410 1.00 1.59 H new ATOM 0 HB THR A 483 -2.217 9.093 -3.901 1.00 1.93 H new ATOM 0 HG1 THR A 483 -0.933 9.769 -2.147 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.097 11.346 -4.380 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.399 10.136 -4.298 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.129 11.247 -2.934 1.00 2.46 H new ATOM 392 N LEU A 484 -3.950 6.763 -3.510 1.00 0.92 N ATOM 393 CA LEU A 484 -4.819 5.857 -4.253 1.00 0.90 C ATOM 394 C LEU A 484 -5.655 4.983 -3.316 1.00 0.84 C ATOM 395 O LEU A 484 -6.825 4.742 -3.573 1.00 0.91 O ATOM 396 CB LEU A 484 -3.997 4.969 -5.191 1.00 1.15 C ATOM 397 CG LEU A 484 -3.203 5.712 -6.271 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.440 4.724 -7.137 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.127 6.567 -7.128 1.00 2.20 C ATOM 0 H LEU A 484 -2.972 6.475 -3.473 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.499 6.472 -4.843 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.301 4.382 -4.591 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.670 4.264 -5.679 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.488 6.371 -5.779 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.880 5.265 -7.900 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.749 4.154 -6.516 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.143 4.043 -7.617 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.542 7.085 -7.888 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.867 5.930 -7.612 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.634 7.299 -6.498 1.00 2.20 H new ATOM 411 N LEU A 485 -5.049 4.532 -2.221 1.00 1.02 N ATOM 412 CA LEU A 485 -5.680 3.577 -1.307 1.00 1.47 C ATOM 413 C LEU A 485 -6.865 4.212 -0.609 1.00 1.75 C ATOM 414 O LEU A 485 -7.902 3.578 -0.438 1.00 1.92 O ATOM 415 CB LEU A 485 -4.656 3.059 -0.283 1.00 1.90 C ATOM 416 CG LEU A 485 -5.104 1.911 0.634 1.00 2.48 C ATOM 417 CD1 LEU A 485 -5.943 2.419 1.798 1.00 3.19 C ATOM 418 CD2 LEU A 485 -5.873 0.866 -0.159 1.00 3.10 C ATOM 0 H LEU A 485 -4.110 4.815 -1.941 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.043 2.729 -1.887 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.770 2.732 -0.827 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.353 3.896 0.346 1.00 1.90 H new ATOM 0 HG LEU A 485 -4.208 1.450 1.048 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -6.242 1.579 2.425 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -5.357 3.123 2.389 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -6.832 2.920 1.414 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -6.183 0.060 0.506 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -6.754 1.325 -0.608 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -5.234 0.463 -0.945 1.00 3.10 H new ATOM 430 N ASP A 486 -6.716 5.464 -0.208 1.00 1.95 N ATOM 431 CA ASP A 486 -7.846 6.197 0.367 1.00 2.47 C ATOM 432 C ASP A 486 -8.999 6.343 -0.635 1.00 2.33 C ATOM 433 O ASP A 486 -10.084 6.808 -0.281 1.00 2.75 O ATOM 434 CB ASP A 486 -7.415 7.566 0.895 1.00 2.90 C ATOM 435 CG ASP A 486 -6.990 7.503 2.349 1.00 3.47 C ATOM 436 OD1 ASP A 486 -7.842 7.231 3.222 1.00 3.72 O ATOM 437 OD2 ASP A 486 -5.792 7.733 2.625 1.00 3.86 O ATOM 0 H ASP A 486 -5.844 5.991 -0.265 1.00 1.95 H new ATOM 0 HA ASP A 486 -8.209 5.608 1.209 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.590 7.944 0.292 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -8.238 8.272 0.788 1.00 2.90 H new ATOM 442 N ASP A 487 -8.757 5.950 -1.881 1.00 1.85 N ATOM 443 CA ASP A 487 -9.799 5.912 -2.902 1.00 1.83 C ATOM 444 C ASP A 487 -10.054 4.467 -3.350 1.00 1.35 C ATOM 445 O ASP A 487 -11.034 4.180 -4.037 1.00 1.40 O ATOM 446 CB ASP A 487 -9.402 6.784 -4.102 1.00 2.05 C ATOM 447 CG ASP A 487 -10.431 6.760 -5.219 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.562 7.247 -5.002 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.117 6.256 -6.321 1.00 2.59 O ATOM 0 H ASP A 487 -7.839 5.651 -2.211 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.720 6.309 -2.475 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.262 7.812 -3.767 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.443 6.442 -4.491 1.00 2.05 H new ATOM 454 N ILE A 488 -9.174 3.553 -2.940 1.00 1.14 N ATOM 455 CA ILE A 488 -9.295 2.149 -3.322 1.00 1.13 C ATOM 456 C ILE A 488 -10.572 1.541 -2.759 1.00 1.43 C ATOM 457 O ILE A 488 -10.842 1.617 -1.559 1.00 2.27 O ATOM 458 CB ILE A 488 -8.078 1.298 -2.869 1.00 1.34 C ATOM 459 CG1 ILE A 488 -6.849 1.601 -3.734 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.393 -0.194 -2.910 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.100 1.482 -5.224 1.00 1.67 C ATOM 0 H ILE A 488 -8.372 3.761 -2.345 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.328 2.132 -4.411 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.857 1.570 -1.837 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.502 2.611 -3.514 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.045 0.920 -3.456 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.519 -0.759 -2.587 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.230 -0.408 -2.245 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.656 -0.483 -3.928 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.183 1.712 -5.767 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.417 0.466 -5.460 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -7.881 2.183 -5.518 1.00 1.67 H new ATOM 473 N LYS A 489 -11.352 0.946 -3.641 1.00 1.42 N ATOM 474 CA LYS A 489 -12.581 0.285 -3.258 1.00 1.75 C ATOM 475 C LYS A 489 -12.395 -1.219 -3.349 1.00 1.29 C ATOM 476 O LYS A 489 -12.224 -1.766 -4.440 1.00 1.88 O ATOM 477 CB LYS A 489 -13.718 0.739 -4.173 1.00 2.46 C ATOM 478 CG LYS A 489 -13.957 2.238 -4.125 1.00 3.04 C ATOM 479 CD LYS A 489 -14.729 2.648 -2.882 1.00 3.88 C ATOM 480 CE LYS A 489 -16.177 2.190 -2.955 1.00 4.70 C ATOM 481 NZ LYS A 489 -16.859 2.718 -4.167 1.00 5.28 N ATOM 0 H LYS A 489 -11.151 0.908 -4.640 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.834 0.548 -2.231 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.491 0.446 -5.198 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -14.634 0.221 -3.889 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.000 2.759 -4.147 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -14.508 2.547 -5.013 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.254 2.220 -1.999 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.693 3.732 -2.770 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -16.215 1.101 -2.961 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -16.709 2.522 -2.064 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -17.889 2.701 -4.021 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -16.550 3.696 -4.341 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -16.616 2.127 -4.987 1.00 5.28 H new ATOM 495 N GLY A 490 -12.404 -1.881 -2.205 1.00 0.91 N ATOM 496 CA GLY A 490 -12.201 -3.312 -2.181 1.00 0.96 C ATOM 497 C GLY A 490 -11.158 -3.725 -1.168 1.00 0.67 C ATOM 498 O GLY A 490 -9.959 -3.542 -1.389 1.00 0.69 O ATOM 0 H GLY A 490 -12.549 -1.452 -1.291 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.144 -3.807 -1.951 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.897 -3.651 -3.171 1.00 0.96 H new ATOM 502 N ALA A 491 -11.614 -4.288 -0.055 1.00 0.70 N ATOM 503 CA ALA A 491 -10.719 -4.740 1.003 1.00 0.84 C ATOM 504 C ALA A 491 -9.845 -5.896 0.522 1.00 0.71 C ATOM 505 O ALA A 491 -8.700 -6.045 0.947 1.00 0.69 O ATOM 506 CB ALA A 491 -11.519 -5.158 2.228 1.00 1.22 C ATOM 0 H ALA A 491 -12.603 -4.443 0.138 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.066 -3.910 1.274 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.838 -5.493 3.010 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.099 -4.309 2.591 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.194 -5.971 1.962 1.00 1.22 H new ATOM 512 N ASN A 492 -10.387 -6.708 -0.372 1.00 0.73 N ATOM 513 CA ASN A 492 -9.642 -7.834 -0.922 1.00 0.78 C ATOM 514 C ASN A 492 -8.646 -7.333 -1.959 1.00 0.65 C ATOM 515 O ASN A 492 -7.564 -7.899 -2.138 1.00 0.67 O ATOM 516 CB ASN A 492 -10.595 -8.848 -1.552 1.00 1.00 C ATOM 517 CG ASN A 492 -9.903 -10.142 -1.930 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.378 -10.280 -3.034 1.00 2.38 O ATOM 519 ND2 ASN A 492 -9.898 -11.098 -1.014 1.00 2.19 N ATOM 0 H ASN A 492 -11.336 -6.611 -0.732 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.100 -8.327 -0.115 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.404 -9.063 -0.854 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.049 -8.410 -2.441 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.447 -11.991 -1.211 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.345 -10.941 -0.111 1.00 2.19 H new ATOM 526 N ASP A 493 -9.020 -6.251 -2.629 1.00 0.63 N ATOM 527 CA ASP A 493 -8.165 -5.628 -3.628 1.00 0.69 C ATOM 528 C ASP A 493 -6.928 -5.033 -2.970 1.00 0.62 C ATOM 529 O ASP A 493 -5.807 -5.267 -3.418 1.00 0.66 O ATOM 530 CB ASP A 493 -8.927 -4.546 -4.396 1.00 0.86 C ATOM 531 CG ASP A 493 -10.064 -5.115 -5.217 1.00 1.33 C ATOM 532 OD1 ASP A 493 -11.155 -5.343 -4.654 1.00 1.97 O ATOM 533 OD2 ASP A 493 -9.873 -5.340 -6.431 1.00 1.46 O ATOM 0 H ASP A 493 -9.917 -5.784 -2.496 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.852 -6.396 -4.335 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.322 -3.814 -3.692 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -8.237 -4.016 -5.053 1.00 0.86 H new ATOM 538 N LEU A 494 -7.131 -4.282 -1.891 1.00 0.61 N ATOM 539 CA LEU A 494 -6.015 -3.684 -1.169 1.00 0.69 C ATOM 540 C LEU A 494 -5.185 -4.760 -0.474 1.00 0.57 C ATOM 541 O LEU A 494 -3.990 -4.581 -0.246 1.00 0.56 O ATOM 542 CB LEU A 494 -6.505 -2.615 -0.174 1.00 0.91 C ATOM 543 CG LEU A 494 -7.490 -3.076 0.906 1.00 1.15 C ATOM 544 CD1 LEU A 494 -6.761 -3.658 2.111 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.376 -1.916 1.332 1.00 1.77 C ATOM 0 H LEU A 494 -8.050 -4.075 -1.501 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.371 -3.182 -1.891 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -5.633 -2.187 0.321 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.975 -1.812 -0.742 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.112 -3.864 0.483 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -7.489 -3.975 2.858 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -6.166 -4.516 1.797 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.106 -2.900 2.541 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.073 -2.253 2.100 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -7.757 -1.113 1.731 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -8.935 -1.549 0.471 1.00 1.77 H new ATOM 557 N ALA A 495 -5.821 -5.883 -0.145 1.00 0.56 N ATOM 558 CA ALA A 495 -5.102 -7.032 0.391 1.00 0.59 C ATOM 559 C ALA A 495 -4.137 -7.577 -0.657 1.00 0.55 C ATOM 560 O ALA A 495 -3.035 -8.025 -0.336 1.00 0.58 O ATOM 561 CB ALA A 495 -6.072 -8.116 0.840 1.00 0.68 C ATOM 0 H ALA A 495 -6.827 -6.019 -0.240 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.531 -6.710 1.262 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.513 -8.963 1.236 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.727 -7.719 1.615 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.672 -8.442 -0.010 1.00 0.68 H new ATOM 567 N LYS A 496 -4.554 -7.515 -1.917 1.00 0.59 N ATOM 568 CA LYS A 496 -3.708 -7.945 -3.021 1.00 0.68 C ATOM 569 C LYS A 496 -2.599 -6.915 -3.260 1.00 0.63 C ATOM 570 O LYS A 496 -1.472 -7.278 -3.573 1.00 0.65 O ATOM 571 CB LYS A 496 -4.547 -8.154 -4.289 1.00 0.85 C ATOM 572 CG LYS A 496 -3.958 -9.158 -5.279 1.00 1.29 C ATOM 573 CD LYS A 496 -2.791 -8.590 -6.073 1.00 1.77 C ATOM 574 CE LYS A 496 -3.241 -7.485 -7.016 1.00 2.53 C ATOM 575 NZ LYS A 496 -4.263 -7.957 -7.991 1.00 2.98 N ATOM 0 H LYS A 496 -5.472 -7.171 -2.198 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.245 -8.898 -2.764 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.543 -8.490 -4.000 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -4.668 -7.195 -4.792 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.626 -10.043 -4.737 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -4.738 -9.481 -5.969 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.039 -8.200 -5.387 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.317 -9.387 -6.646 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -3.650 -6.659 -6.435 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.378 -7.097 -7.557 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.342 -7.273 -8.770 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -3.979 -8.883 -8.371 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -5.183 -8.046 -7.514 1.00 2.98 H new ATOM 589 N PHE A 497 -2.921 -5.630 -3.100 1.00 0.64 N ATOM 590 CA PHE A 497 -1.906 -4.574 -3.188 1.00 0.70 C ATOM 591 C PHE A 497 -0.902 -4.713 -2.044 1.00 0.62 C ATOM 592 O PHE A 497 0.274 -4.355 -2.167 1.00 0.67 O ATOM 593 CB PHE A 497 -2.553 -3.182 -3.158 1.00 0.84 C ATOM 594 CG PHE A 497 -3.396 -2.877 -4.365 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.871 -2.987 -5.643 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.710 -2.469 -4.218 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.647 -2.710 -6.752 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.492 -2.191 -5.322 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.950 -2.321 -6.600 1.00 1.82 C ATOM 0 H PHE A 497 -3.866 -5.296 -2.911 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.383 -4.684 -4.138 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.171 -3.099 -2.264 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.769 -2.429 -3.075 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.843 -3.293 -5.773 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.129 -2.367 -3.228 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -3.224 -2.801 -7.742 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.517 -1.875 -5.196 1.00 1.72 H new ATOM 0 HZ PHE A 497 -5.558 -2.115 -7.469 1.00 1.82 H new ATOM 609 N HIS A 498 -1.380 -5.269 -0.943 1.00 0.57 N ATOM 610 CA HIS A 498 -0.549 -5.552 0.211 1.00 0.62 C ATOM 611 C HIS A 498 0.433 -6.651 -0.158 1.00 0.54 C ATOM 612 O HIS A 498 1.646 -6.479 -0.043 1.00 0.56 O ATOM 613 CB HIS A 498 -1.429 -5.968 1.399 1.00 0.75 C ATOM 614 CG HIS A 498 -0.669 -6.355 2.634 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.605 -7.648 3.097 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.041 -5.608 3.512 1.00 1.49 C ATOM 617 CE1 HIS A 498 0.108 -7.684 4.204 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.515 -6.459 4.481 1.00 1.69 N ATOM 0 H HIS A 498 -2.357 -5.537 -0.826 1.00 0.57 H new ATOM 0 HA HIS A 498 0.007 -4.662 0.506 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.099 -5.144 1.644 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.054 -6.808 1.095 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.204 -4.542 3.460 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.323 -8.567 4.787 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.087 -6.189 5.282 1.00 1.69 H new ATOM 627 N GLN A 499 -0.109 -7.766 -0.645 1.00 0.54 N ATOM 628 CA GLN A 499 0.701 -8.853 -1.182 1.00 0.60 C ATOM 629 C GLN A 499 1.617 -8.352 -2.285 1.00 0.53 C ATOM 630 O GLN A 499 2.703 -8.890 -2.496 1.00 0.54 O ATOM 631 CB GLN A 499 -0.187 -9.964 -1.742 1.00 0.77 C ATOM 632 CG GLN A 499 -0.554 -11.030 -0.729 1.00 1.43 C ATOM 633 CD GLN A 499 0.664 -11.728 -0.154 1.00 2.00 C ATOM 634 OE1 GLN A 499 1.145 -12.720 -0.704 1.00 2.63 O ATOM 635 NE2 GLN A 499 1.156 -11.235 0.970 1.00 2.58 N ATOM 0 H GLN A 499 -1.114 -7.939 -0.678 1.00 0.54 H new ATOM 0 HA GLN A 499 1.304 -9.247 -0.364 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.102 -9.520 -2.135 1.00 0.77 H new ATOM 0 HB3 GLN A 499 0.324 -10.436 -2.581 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.125 -10.576 0.081 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -1.203 -11.768 -1.201 1.00 1.43 H new ATOM 0 HE21 GLN A 499 0.730 -10.412 1.395 1.00 2.58 H new ATOM 0 HE22 GLN A 499 1.962 -11.678 1.412 1.00 2.58 H new ATOM 644 N MET A 500 1.170 -7.319 -2.982 1.00 0.54 N ATOM 645 CA MET A 500 1.928 -6.763 -4.079 1.00 0.63 C ATOM 646 C MET A 500 3.298 -6.301 -3.597 1.00 0.57 C ATOM 647 O MET A 500 4.324 -6.861 -3.996 1.00 0.58 O ATOM 648 CB MET A 500 1.172 -5.612 -4.746 1.00 0.80 C ATOM 649 CG MET A 500 1.771 -5.187 -6.075 1.00 1.26 C ATOM 650 SD MET A 500 0.777 -3.951 -6.936 1.00 1.91 S ATOM 651 CE MET A 500 0.849 -2.583 -5.780 1.00 2.52 C ATOM 0 H MET A 500 0.282 -6.851 -2.802 1.00 0.54 H new ATOM 0 HA MET A 500 2.068 -7.545 -4.825 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.135 -5.910 -4.902 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.159 -4.756 -4.071 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.770 -4.787 -5.905 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.883 -6.063 -6.713 1.00 1.26 H new ATOM 0 HE1 MET A 500 0.500 -1.674 -6.270 1.00 2.52 H new ATOM 0 HE2 MET A 500 0.214 -2.799 -4.921 1.00 2.52 H new ATOM 0 HE3 MET A 500 1.877 -2.443 -5.445 1.00 2.52 H new ATOM 661 N LEU A 501 3.331 -5.314 -2.706 1.00 0.59 N ATOM 662 CA LEU A 501 4.615 -4.825 -2.214 1.00 0.65 C ATOM 663 C LEU A 501 5.298 -5.876 -1.353 1.00 0.56 C ATOM 664 O LEU A 501 6.521 -5.881 -1.240 1.00 0.62 O ATOM 665 CB LEU A 501 4.506 -3.507 -1.436 1.00 0.85 C ATOM 666 CG LEU A 501 4.165 -2.268 -2.270 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.714 -2.288 -2.709 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.470 -1.004 -1.484 1.00 1.91 C ATOM 0 H LEU A 501 2.510 -4.849 -2.319 1.00 0.59 H new ATOM 0 HA LEU A 501 5.218 -4.624 -3.099 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.744 -3.624 -0.665 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.452 -3.329 -0.925 1.00 0.85 H new ATOM 0 HG LEU A 501 4.785 -2.280 -3.167 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.500 -1.397 -3.299 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.529 -3.176 -3.313 1.00 2.09 H new ATOM 0 HD13 LEU A 501 2.068 -2.305 -1.831 1.00 2.09 H new ATOM 0 HD21 LEU A 501 4.223 -0.131 -2.088 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.877 -0.992 -0.570 1.00 1.91 H new ATOM 0 HD23 LEU A 501 5.530 -0.981 -1.229 1.00 1.91 H new ATOM 680 N VAL A 502 4.517 -6.775 -0.756 1.00 0.53 N ATOM 681 CA VAL A 502 5.093 -7.870 0.018 1.00 0.64 C ATOM 682 C VAL A 502 6.007 -8.735 -0.851 1.00 0.61 C ATOM 683 O VAL A 502 7.112 -9.073 -0.440 1.00 0.73 O ATOM 684 CB VAL A 502 4.011 -8.756 0.687 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.607 -10.062 1.202 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.344 -8.009 1.834 1.00 1.02 C ATOM 0 H VAL A 502 3.498 -6.767 -0.793 1.00 0.53 H new ATOM 0 HA VAL A 502 5.682 -7.410 0.811 1.00 0.64 H new ATOM 0 HB VAL A 502 3.264 -8.992 -0.070 1.00 0.86 H new ATOM 0 HG11 VAL A 502 3.824 -10.662 1.666 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.043 -10.616 0.371 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.380 -9.844 1.938 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.587 -8.646 2.292 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.093 -7.743 2.579 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.873 -7.103 1.453 1.00 1.02 H new ATOM 696 N LYS A 503 5.567 -9.076 -2.057 1.00 0.58 N ATOM 697 CA LYS A 503 6.398 -9.887 -2.935 1.00 0.71 C ATOM 698 C LYS A 503 7.390 -9.016 -3.712 1.00 0.69 C ATOM 699 O LYS A 503 8.364 -9.523 -4.270 1.00 0.84 O ATOM 700 CB LYS A 503 5.551 -10.752 -3.883 1.00 0.88 C ATOM 701 CG LYS A 503 4.780 -9.989 -4.951 1.00 1.35 C ATOM 702 CD LYS A 503 3.971 -10.947 -5.817 1.00 1.44 C ATOM 703 CE LYS A 503 3.329 -10.252 -7.009 1.00 2.04 C ATOM 704 NZ LYS A 503 2.388 -9.183 -6.593 1.00 2.54 N ATOM 0 H LYS A 503 4.660 -8.810 -2.442 1.00 0.58 H new ATOM 0 HA LYS A 503 6.971 -10.568 -2.306 1.00 0.71 H new ATOM 0 HB2 LYS A 503 6.207 -11.470 -4.376 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.841 -11.326 -3.287 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.114 -9.266 -4.480 1.00 1.35 H new ATOM 0 HG3 LYS A 503 5.474 -9.425 -5.574 1.00 1.35 H new ATOM 0 HD2 LYS A 503 4.620 -11.747 -6.173 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.195 -11.413 -5.210 1.00 1.44 H new ATOM 0 HE2 LYS A 503 4.107 -9.823 -7.640 1.00 2.04 H new ATOM 0 HE3 LYS A 503 2.797 -10.987 -7.613 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 1.598 -9.135 -7.267 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 2.021 -9.394 -5.643 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 2.885 -8.270 -6.577 1.00 2.54 H new ATOM 718 N ILE A 504 7.145 -7.706 -3.748 1.00 0.62 N ATOM 719 CA ILE A 504 8.103 -6.775 -4.343 1.00 0.73 C ATOM 720 C ILE A 504 9.365 -6.664 -3.486 1.00 0.73 C ATOM 721 O ILE A 504 10.462 -7.010 -3.928 1.00 0.85 O ATOM 722 CB ILE A 504 7.507 -5.360 -4.543 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.404 -5.381 -5.603 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.595 -4.366 -4.939 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.710 -4.049 -5.785 1.00 1.75 C ATOM 0 H ILE A 504 6.301 -7.269 -3.377 1.00 0.62 H new ATOM 0 HA ILE A 504 8.354 -7.184 -5.322 1.00 0.73 H new ATOM 0 HB ILE A 504 7.073 -5.042 -3.595 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.834 -5.690 -6.556 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.663 -6.132 -5.329 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.154 -3.378 -5.074 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.350 -4.322 -4.154 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.059 -4.687 -5.872 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.941 -4.141 -6.552 1.00 1.75 H new ATOM 0 HD12 ILE A 504 5.250 -3.747 -4.844 1.00 1.75 H new ATOM 0 HD13 ILE A 504 6.439 -3.298 -6.090 1.00 1.75 H new ATOM 737 N ILE A 505 9.198 -6.198 -2.255 1.00 0.71 N ATOM 738 CA ILE A 505 10.331 -5.915 -1.383 1.00 0.85 C ATOM 739 C ILE A 505 10.705 -7.135 -0.549 1.00 0.97 C ATOM 740 O ILE A 505 11.792 -7.192 0.025 1.00 1.20 O ATOM 741 CB ILE A 505 10.033 -4.724 -0.445 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.994 -5.111 0.615 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.542 -3.538 -1.262 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.716 -4.017 1.624 1.00 2.19 C ATOM 745 OXT ILE A 505 9.866 -8.063 -0.459 1.00 1.58 O ATOM 0 H ILE A 505 8.287 -6.008 -1.837 1.00 0.71 H new ATOM 0 HA ILE A 505 11.171 -5.656 -2.027 1.00 0.85 H new ATOM 0 HB ILE A 505 10.952 -4.446 0.071 1.00 1.10 H new ATOM 0 HG12 ILE A 505 8.062 -5.379 0.117 1.00 1.49 H new ATOM 0 HG13 ILE A 505 9.340 -6.000 1.142 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.333 -2.700 -0.597 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.309 -3.249 -1.980 1.00 1.83 H new ATOM 0 HG23 ILE A 505 8.632 -3.815 -1.794 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.972 -4.364 2.341 1.00 2.19 H new ATOM 0 HD12 ILE A 505 9.637 -3.765 2.150 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.339 -3.134 1.108 1.00 2.19 H new