USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=12 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 -50:sc= 1.26 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ -123:sc= -0.263 (180deg=-1.71!) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 SER OG : rot -20:sc= -0.873! USER MOD Single : A 478 LYS NZ :NH3+ 173:sc= 0.313 (180deg=0.295) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl -110:sc= -0.378 (180deg=-1.93!) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ -160:sc= -0.0422 (180deg=-0.321) USER MOD Single : A 492 ASN : amide:sc= -0.23 K(o=-0.23,f=-4.7!) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-1.6) USER MOD Single : A 499 GLN : amide:sc= -0.175 K(o=-0.18,f=-0.99) USER MOD Single : A 500 MET CE :methyl -128:sc= -0.347 (180deg=-3.48!) USER MOD Single : A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.177 1.117 5.680 1.00 1.77 N ATOM 2 CA SER A 462 -5.226 1.694 6.622 1.00 1.60 C ATOM 3 C SER A 462 -4.186 0.668 7.078 1.00 1.25 C ATOM 4 O SER A 462 -3.109 1.031 7.554 1.00 1.09 O ATOM 5 CB SER A 462 -5.979 2.271 7.820 1.00 1.97 C ATOM 6 OG SER A 462 -6.970 3.192 7.387 1.00 2.70 O ATOM 0 HA SER A 462 -4.685 2.494 6.116 1.00 1.60 H new ATOM 0 HB2 SER A 462 -6.446 1.465 8.386 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.280 2.769 8.491 1.00 1.97 H new ATOM 0 HG SER A 462 -6.568 3.838 6.769 1.00 2.70 H new ATOM 14 N VAL A 463 -4.503 -0.614 6.919 1.00 1.25 N ATOM 15 CA VAL A 463 -3.554 -1.673 7.244 1.00 1.07 C ATOM 16 C VAL A 463 -2.341 -1.605 6.318 1.00 0.89 C ATOM 17 O VAL A 463 -1.204 -1.497 6.778 1.00 0.76 O ATOM 18 CB VAL A 463 -4.196 -3.073 7.152 1.00 1.28 C ATOM 19 CG1 VAL A 463 -3.177 -4.158 7.477 1.00 1.28 C ATOM 20 CG2 VAL A 463 -5.395 -3.165 8.082 1.00 1.50 C ATOM 0 H VAL A 463 -5.403 -0.943 6.570 1.00 1.25 H new ATOM 0 HA VAL A 463 -3.238 -1.514 8.275 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.539 -3.229 6.129 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -3.652 -5.136 7.406 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.350 -4.104 6.769 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -2.799 -4.011 8.489 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -5.838 -4.158 8.007 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -5.074 -2.988 9.108 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -6.134 -2.415 7.798 1.00 1.50 H new ATOM 30 N ILE A 464 -2.586 -1.638 5.008 1.00 1.02 N ATOM 31 CA ILE A 464 -1.502 -1.549 4.038 1.00 1.02 C ATOM 32 C ILE A 464 -0.864 -0.160 4.112 1.00 0.88 C ATOM 33 O ILE A 464 0.340 -0.007 3.900 1.00 0.84 O ATOM 34 CB ILE A 464 -1.988 -1.890 2.595 1.00 1.35 C ATOM 35 CG1 ILE A 464 -0.817 -1.960 1.598 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.040 -0.902 2.112 1.00 1.96 C ATOM 37 CD1 ILE A 464 -0.390 -0.622 1.021 1.00 2.72 C ATOM 0 H ILE A 464 -3.517 -1.725 4.600 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.746 -2.293 4.288 1.00 1.02 H new ATOM 0 HB ILE A 464 -2.446 -2.878 2.643 1.00 1.35 H new ATOM 0 HG12 ILE A 464 0.039 -2.415 2.096 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -1.096 -2.621 0.777 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -3.355 -1.170 1.104 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -3.900 -0.930 2.781 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -2.619 0.103 2.105 1.00 1.96 H new ATOM 0 HD11 ILE A 464 0.440 -0.772 0.330 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -1.228 -0.171 0.489 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -0.075 0.039 1.829 1.00 2.72 H new ATOM 49 N ARG A 465 -1.677 0.835 4.466 1.00 0.94 N ATOM 50 CA ARG A 465 -1.195 2.197 4.678 1.00 0.95 C ATOM 51 C ARG A 465 -0.104 2.207 5.745 1.00 0.83 C ATOM 52 O ARG A 465 0.921 2.871 5.598 1.00 0.90 O ATOM 53 CB ARG A 465 -2.349 3.104 5.116 1.00 1.18 C ATOM 54 CG ARG A 465 -1.968 4.568 5.201 1.00 1.57 C ATOM 55 CD ARG A 465 -3.107 5.421 5.731 1.00 1.81 C ATOM 56 NE ARG A 465 -3.159 5.431 7.195 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.157 5.963 7.896 1.00 2.61 C ATOM 58 NH1 ARG A 465 -5.259 6.371 7.281 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.064 6.055 9.216 1.00 3.37 N ATOM 0 H ARG A 465 -2.680 0.720 4.613 1.00 0.94 H new ATOM 0 HA ARG A 465 -0.783 2.570 3.740 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.175 2.992 4.414 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.711 2.774 6.090 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.099 4.680 5.849 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -1.677 4.925 4.213 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -2.993 6.442 5.367 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.052 5.046 5.339 1.00 1.81 H new ATOM 0 HE ARG A 465 -2.386 5.006 7.706 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.343 6.277 6.269 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.023 6.779 7.820 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -3.228 5.718 9.693 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.829 6.463 9.754 1.00 3.37 H new ATOM 73 N SER A 466 -0.340 1.466 6.818 1.00 0.80 N ATOM 74 CA SER A 466 0.635 1.336 7.888 1.00 0.87 C ATOM 75 C SER A 466 1.853 0.552 7.403 1.00 0.85 C ATOM 76 O SER A 466 2.996 0.907 7.712 1.00 1.03 O ATOM 77 CB SER A 466 -0.004 0.640 9.096 1.00 0.96 C ATOM 78 OG SER A 466 0.875 0.602 10.210 1.00 1.63 O ATOM 0 H SER A 466 -1.203 0.944 6.970 1.00 0.80 H new ATOM 0 HA SER A 466 0.964 2.331 8.189 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.920 1.162 9.374 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.287 -0.376 8.822 1.00 0.96 H new ATOM 0 HG SER A 466 0.433 0.153 10.960 1.00 1.63 H new ATOM 84 N ILE A 467 1.599 -0.503 6.630 1.00 0.78 N ATOM 85 CA ILE A 467 2.667 -1.344 6.111 1.00 0.91 C ATOM 86 C ILE A 467 3.678 -0.520 5.314 1.00 0.96 C ATOM 87 O ILE A 467 4.854 -0.460 5.677 1.00 1.18 O ATOM 88 CB ILE A 467 2.125 -2.495 5.227 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.125 -3.352 6.011 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.266 -3.357 4.706 1.00 1.24 C ATOM 91 CD1 ILE A 467 1.695 -3.953 7.279 1.00 1.59 C ATOM 0 H ILE A 467 0.661 -0.792 6.351 1.00 0.78 H new ATOM 0 HA ILE A 467 3.164 -1.784 6.976 1.00 0.91 H new ATOM 0 HB ILE A 467 1.609 -2.054 4.374 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.260 -2.741 6.267 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.768 -4.156 5.368 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.863 -4.159 4.088 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.942 -2.744 4.110 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.811 -3.786 5.547 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.928 -4.545 7.778 1.00 1.59 H new ATOM 0 HD12 ILE A 467 2.542 -4.592 7.030 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.026 -3.155 7.943 1.00 1.59 H new ATOM 103 N ILE A 468 3.219 0.149 4.256 1.00 0.87 N ATOM 104 CA ILE A 468 4.134 0.879 3.384 1.00 0.99 C ATOM 105 C ILE A 468 4.848 2.002 4.134 1.00 1.08 C ATOM 106 O ILE A 468 6.058 2.161 4.000 1.00 1.27 O ATOM 107 CB ILE A 468 3.455 1.403 2.078 1.00 1.02 C ATOM 108 CG1 ILE A 468 2.164 2.203 2.336 1.00 0.80 C ATOM 109 CG2 ILE A 468 3.141 0.222 1.174 1.00 1.34 C ATOM 110 CD1 ILE A 468 2.376 3.640 2.765 1.00 1.65 C ATOM 0 H ILE A 468 2.237 0.200 3.987 1.00 0.87 H new ATOM 0 HA ILE A 468 4.886 0.157 3.064 1.00 0.99 H new ATOM 0 HB ILE A 468 4.160 2.088 1.606 1.00 1.02 H new ATOM 0 HG12 ILE A 468 1.562 2.196 1.427 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.585 1.692 3.105 1.00 0.80 H new ATOM 0 HG21 ILE A 468 2.667 0.579 0.260 1.00 1.34 H new ATOM 0 HG22 ILE A 468 4.064 -0.300 0.923 1.00 1.34 H new ATOM 0 HG23 ILE A 468 2.466 -0.461 1.689 1.00 1.34 H new ATOM 0 HD11 ILE A 468 1.410 4.119 2.922 1.00 1.65 H new ATOM 0 HD12 ILE A 468 2.947 3.662 3.693 1.00 1.65 H new ATOM 0 HD13 ILE A 468 2.924 4.174 1.989 1.00 1.65 H new ATOM 122 N LYS A 469 4.121 2.718 4.984 1.00 1.04 N ATOM 123 CA LYS A 469 4.690 3.866 5.680 1.00 1.27 C ATOM 124 C LYS A 469 5.832 3.417 6.580 1.00 1.47 C ATOM 125 O LYS A 469 6.863 4.086 6.672 1.00 1.68 O ATOM 126 CB LYS A 469 3.617 4.612 6.491 1.00 1.35 C ATOM 127 CG LYS A 469 3.271 3.973 7.827 1.00 1.75 C ATOM 128 CD LYS A 469 2.146 4.698 8.557 1.00 1.96 C ATOM 129 CE LYS A 469 2.548 6.094 9.017 1.00 2.66 C ATOM 130 NZ LYS A 469 2.328 7.122 7.967 1.00 2.97 N ATOM 0 H LYS A 469 3.144 2.526 5.207 1.00 1.04 H new ATOM 0 HA LYS A 469 5.082 4.559 4.936 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.959 5.631 6.669 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.710 4.681 5.891 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.982 2.935 7.664 1.00 1.75 H new ATOM 0 HG3 LYS A 469 4.159 3.961 8.459 1.00 1.75 H new ATOM 0 HD2 LYS A 469 1.280 4.772 7.899 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.840 4.109 9.422 1.00 1.96 H new ATOM 0 HE2 LYS A 469 1.976 6.359 9.906 1.00 2.66 H new ATOM 0 HE3 LYS A 469 3.600 6.090 9.303 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 3.223 7.613 7.769 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.985 6.664 7.099 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.622 7.810 8.298 1.00 2.97 H new ATOM 144 N SER A 470 5.652 2.264 7.211 1.00 1.46 N ATOM 145 CA SER A 470 6.660 1.721 8.107 1.00 1.71 C ATOM 146 C SER A 470 7.589 0.731 7.403 1.00 1.82 C ATOM 147 O SER A 470 8.506 0.191 8.026 1.00 2.10 O ATOM 148 CB SER A 470 5.989 1.058 9.307 1.00 1.74 C ATOM 149 OG SER A 470 5.264 2.009 10.070 1.00 2.10 O ATOM 0 H SER A 470 4.816 1.687 7.118 1.00 1.46 H new ATOM 0 HA SER A 470 7.277 2.552 8.448 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.316 0.272 8.964 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.743 0.582 9.933 1.00 1.74 H new ATOM 0 HG SER A 470 4.841 1.562 10.833 1.00 2.10 H new ATOM 155 N SER A 471 7.363 0.477 6.121 1.00 1.68 N ATOM 156 CA SER A 471 8.269 -0.376 5.369 1.00 1.90 C ATOM 157 C SER A 471 9.343 0.467 4.698 1.00 1.57 C ATOM 158 O SER A 471 9.169 1.674 4.514 1.00 1.83 O ATOM 159 CB SER A 471 7.509 -1.198 4.324 1.00 2.65 C ATOM 160 OG SER A 471 6.898 -0.368 3.352 1.00 3.40 O ATOM 0 H SER A 471 6.574 0.843 5.589 1.00 1.68 H new ATOM 0 HA SER A 471 8.743 -1.069 6.064 1.00 1.90 H new ATOM 0 HB2 SER A 471 8.195 -1.889 3.834 1.00 2.65 H new ATOM 0 HB3 SER A 471 6.748 -1.802 4.818 1.00 2.65 H new ATOM 0 HG SER A 471 6.808 0.541 3.708 1.00 3.40 H new ATOM 166 N ARG A 472 10.448 -0.174 4.333 1.00 1.77 N ATOM 167 CA ARG A 472 11.550 0.505 3.657 1.00 1.99 C ATOM 168 C ARG A 472 11.215 0.733 2.173 1.00 1.90 C ATOM 169 O ARG A 472 12.056 0.578 1.285 1.00 2.38 O ATOM 170 CB ARG A 472 12.865 -0.292 3.826 1.00 2.75 C ATOM 171 CG ARG A 472 12.985 -1.567 2.989 1.00 3.26 C ATOM 172 CD ARG A 472 11.949 -2.628 3.345 1.00 3.92 C ATOM 173 NE ARG A 472 12.114 -3.148 4.703 1.00 4.22 N ATOM 174 CZ ARG A 472 12.656 -4.336 4.993 1.00 4.90 C ATOM 175 NH1 ARG A 472 13.178 -5.091 4.032 1.00 5.31 N ATOM 176 NH2 ARG A 472 12.685 -4.764 6.251 1.00 5.50 N ATOM 0 H ARG A 472 10.606 -1.169 4.495 1.00 1.77 H new ATOM 0 HA ARG A 472 11.694 1.482 4.118 1.00 1.99 H new ATOM 0 HB2 ARG A 472 13.699 0.363 3.576 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.973 -0.559 4.877 1.00 2.75 H new ATOM 0 HG2 ARG A 472 12.883 -1.311 1.934 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.983 -1.986 3.121 1.00 3.26 H new ATOM 0 HD2 ARG A 472 10.950 -2.203 3.242 1.00 3.92 H new ATOM 0 HD3 ARG A 472 12.020 -3.451 2.634 1.00 3.92 H new ATOM 0 HE ARG A 472 11.795 -2.567 5.478 1.00 4.22 H new ATOM 0 HH11 ARG A 472 13.167 -4.766 3.065 1.00 5.31 H new ATOM 0 HH12 ARG A 472 13.590 -5.996 4.261 1.00 5.31 H new ATOM 0 HH21 ARG A 472 12.294 -4.187 6.995 1.00 5.50 H new ATOM 0 HH22 ARG A 472 13.098 -5.670 6.472 1.00 5.50 H new ATOM 190 N LEU A 473 9.975 1.127 1.921 1.00 1.57 N ATOM 191 CA LEU A 473 9.489 1.364 0.585 1.00 1.68 C ATOM 192 C LEU A 473 9.700 2.827 0.221 1.00 1.46 C ATOM 193 O LEU A 473 9.631 3.707 1.082 1.00 2.00 O ATOM 194 CB LEU A 473 8.004 0.990 0.515 1.00 2.11 C ATOM 195 CG LEU A 473 7.315 1.303 -0.808 1.00 1.80 C ATOM 196 CD1 LEU A 473 7.895 0.470 -1.933 1.00 2.32 C ATOM 197 CD2 LEU A 473 5.821 1.076 -0.710 1.00 2.17 C ATOM 0 H LEU A 473 9.279 1.290 2.649 1.00 1.57 H new ATOM 0 HA LEU A 473 10.037 0.749 -0.129 1.00 1.68 H new ATOM 0 HB2 LEU A 473 7.905 -0.077 0.714 1.00 2.11 H new ATOM 0 HB3 LEU A 473 7.477 1.513 1.313 1.00 2.11 H new ATOM 0 HG LEU A 473 7.491 2.356 -1.029 1.00 1.80 H new ATOM 0 HD11 LEU A 473 7.386 0.713 -2.866 1.00 2.32 H new ATOM 0 HD12 LEU A 473 8.959 0.685 -2.034 1.00 2.32 H new ATOM 0 HD13 LEU A 473 7.758 -0.588 -1.710 1.00 2.32 H new ATOM 0 HD21 LEU A 473 5.354 1.307 -1.668 1.00 2.17 H new ATOM 0 HD22 LEU A 473 5.627 0.034 -0.454 1.00 2.17 H new ATOM 0 HD23 LEU A 473 5.405 1.723 0.062 1.00 2.17 H new ATOM 209 N GLU A 474 9.993 3.061 -1.052 1.00 1.28 N ATOM 210 CA GLU A 474 10.236 4.398 -1.586 1.00 1.36 C ATOM 211 C GLU A 474 9.115 5.371 -1.239 1.00 1.06 C ATOM 212 O GLU A 474 7.934 5.041 -1.371 1.00 1.14 O ATOM 213 CB GLU A 474 10.408 4.335 -3.105 1.00 1.92 C ATOM 214 CG GLU A 474 9.595 3.230 -3.759 1.00 2.48 C ATOM 215 CD GLU A 474 10.402 1.962 -3.954 1.00 3.00 C ATOM 216 OE1 GLU A 474 10.647 1.247 -2.960 1.00 3.47 O ATOM 217 OE2 GLU A 474 10.790 1.670 -5.100 1.00 3.36 O ATOM 0 H GLU A 474 10.070 2.322 -1.751 1.00 1.28 H new ATOM 0 HA GLU A 474 11.151 4.767 -1.123 1.00 1.36 H new ATOM 0 HB2 GLU A 474 10.118 5.293 -3.536 1.00 1.92 H new ATOM 0 HB3 GLU A 474 11.462 4.187 -3.338 1.00 1.92 H new ATOM 0 HG2 GLU A 474 8.722 3.012 -3.144 1.00 2.48 H new ATOM 0 HG3 GLU A 474 9.226 3.576 -4.725 1.00 2.48 H new ATOM 224 N GLU A 475 9.505 6.565 -0.809 1.00 0.94 N ATOM 225 CA GLU A 475 8.577 7.566 -0.287 1.00 0.84 C ATOM 226 C GLU A 475 7.377 7.800 -1.193 1.00 0.73 C ATOM 227 O GLU A 475 6.246 7.498 -0.811 1.00 0.73 O ATOM 228 CB GLU A 475 9.314 8.879 -0.046 1.00 1.20 C ATOM 229 CG GLU A 475 10.081 8.897 1.259 1.00 1.66 C ATOM 230 CD GLU A 475 9.186 9.183 2.448 1.00 2.13 C ATOM 231 OE1 GLU A 475 7.991 8.827 2.395 1.00 2.79 O ATOM 232 OE2 GLU A 475 9.668 9.753 3.448 1.00 2.49 O ATOM 0 H GLU A 475 10.478 6.869 -0.812 1.00 0.94 H new ATOM 0 HA GLU A 475 8.187 7.176 0.653 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.005 9.057 -0.870 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.595 9.698 -0.050 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.574 7.935 1.401 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.865 9.653 1.207 1.00 1.66 H new ATOM 239 N ASP A 476 7.617 8.323 -2.390 1.00 0.88 N ATOM 240 CA ASP A 476 6.522 8.732 -3.262 1.00 0.98 C ATOM 241 C ASP A 476 5.633 7.547 -3.624 1.00 0.85 C ATOM 242 O ASP A 476 4.418 7.684 -3.659 1.00 0.84 O ATOM 243 CB ASP A 476 7.032 9.423 -4.529 1.00 1.36 C ATOM 244 CG ASP A 476 7.614 8.461 -5.543 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.665 7.859 -5.250 1.00 2.43 O ATOM 246 OD2 ASP A 476 7.033 8.309 -6.636 1.00 2.63 O ATOM 0 H ASP A 476 8.549 8.473 -2.776 1.00 0.88 H new ATOM 0 HA ASP A 476 5.925 9.454 -2.705 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.212 9.973 -4.990 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.792 10.155 -4.255 1.00 1.36 H new ATOM 251 N ARG A 477 6.241 6.391 -3.882 1.00 0.89 N ATOM 252 CA ARG A 477 5.491 5.171 -4.139 1.00 0.96 C ATOM 253 C ARG A 477 4.519 4.876 -3.011 1.00 0.80 C ATOM 254 O ARG A 477 3.327 4.691 -3.243 1.00 0.85 O ATOM 255 CB ARG A 477 6.440 3.984 -4.307 1.00 1.23 C ATOM 256 CG ARG A 477 6.255 3.224 -5.610 1.00 1.57 C ATOM 257 CD ARG A 477 6.844 3.978 -6.795 1.00 1.89 C ATOM 258 NE ARG A 477 6.354 5.355 -6.878 1.00 1.95 N ATOM 259 CZ ARG A 477 5.364 5.748 -7.683 1.00 2.54 C ATOM 260 NH1 ARG A 477 4.673 4.856 -8.379 1.00 2.96 N ATOM 261 NH2 ARG A 477 5.045 7.031 -7.761 1.00 2.98 N ATOM 0 H ARG A 477 7.254 6.277 -3.918 1.00 0.89 H new ATOM 0 HA ARG A 477 4.927 5.321 -5.060 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.468 4.343 -4.250 1.00 1.23 H new ATOM 0 HB3 ARG A 477 6.296 3.296 -3.474 1.00 1.23 H new ATOM 0 HG2 ARG A 477 6.729 2.246 -5.530 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.193 3.051 -5.782 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.931 3.986 -6.713 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.597 3.451 -7.717 1.00 1.89 H new ATOM 0 HE ARG A 477 6.796 6.057 -6.285 1.00 1.95 H new ATOM 0 HH11 ARG A 477 4.897 3.864 -8.301 1.00 2.96 H new ATOM 0 HH12 ARG A 477 3.918 5.162 -8.992 1.00 2.96 H new ATOM 0 HH21 ARG A 477 5.556 7.718 -7.206 1.00 2.98 H new ATOM 0 HH22 ARG A 477 4.289 7.332 -8.376 1.00 2.98 H new ATOM 275 N LYS A 478 5.026 4.851 -1.788 1.00 0.77 N ATOM 276 CA LYS A 478 4.204 4.478 -0.652 1.00 0.90 C ATOM 277 C LYS A 478 3.198 5.568 -0.314 1.00 0.74 C ATOM 278 O LYS A 478 2.079 5.275 0.074 1.00 0.80 O ATOM 279 CB LYS A 478 5.056 4.118 0.569 1.00 1.21 C ATOM 280 CG LYS A 478 5.890 5.242 1.159 1.00 1.27 C ATOM 281 CD LYS A 478 6.730 4.724 2.316 1.00 1.66 C ATOM 282 CE LYS A 478 7.455 5.840 3.039 1.00 1.97 C ATOM 283 NZ LYS A 478 8.245 5.331 4.194 1.00 2.30 N ATOM 0 H LYS A 478 5.993 5.082 -1.560 1.00 0.77 H new ATOM 0 HA LYS A 478 3.647 3.586 -0.938 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.395 3.736 1.347 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.725 3.304 0.292 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.538 5.665 0.391 1.00 1.27 H new ATOM 0 HG3 LYS A 478 5.239 6.045 1.504 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.089 4.193 3.020 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.457 4.003 1.941 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.119 6.353 2.343 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.731 6.576 3.390 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 8.819 6.103 4.590 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 7.599 4.970 4.925 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.870 4.563 3.876 1.00 2.30 H new ATOM 297 N ARG A 479 3.599 6.816 -0.469 1.00 0.71 N ATOM 298 CA ARG A 479 2.690 7.940 -0.258 1.00 0.86 C ATOM 299 C ARG A 479 1.571 7.929 -1.299 1.00 0.80 C ATOM 300 O ARG A 479 0.408 8.202 -0.986 1.00 0.90 O ATOM 301 CB ARG A 479 3.453 9.263 -0.316 1.00 1.09 C ATOM 302 CG ARG A 479 4.466 9.433 0.804 1.00 1.22 C ATOM 303 CD ARG A 479 5.190 10.766 0.712 1.00 1.88 C ATOM 304 NE ARG A 479 6.302 10.850 1.663 1.00 2.47 N ATOM 305 CZ ARG A 479 6.715 11.977 2.250 1.00 3.27 C ATOM 306 NH1 ARG A 479 6.107 13.133 2.004 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.742 11.943 3.088 1.00 4.14 N ATOM 0 H ARG A 479 4.546 7.082 -0.740 1.00 0.71 H new ATOM 0 HA ARG A 479 2.244 7.838 0.731 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.968 9.333 -1.274 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.739 10.086 -0.277 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.960 9.360 1.766 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.192 8.621 0.764 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.567 10.905 -0.301 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.486 11.576 0.904 1.00 1.88 H new ATOM 0 HE ARG A 479 6.795 9.987 1.893 1.00 2.47 H new ATOM 0 HH11 ARG A 479 5.316 13.166 1.361 1.00 3.65 H new ATOM 0 HH12 ARG A 479 6.431 13.987 2.458 1.00 3.65 H new ATOM 0 HH21 ARG A 479 8.213 11.059 3.282 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.061 12.801 3.539 1.00 4.14 H new ATOM 321 N TYR A 480 1.938 7.595 -2.533 1.00 0.83 N ATOM 322 CA TYR A 480 0.989 7.458 -3.632 1.00 1.03 C ATOM 323 C TYR A 480 0.009 6.320 -3.339 1.00 0.82 C ATOM 324 O TYR A 480 -1.215 6.498 -3.374 1.00 0.82 O ATOM 325 CB TYR A 480 1.766 7.196 -4.932 1.00 1.44 C ATOM 326 CG TYR A 480 0.920 6.996 -6.172 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.190 8.052 -6.702 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.832 5.759 -6.798 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.606 7.882 -7.818 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.040 5.582 -7.921 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.593 6.610 -8.478 1.00 2.55 C ATOM 332 OH TYR A 480 -1.473 6.482 -9.543 1.00 2.93 O ATOM 0 H TYR A 480 2.905 7.411 -2.799 1.00 0.83 H new ATOM 0 HA TYR A 480 0.412 8.376 -3.743 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.441 8.034 -5.106 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.387 6.311 -4.791 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.246 9.023 -6.233 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.389 4.922 -6.403 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.224 8.689 -8.185 1.00 2.45 H new ATOM 0 HE2 TYR A 480 -0.065 4.596 -8.349 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.392 5.585 -9.928 1.00 2.93 H new ATOM 342 N LEU A 481 0.557 5.157 -3.012 1.00 0.91 N ATOM 343 CA LEU A 481 -0.254 3.992 -2.687 1.00 1.15 C ATOM 344 C LEU A 481 -1.035 4.217 -1.400 1.00 1.03 C ATOM 345 O LEU A 481 -2.071 3.610 -1.184 1.00 1.19 O ATOM 346 CB LEU A 481 0.627 2.749 -2.562 1.00 1.66 C ATOM 347 CG LEU A 481 1.406 2.377 -3.828 1.00 2.09 C ATOM 348 CD1 LEU A 481 2.271 1.153 -3.584 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.456 2.137 -4.992 1.00 2.73 C ATOM 0 H LEU A 481 1.563 4.996 -2.965 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.967 3.837 -3.497 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.337 2.905 -1.750 1.00 1.66 H new ATOM 0 HB3 LEU A 481 -0.001 1.904 -2.278 1.00 1.66 H new ATOM 0 HG LEU A 481 2.058 3.212 -4.085 1.00 2.09 H new ATOM 0 HD11 LEU A 481 2.816 0.905 -4.495 1.00 2.68 H new ATOM 0 HD12 LEU A 481 2.980 1.362 -2.783 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.639 0.312 -3.299 1.00 2.68 H new ATOM 0 HD21 LEU A 481 1.029 1.874 -5.881 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -0.224 1.322 -4.745 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -0.119 3.043 -5.185 1.00 2.73 H new ATOM 361 N MET A 482 -0.536 5.100 -0.552 1.00 1.05 N ATOM 362 CA MET A 482 -1.213 5.440 0.691 1.00 1.49 C ATOM 363 C MET A 482 -2.499 6.199 0.401 1.00 1.39 C ATOM 364 O MET A 482 -3.581 5.789 0.827 1.00 1.65 O ATOM 365 CB MET A 482 -0.291 6.285 1.578 1.00 2.05 C ATOM 366 CG MET A 482 -0.925 6.748 2.878 1.00 3.10 C ATOM 367 SD MET A 482 0.224 7.664 3.928 1.00 4.00 S ATOM 368 CE MET A 482 0.608 9.069 2.882 1.00 4.93 C ATOM 0 H MET A 482 0.341 5.598 -0.702 1.00 1.05 H new ATOM 0 HA MET A 482 -1.462 4.518 1.217 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.602 5.705 1.810 1.00 2.05 H new ATOM 0 HB3 MET A 482 0.034 7.160 1.014 1.00 2.05 H new ATOM 0 HG2 MET A 482 -1.786 7.378 2.653 1.00 3.10 H new ATOM 0 HG3 MET A 482 -1.298 5.882 3.424 1.00 3.10 H new ATOM 0 HE1 MET A 482 1.638 8.993 2.535 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.064 9.078 2.024 1.00 4.93 H new ATOM 0 HE3 MET A 482 0.483 9.991 3.450 1.00 4.93 H new ATOM 378 N THR A 483 -2.377 7.286 -0.350 1.00 1.25 N ATOM 379 CA THR A 483 -3.519 8.130 -0.659 1.00 1.59 C ATOM 380 C THR A 483 -4.525 7.388 -1.537 1.00 1.32 C ATOM 381 O THR A 483 -5.721 7.679 -1.508 1.00 1.59 O ATOM 382 CB THR A 483 -3.078 9.457 -1.327 1.00 1.93 C ATOM 383 OG1 THR A 483 -4.186 10.360 -1.442 1.00 2.27 O ATOM 384 CG2 THR A 483 -2.475 9.223 -2.702 1.00 2.46 C ATOM 0 H THR A 483 -1.496 7.602 -0.756 1.00 1.25 H new ATOM 0 HA THR A 483 -4.008 8.380 0.283 1.00 1.59 H new ATOM 0 HB THR A 483 -2.314 9.897 -0.686 1.00 1.93 H new ATOM 0 HG1 THR A 483 -3.887 11.192 -1.865 1.00 2.27 H new ATOM 0 HG21 THR A 483 -2.179 10.178 -3.137 1.00 2.46 H new ATOM 0 HG22 THR A 483 -1.601 8.579 -2.611 1.00 2.46 H new ATOM 0 HG23 THR A 483 -3.213 8.744 -3.346 1.00 2.46 H new ATOM 392 N LEU A 484 -4.039 6.421 -2.304 1.00 0.92 N ATOM 393 CA LEU A 484 -4.921 5.606 -3.125 1.00 0.90 C ATOM 394 C LEU A 484 -5.528 4.449 -2.334 1.00 0.84 C ATOM 395 O LEU A 484 -6.744 4.363 -2.186 1.00 0.91 O ATOM 396 CB LEU A 484 -4.185 5.051 -4.339 1.00 1.15 C ATOM 397 CG LEU A 484 -3.727 6.088 -5.363 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.108 5.404 -6.569 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.894 6.966 -5.795 1.00 2.20 C ATOM 0 H LEU A 484 -3.049 6.184 -2.374 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.727 6.260 -3.458 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.312 4.499 -3.991 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.836 4.334 -4.840 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.973 6.721 -4.896 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.787 6.157 -7.289 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -2.247 4.815 -6.251 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.845 4.748 -7.033 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.548 7.698 -6.524 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.670 6.345 -6.244 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -5.301 7.484 -4.926 1.00 2.20 H new ATOM 411 N LEU A 485 -4.684 3.562 -1.815 1.00 1.02 N ATOM 412 CA LEU A 485 -5.167 2.317 -1.228 1.00 1.47 C ATOM 413 C LEU A 485 -5.974 2.550 0.040 1.00 1.75 C ATOM 414 O LEU A 485 -6.939 1.829 0.293 1.00 1.92 O ATOM 415 CB LEU A 485 -4.024 1.334 -0.963 1.00 1.90 C ATOM 416 CG LEU A 485 -3.603 0.477 -2.167 1.00 2.48 C ATOM 417 CD1 LEU A 485 -3.057 1.338 -3.297 1.00 3.19 C ATOM 418 CD2 LEU A 485 -2.580 -0.563 -1.746 1.00 3.10 C ATOM 0 H LEU A 485 -3.671 3.680 -1.789 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.835 1.872 -1.966 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.156 1.896 -0.617 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.319 0.670 -0.151 1.00 1.90 H new ATOM 0 HG LEU A 485 -4.490 -0.036 -2.539 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -2.768 0.701 -4.133 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -3.825 2.040 -3.623 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.186 1.891 -2.945 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.293 -1.161 -2.611 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -1.700 -0.064 -1.341 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -3.013 -1.211 -0.984 1.00 3.10 H new ATOM 430 N ASP A 486 -5.622 3.571 0.822 1.00 1.95 N ATOM 431 CA ASP A 486 -6.396 3.884 2.025 1.00 2.47 C ATOM 432 C ASP A 486 -7.799 4.359 1.642 1.00 2.33 C ATOM 433 O ASP A 486 -8.691 4.448 2.485 1.00 2.75 O ATOM 434 CB ASP A 486 -5.692 4.943 2.879 1.00 2.90 C ATOM 435 CG ASP A 486 -6.385 5.176 4.213 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.229 4.339 5.124 1.00 3.72 O ATOM 437 OD2 ASP A 486 -7.082 6.202 4.360 1.00 3.86 O ATOM 0 H ASP A 486 -4.825 4.184 0.651 1.00 1.95 H new ATOM 0 HA ASP A 486 -6.478 2.974 2.619 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -4.662 4.634 3.058 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -5.651 5.882 2.326 1.00 2.90 H new ATOM 442 N ASP A 487 -7.989 4.647 0.360 1.00 1.85 N ATOM 443 CA ASP A 487 -9.290 5.051 -0.148 1.00 1.83 C ATOM 444 C ASP A 487 -9.821 4.027 -1.161 1.00 1.35 C ATOM 445 O ASP A 487 -10.932 4.168 -1.673 1.00 1.40 O ATOM 446 CB ASP A 487 -9.203 6.445 -0.784 1.00 2.05 C ATOM 447 CG ASP A 487 -10.545 6.958 -1.275 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.467 7.112 -0.442 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.685 7.223 -2.492 1.00 2.59 O ATOM 0 H ASP A 487 -7.255 4.607 -0.347 1.00 1.85 H new ATOM 0 HA ASP A 487 -9.988 5.093 0.688 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.797 7.146 -0.055 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.504 6.414 -1.620 1.00 2.05 H new ATOM 454 N ILE A 488 -9.031 2.987 -1.451 1.00 1.14 N ATOM 455 CA ILE A 488 -9.486 1.929 -2.353 1.00 1.13 C ATOM 456 C ILE A 488 -10.700 1.227 -1.758 1.00 1.43 C ATOM 457 O ILE A 488 -10.617 0.611 -0.696 1.00 2.27 O ATOM 458 CB ILE A 488 -8.387 0.877 -2.672 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.292 1.478 -3.560 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.991 -0.347 -3.351 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.810 2.103 -4.841 1.00 1.67 C ATOM 0 H ILE A 488 -8.090 2.858 -1.080 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.745 2.415 -3.294 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.939 0.570 -1.727 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.752 2.235 -2.991 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.575 0.697 -3.813 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.204 -1.070 -3.565 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.731 -0.801 -2.692 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.471 -0.047 -4.283 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.974 2.505 -5.413 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -8.324 1.346 -5.433 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.504 2.907 -4.598 1.00 1.67 H new ATOM 473 N LYS A 489 -11.829 1.337 -2.442 1.00 1.42 N ATOM 474 CA LYS A 489 -13.081 0.773 -1.959 1.00 1.75 C ATOM 475 C LYS A 489 -13.235 -0.668 -2.430 1.00 1.29 C ATOM 476 O LYS A 489 -14.279 -1.068 -2.940 1.00 1.88 O ATOM 477 CB LYS A 489 -14.256 1.628 -2.435 1.00 2.46 C ATOM 478 CG LYS A 489 -14.097 3.102 -2.089 1.00 3.04 C ATOM 479 CD LYS A 489 -13.940 3.315 -0.589 1.00 3.88 C ATOM 480 CE LYS A 489 -15.277 3.274 0.129 1.00 4.70 C ATOM 481 NZ LYS A 489 -16.124 4.443 -0.232 1.00 5.28 N ATOM 0 H LYS A 489 -11.904 1.815 -3.340 1.00 1.42 H new ATOM 0 HA LYS A 489 -13.070 0.772 -0.869 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -14.361 1.523 -3.515 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -15.176 1.253 -1.988 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.227 3.506 -2.607 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -14.966 3.655 -2.446 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -13.284 2.547 -0.180 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -13.459 4.276 -0.407 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -15.800 2.352 -0.125 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.113 3.261 1.206 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -16.856 4.579 0.494 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -15.532 5.296 -0.291 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -16.577 4.272 -1.152 1.00 5.28 H new ATOM 495 N GLY A 490 -12.170 -1.432 -2.253 1.00 0.91 N ATOM 496 CA GLY A 490 -12.161 -2.827 -2.629 1.00 0.96 C ATOM 497 C GLY A 490 -11.215 -3.617 -1.755 1.00 0.67 C ATOM 498 O GLY A 490 -10.060 -3.834 -2.123 1.00 0.69 O ATOM 0 H GLY A 490 -11.295 -1.101 -1.847 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.168 -3.237 -2.545 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.864 -2.924 -3.673 1.00 0.96 H new ATOM 502 N ALA A 491 -11.713 -4.038 -0.597 1.00 0.70 N ATOM 503 CA ALA A 491 -10.900 -4.697 0.423 1.00 0.84 C ATOM 504 C ALA A 491 -10.117 -5.879 -0.135 1.00 0.71 C ATOM 505 O ALA A 491 -8.931 -6.027 0.143 1.00 0.69 O ATOM 506 CB ALA A 491 -11.778 -5.150 1.580 1.00 1.22 C ATOM 0 H ALA A 491 -12.694 -3.932 -0.337 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.173 -3.967 0.779 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.162 -5.640 2.334 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.273 -4.285 2.022 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.529 -5.850 1.214 1.00 1.22 H new ATOM 512 N ASN A 492 -10.781 -6.706 -0.930 1.00 0.73 N ATOM 513 CA ASN A 492 -10.154 -7.894 -1.502 1.00 0.78 C ATOM 514 C ASN A 492 -8.963 -7.511 -2.373 1.00 0.65 C ATOM 515 O ASN A 492 -7.880 -8.096 -2.273 1.00 0.67 O ATOM 516 CB ASN A 492 -11.153 -8.690 -2.353 1.00 1.00 C ATOM 517 CG ASN A 492 -12.443 -9.043 -1.627 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.986 -8.249 -0.853 1.00 2.38 O ATOM 519 ND2 ASN A 492 -12.934 -10.247 -1.866 1.00 2.19 N ATOM 0 H ASN A 492 -11.757 -6.577 -1.196 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.815 -8.513 -0.671 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.397 -8.112 -3.244 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.675 -9.610 -2.690 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -13.792 -10.549 -1.404 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -12.455 -10.874 -2.513 1.00 2.19 H new ATOM 526 N ASP A 493 -9.166 -6.501 -3.207 1.00 0.63 N ATOM 527 CA ASP A 493 -8.167 -6.110 -4.190 1.00 0.69 C ATOM 528 C ASP A 493 -6.987 -5.409 -3.532 1.00 0.62 C ATOM 529 O ASP A 493 -5.835 -5.635 -3.907 1.00 0.66 O ATOM 530 CB ASP A 493 -8.792 -5.208 -5.250 1.00 0.86 C ATOM 531 CG ASP A 493 -7.845 -4.930 -6.397 1.00 1.33 C ATOM 532 OD1 ASP A 493 -7.730 -5.789 -7.298 1.00 1.46 O ATOM 533 OD2 ASP A 493 -7.216 -3.858 -6.407 1.00 1.97 O ATOM 0 H ASP A 493 -10.016 -5.937 -3.222 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.795 -7.016 -4.668 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.698 -5.677 -5.635 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -9.091 -4.265 -4.792 1.00 0.86 H new ATOM 538 N LEU A 494 -7.266 -4.570 -2.540 1.00 0.61 N ATOM 539 CA LEU A 494 -6.206 -3.870 -1.824 1.00 0.69 C ATOM 540 C LEU A 494 -5.456 -4.837 -0.916 1.00 0.57 C ATOM 541 O LEU A 494 -4.286 -4.626 -0.605 1.00 0.56 O ATOM 542 CB LEU A 494 -6.760 -2.668 -1.037 1.00 0.91 C ATOM 543 CG LEU A 494 -7.826 -2.976 0.020 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.195 -3.460 1.316 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.684 -1.750 0.277 1.00 1.77 C ATOM 0 H LEU A 494 -8.210 -4.359 -2.215 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.501 -3.474 -2.555 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -5.926 -2.169 -0.545 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -7.181 -1.958 -1.749 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.458 -3.776 -0.365 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -7.977 -3.670 2.045 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -6.623 -4.368 1.125 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.531 -2.689 1.708 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.437 -1.984 1.030 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -8.055 -0.934 0.634 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -9.177 -1.450 -0.648 1.00 1.77 H new ATOM 557 N ALA A 495 -6.131 -5.903 -0.493 1.00 0.56 N ATOM 558 CA ALA A 495 -5.479 -6.960 0.262 1.00 0.59 C ATOM 559 C ALA A 495 -4.473 -7.671 -0.629 1.00 0.55 C ATOM 560 O ALA A 495 -3.360 -7.992 -0.206 1.00 0.58 O ATOM 561 CB ALA A 495 -6.502 -7.944 0.809 1.00 0.68 C ATOM 0 H ALA A 495 -7.126 -6.054 -0.661 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.956 -6.519 1.111 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.991 -8.726 1.370 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -7.196 -7.420 1.466 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -7.054 -8.392 -0.017 1.00 0.68 H new ATOM 567 N LYS A 496 -4.868 -7.894 -1.876 1.00 0.59 N ATOM 568 CA LYS A 496 -3.982 -8.480 -2.866 1.00 0.68 C ATOM 569 C LYS A 496 -2.864 -7.494 -3.214 1.00 0.63 C ATOM 570 O LYS A 496 -1.721 -7.892 -3.399 1.00 0.65 O ATOM 571 CB LYS A 496 -4.780 -8.886 -4.116 1.00 0.85 C ATOM 572 CG LYS A 496 -3.978 -9.652 -5.164 1.00 1.29 C ATOM 573 CD LYS A 496 -3.317 -8.724 -6.175 1.00 1.77 C ATOM 574 CE LYS A 496 -4.353 -7.930 -6.952 1.00 2.53 C ATOM 575 NZ LYS A 496 -3.739 -7.075 -7.998 1.00 2.98 N ATOM 0 H LYS A 496 -5.802 -7.676 -2.224 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.524 -9.380 -2.454 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.627 -9.499 -3.807 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.189 -7.987 -4.577 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.213 -10.250 -4.668 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -4.636 -10.346 -5.687 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.643 -8.040 -5.659 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.710 -9.308 -6.866 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -5.061 -8.617 -7.416 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -4.921 -7.305 -6.262 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.484 -6.553 -8.501 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -3.083 -6.401 -7.554 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -3.219 -7.671 -8.673 1.00 2.98 H new ATOM 589 N PHE A 497 -3.203 -6.205 -3.277 1.00 0.64 N ATOM 590 CA PHE A 497 -2.219 -5.153 -3.541 1.00 0.70 C ATOM 591 C PHE A 497 -1.212 -5.088 -2.390 1.00 0.62 C ATOM 592 O PHE A 497 -0.031 -4.798 -2.582 1.00 0.67 O ATOM 593 CB PHE A 497 -2.926 -3.795 -3.699 1.00 0.84 C ATOM 594 CG PHE A 497 -2.215 -2.819 -4.602 1.00 0.98 C ATOM 595 CD1 PHE A 497 -0.838 -2.665 -4.520 1.00 1.34 C ATOM 596 CD2 PHE A 497 -2.914 -2.053 -5.523 1.00 1.27 C ATOM 597 CE1 PHE A 497 -0.176 -1.772 -5.339 1.00 1.67 C ATOM 598 CE2 PHE A 497 -2.256 -1.158 -6.345 1.00 1.72 C ATOM 599 CZ PHE A 497 -0.920 -1.021 -6.286 1.00 1.82 C ATOM 0 H PHE A 497 -4.155 -5.863 -3.148 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.691 -5.383 -4.466 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.930 -3.966 -4.089 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -3.039 -3.342 -2.714 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -0.277 -3.251 -3.807 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -3.986 -2.157 -5.599 1.00 1.27 H new ATOM 0 HE1 PHE A 497 0.894 -1.647 -5.260 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -2.823 -0.561 -7.044 1.00 1.72 H new ATOM 0 HZ PHE A 497 -0.415 -0.342 -6.957 1.00 1.82 H new ATOM 609 N HIS A 498 -1.697 -5.402 -1.201 1.00 0.57 N ATOM 610 CA HIS A 498 -0.884 -5.387 0.008 1.00 0.62 C ATOM 611 C HIS A 498 0.117 -6.520 -0.045 1.00 0.54 C ATOM 612 O HIS A 498 1.322 -6.310 0.117 1.00 0.56 O ATOM 613 CB HIS A 498 -1.780 -5.510 1.254 1.00 0.75 C ATOM 614 CG HIS A 498 -1.075 -5.993 2.491 1.00 1.03 C ATOM 615 ND1 HIS A 498 -1.320 -7.226 3.054 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.137 -5.406 3.272 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.567 -7.378 4.124 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.160 -6.290 4.281 1.00 1.69 N ATOM 0 H HIS A 498 -2.667 -5.675 -1.044 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.345 -4.442 0.071 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.224 -4.537 1.462 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.599 -6.193 1.029 1.00 0.75 H new ATOM 0 HD1 HIS A 498 -1.982 -7.915 2.697 1.00 1.62 H new ATOM 0 HD2 HIS A 498 0.296 -4.427 3.129 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.548 -8.247 4.764 1.00 1.85 H new ATOM 627 N GLN A 499 -0.398 -7.718 -0.282 1.00 0.54 N ATOM 628 CA GLN A 499 0.439 -8.891 -0.430 1.00 0.60 C ATOM 629 C GLN A 499 1.404 -8.669 -1.578 1.00 0.53 C ATOM 630 O GLN A 499 2.550 -9.104 -1.539 1.00 0.54 O ATOM 631 CB GLN A 499 -0.415 -10.121 -0.719 1.00 0.77 C ATOM 632 CG GLN A 499 0.331 -11.428 -0.522 1.00 1.43 C ATOM 633 CD GLN A 499 0.703 -11.662 0.930 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.010 -11.240 1.842 1.00 2.63 O ATOM 635 NE2 GLN A 499 1.815 -12.337 1.156 1.00 2.58 N ATOM 0 H GLN A 499 -1.397 -7.899 -0.376 1.00 0.54 H new ATOM 0 HA GLN A 499 0.989 -9.055 0.497 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.290 -10.108 -0.069 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.779 -10.069 -1.745 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -0.287 -12.254 -0.875 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.235 -11.424 -1.131 1.00 1.43 H new ATOM 0 HE21 GLN A 499 2.378 -12.670 0.373 1.00 2.58 H new ATOM 0 HE22 GLN A 499 2.111 -12.526 2.114 1.00 2.58 H new ATOM 644 N MET A 500 0.918 -7.959 -2.586 1.00 0.54 N ATOM 645 CA MET A 500 1.685 -7.695 -3.780 1.00 0.63 C ATOM 646 C MET A 500 2.947 -6.899 -3.465 1.00 0.57 C ATOM 647 O MET A 500 4.057 -7.355 -3.713 1.00 0.58 O ATOM 648 CB MET A 500 0.840 -6.953 -4.816 1.00 0.80 C ATOM 649 CG MET A 500 1.572 -6.696 -6.120 1.00 1.26 C ATOM 650 SD MET A 500 2.073 -8.217 -6.949 1.00 1.91 S ATOM 651 CE MET A 500 2.873 -7.558 -8.410 1.00 2.52 C ATOM 0 H MET A 500 -0.018 -7.553 -2.593 1.00 0.54 H new ATOM 0 HA MET A 500 1.984 -8.657 -4.196 1.00 0.63 H new ATOM 0 HB2 MET A 500 -0.060 -7.532 -5.022 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.517 -6.001 -4.396 1.00 0.80 H new ATOM 0 HG2 MET A 500 0.929 -6.119 -6.785 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.454 -6.087 -5.923 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.453 -8.030 -9.299 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.710 -6.481 -8.460 1.00 2.52 H new ATOM 0 HE3 MET A 500 3.943 -7.761 -8.362 1.00 2.52 H new ATOM 661 N LEU A 501 2.785 -5.720 -2.895 1.00 0.59 N ATOM 662 CA LEU A 501 3.930 -4.861 -2.654 1.00 0.65 C ATOM 663 C LEU A 501 4.820 -5.386 -1.533 1.00 0.56 C ATOM 664 O LEU A 501 6.022 -5.123 -1.528 1.00 0.62 O ATOM 665 CB LEU A 501 3.496 -3.418 -2.392 1.00 0.85 C ATOM 666 CG LEU A 501 2.392 -3.216 -1.343 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.951 -3.260 0.070 1.00 2.09 C ATOM 668 CD2 LEU A 501 1.675 -1.903 -1.590 1.00 1.91 C ATOM 0 H LEU A 501 1.888 -5.339 -2.594 1.00 0.59 H new ATOM 0 HA LEU A 501 4.530 -4.870 -3.564 1.00 0.65 H new ATOM 0 HB2 LEU A 501 4.372 -2.849 -2.080 1.00 0.85 H new ATOM 0 HB3 LEU A 501 3.155 -2.987 -3.334 1.00 0.85 H new ATOM 0 HG LEU A 501 1.680 -4.035 -1.440 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.142 -3.114 0.786 1.00 2.09 H new ATOM 0 HD12 LEU A 501 3.420 -4.228 0.246 1.00 2.09 H new ATOM 0 HD13 LEU A 501 3.692 -2.470 0.193 1.00 2.09 H new ATOM 0 HD21 LEU A 501 0.894 -1.768 -0.842 1.00 1.91 H new ATOM 0 HD22 LEU A 501 2.388 -1.081 -1.523 1.00 1.91 H new ATOM 0 HD23 LEU A 501 1.227 -1.914 -2.584 1.00 1.91 H new ATOM 680 N VAL A 502 4.257 -6.141 -0.591 1.00 0.53 N ATOM 681 CA VAL A 502 5.078 -6.697 0.474 1.00 0.64 C ATOM 682 C VAL A 502 5.936 -7.851 -0.056 1.00 0.61 C ATOM 683 O VAL A 502 7.079 -8.020 0.365 1.00 0.73 O ATOM 684 CB VAL A 502 4.248 -7.136 1.709 1.00 0.86 C ATOM 685 CG1 VAL A 502 3.350 -8.320 1.407 1.00 1.11 C ATOM 686 CG2 VAL A 502 5.162 -7.443 2.887 1.00 1.02 C ATOM 0 H VAL A 502 3.265 -6.375 -0.545 1.00 0.53 H new ATOM 0 HA VAL A 502 5.736 -5.899 0.818 1.00 0.64 H new ATOM 0 HB VAL A 502 3.599 -6.301 1.973 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.790 -8.590 2.302 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.655 -8.056 0.610 1.00 1.11 H new ATOM 0 HG13 VAL A 502 3.959 -9.167 1.091 1.00 1.11 H new ATOM 0 HG21 VAL A 502 4.561 -7.749 3.743 1.00 1.02 H new ATOM 0 HG22 VAL A 502 5.846 -8.248 2.617 1.00 1.02 H new ATOM 0 HG23 VAL A 502 5.734 -6.552 3.145 1.00 1.02 H new ATOM 696 N LYS A 503 5.403 -8.616 -1.014 1.00 0.58 N ATOM 697 CA LYS A 503 6.179 -9.681 -1.648 1.00 0.71 C ATOM 698 C LYS A 503 7.169 -9.077 -2.644 1.00 0.69 C ATOM 699 O LYS A 503 8.201 -9.676 -2.946 1.00 0.84 O ATOM 700 CB LYS A 503 5.261 -10.702 -2.348 1.00 0.88 C ATOM 701 CG LYS A 503 4.604 -10.172 -3.616 1.00 1.35 C ATOM 702 CD LYS A 503 3.445 -11.039 -4.090 1.00 1.44 C ATOM 703 CE LYS A 503 3.919 -12.346 -4.708 1.00 2.04 C ATOM 704 NZ LYS A 503 2.790 -13.114 -5.301 1.00 2.54 N ATOM 0 H LYS A 503 4.449 -8.518 -1.363 1.00 0.58 H new ATOM 0 HA LYS A 503 6.731 -10.213 -0.873 1.00 0.71 H new ATOM 0 HB2 LYS A 503 5.843 -11.590 -2.596 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.484 -11.015 -1.651 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.244 -9.159 -3.436 1.00 1.35 H new ATOM 0 HG3 LYS A 503 5.351 -10.109 -4.407 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.787 -11.255 -3.248 1.00 1.44 H new ATOM 0 HD3 LYS A 503 2.856 -10.486 -4.821 1.00 1.44 H new ATOM 0 HE2 LYS A 503 4.661 -12.137 -5.478 1.00 2.04 H new ATOM 0 HE3 LYS A 503 4.411 -12.951 -3.947 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 3.150 -13.998 -5.713 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 2.094 -13.335 -4.561 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 2.336 -12.546 -6.044 1.00 2.54 H new ATOM 718 N ILE A 504 6.843 -7.887 -3.151 1.00 0.62 N ATOM 719 CA ILE A 504 7.741 -7.160 -4.042 1.00 0.73 C ATOM 720 C ILE A 504 8.962 -6.637 -3.287 1.00 0.73 C ATOM 721 O ILE A 504 10.100 -6.850 -3.703 1.00 0.85 O ATOM 722 CB ILE A 504 7.027 -5.979 -4.746 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.012 -6.501 -5.768 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.035 -5.063 -5.428 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.227 -5.406 -6.458 1.00 1.75 C ATOM 0 H ILE A 504 5.963 -7.408 -2.958 1.00 0.62 H new ATOM 0 HA ILE A 504 8.065 -7.870 -4.803 1.00 0.73 H new ATOM 0 HB ILE A 504 6.498 -5.402 -3.987 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.537 -7.089 -6.521 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.317 -7.173 -5.266 1.00 1.30 H new ATOM 0 HG21 ILE A 504 7.509 -4.242 -5.915 1.00 1.34 H new ATOM 0 HG22 ILE A 504 8.724 -4.662 -4.684 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.594 -5.628 -6.173 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.529 -5.851 -7.167 1.00 1.75 H new ATOM 0 HD12 ILE A 504 4.674 -4.832 -5.715 1.00 1.75 H new ATOM 0 HD13 ILE A 504 5.913 -4.746 -6.989 1.00 1.75 H new ATOM 737 N ILE A 505 8.724 -5.963 -2.174 1.00 0.71 N ATOM 738 CA ILE A 505 9.799 -5.318 -1.434 1.00 0.85 C ATOM 739 C ILE A 505 10.570 -6.312 -0.572 1.00 0.97 C ATOM 740 O ILE A 505 11.795 -6.228 -0.457 1.00 1.20 O ATOM 741 CB ILE A 505 9.258 -4.170 -0.555 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.551 -3.132 -1.426 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.381 -3.516 0.239 1.00 1.83 C ATOM 744 CD1 ILE A 505 9.421 -2.569 -2.530 1.00 2.19 C ATOM 745 OXT ILE A 505 9.909 -7.196 0.020 1.00 1.58 O ATOM 0 H ILE A 505 7.798 -5.848 -1.763 1.00 0.71 H new ATOM 0 HA ILE A 505 10.486 -4.904 -2.172 1.00 0.85 H new ATOM 0 HB ILE A 505 8.542 -4.588 0.153 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.665 -3.586 -1.870 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.207 -2.314 -0.794 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.973 -2.711 0.850 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.851 -4.259 0.884 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.124 -3.110 -0.448 1.00 1.83 H new ATOM 0 HD11 ILE A 505 8.852 -1.839 -3.106 1.00 2.19 H new ATOM 0 HD12 ILE A 505 10.295 -2.085 -2.094 1.00 2.19 H new ATOM 0 HD13 ILE A 505 9.744 -3.377 -3.187 1.00 2.19 H new TER 757 ILE A 505