USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=13 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 Set 1.1: A 469 LYS NZ :NH3+ -119:sc=-0.00359 (180deg=-0.155) USER MOD Set 1.2: A 482 MET CE :methyl -118:sc= -0.634 (180deg=-2.69!) USER MOD Single : A 462 SER OG : rot 28:sc= 0.354 USER MOD Single : A 466 SER OG : rot 86:sc= 1.05 USER MOD Single : A 470 SER OG : rot 7:sc= 1.17 USER MOD Single : A 471 SER OG : rot 6:sc= -0.796! USER MOD Single : A 478 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.13) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 489 LYS NZ :NH3+ -124:sc= 0.0106 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= -0.0295 X(o=-0.029,f=0) USER MOD Single : A 496 LYS NZ :NH3+ 169:sc= -0.01 (180deg=-0.131) USER MOD Single : A 498 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.85) USER MOD Single : A 499 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 500 MET CE :methyl -168:sc= -0.035 (180deg=-0.296) USER MOD Single : A 503 LYS NZ :NH3+ -167:sc= -0.104 (180deg=-0.404) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.869 0.434 6.520 1.00 1.77 N ATOM 2 CA SER A 462 -5.793 0.565 7.490 1.00 1.60 C ATOM 3 C SER A 462 -4.633 -0.388 7.235 1.00 1.25 C ATOM 4 O SER A 462 -3.487 -0.028 7.481 1.00 1.09 O ATOM 5 CB SER A 462 -6.358 0.329 8.888 1.00 1.97 C ATOM 6 OG SER A 462 -7.582 1.023 9.048 1.00 2.70 O ATOM 0 HA SER A 462 -5.390 1.573 7.395 1.00 1.60 H new ATOM 0 HB2 SER A 462 -6.513 -0.738 9.049 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.642 0.664 9.638 1.00 1.97 H new ATOM 0 HG SER A 462 -8.016 1.126 8.175 1.00 2.70 H new ATOM 14 N VAL A 463 -4.927 -1.587 6.735 1.00 1.25 N ATOM 15 CA VAL A 463 -3.900 -2.609 6.551 1.00 1.07 C ATOM 16 C VAL A 463 -2.745 -2.076 5.705 1.00 0.89 C ATOM 17 O VAL A 463 -1.678 -1.752 6.224 1.00 0.76 O ATOM 18 CB VAL A 463 -4.462 -3.896 5.896 1.00 1.28 C ATOM 19 CG1 VAL A 463 -3.408 -4.995 5.880 1.00 1.28 C ATOM 20 CG2 VAL A 463 -5.713 -4.365 6.622 1.00 1.50 C ATOM 0 H VAL A 463 -5.864 -1.873 6.451 1.00 1.25 H new ATOM 0 HA VAL A 463 -3.537 -2.864 7.547 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.731 -3.665 4.865 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -3.823 -5.890 5.416 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.541 -4.660 5.311 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -3.105 -5.223 6.902 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -6.092 -5.270 6.147 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -5.471 -4.576 7.664 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -6.474 -3.586 6.577 1.00 1.50 H new ATOM 30 N ILE A 464 -2.979 -1.934 4.412 1.00 1.02 N ATOM 31 CA ILE A 464 -1.921 -1.522 3.503 1.00 1.02 C ATOM 32 C ILE A 464 -1.616 -0.037 3.648 1.00 0.88 C ATOM 33 O ILE A 464 -0.467 0.379 3.495 1.00 0.84 O ATOM 34 CB ILE A 464 -2.270 -1.851 2.035 1.00 1.35 C ATOM 35 CG1 ILE A 464 -2.530 -3.349 1.883 1.00 1.81 C ATOM 36 CG2 ILE A 464 -1.156 -1.411 1.092 1.00 1.96 C ATOM 37 CD1 ILE A 464 -1.370 -4.215 2.324 1.00 2.72 C ATOM 0 H ILE A 464 -3.884 -2.096 3.970 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.030 -2.088 3.775 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.173 -1.302 1.768 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -3.413 -3.616 2.464 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -2.757 -3.565 0.839 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -1.430 -1.656 0.066 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -1.008 -0.335 1.181 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -0.233 -1.927 1.354 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -1.627 -5.265 2.187 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -0.490 -3.976 1.727 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -1.156 -4.028 3.376 1.00 2.72 H new ATOM 49 N ARG A 465 -2.630 0.760 3.979 1.00 0.94 N ATOM 50 CA ARG A 465 -2.440 2.200 4.097 1.00 0.95 C ATOM 51 C ARG A 465 -1.438 2.514 5.214 1.00 0.83 C ATOM 52 O ARG A 465 -0.610 3.421 5.084 1.00 0.90 O ATOM 53 CB ARG A 465 -3.784 2.899 4.339 1.00 1.18 C ATOM 54 CG ARG A 465 -3.781 4.378 3.984 1.00 1.57 C ATOM 55 CD ARG A 465 -3.217 5.234 5.102 1.00 1.81 C ATOM 56 NE ARG A 465 -4.197 5.464 6.160 1.00 2.13 N ATOM 57 CZ ARG A 465 -3.909 5.475 7.459 1.00 2.61 C ATOM 58 NH1 ARG A 465 -2.680 5.197 7.873 1.00 2.88 N ATOM 59 NH2 ARG A 465 -4.859 5.764 8.340 1.00 3.37 N ATOM 0 H ARG A 465 -3.579 0.437 4.168 1.00 0.94 H new ATOM 0 HA ARG A 465 -2.030 2.581 3.161 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.554 2.396 3.754 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -4.057 2.788 5.388 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -3.193 4.532 3.079 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -4.799 4.699 3.761 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -2.337 4.748 5.522 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -2.890 6.191 4.696 1.00 1.81 H new ATOM 0 HE ARG A 465 -5.166 5.627 5.885 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -1.952 4.974 7.195 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -2.463 5.206 8.870 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.804 5.976 8.020 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.644 5.774 9.337 1.00 3.37 H new ATOM 73 N SER A 466 -1.492 1.750 6.297 1.00 0.80 N ATOM 74 CA SER A 466 -0.541 1.930 7.384 1.00 0.87 C ATOM 75 C SER A 466 0.781 1.238 7.062 1.00 0.85 C ATOM 76 O SER A 466 1.853 1.758 7.386 1.00 1.03 O ATOM 77 CB SER A 466 -1.117 1.400 8.696 1.00 0.96 C ATOM 78 OG SER A 466 -2.390 1.970 8.948 1.00 1.63 O ATOM 0 H SER A 466 -2.176 1.008 6.445 1.00 0.80 H new ATOM 0 HA SER A 466 -0.351 2.997 7.498 1.00 0.87 H new ATOM 0 HB2 SER A 466 -1.201 0.314 8.650 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.439 1.633 9.517 1.00 0.96 H new ATOM 0 HG SER A 466 -3.080 1.441 8.496 1.00 1.63 H new ATOM 84 N ILE A 467 0.704 0.073 6.413 1.00 0.78 N ATOM 85 CA ILE A 467 1.908 -0.663 6.028 1.00 0.91 C ATOM 86 C ILE A 467 2.838 0.198 5.176 1.00 0.96 C ATOM 87 O ILE A 467 4.013 0.365 5.519 1.00 1.18 O ATOM 88 CB ILE A 467 1.579 -1.977 5.275 1.00 1.02 C ATOM 89 CG1 ILE A 467 0.992 -3.006 6.245 1.00 1.14 C ATOM 90 CG2 ILE A 467 2.822 -2.540 4.589 1.00 1.24 C ATOM 91 CD1 ILE A 467 0.619 -4.320 5.591 1.00 1.59 C ATOM 0 H ILE A 467 -0.172 -0.376 6.146 1.00 0.78 H new ATOM 0 HA ILE A 467 2.415 -0.924 6.957 1.00 0.91 H new ATOM 0 HB ILE A 467 0.840 -1.755 4.505 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.715 -3.198 7.038 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.106 -2.582 6.718 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.564 -3.462 4.068 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.203 -1.813 3.872 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.587 -2.748 5.337 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.211 -4.997 6.341 1.00 1.59 H new ATOM 0 HD12 ILE A 467 -0.128 -4.142 4.818 1.00 1.59 H new ATOM 0 HD13 ILE A 467 1.506 -4.768 5.143 1.00 1.59 H new ATOM 103 N ILE A 468 2.319 0.769 4.085 1.00 0.87 N ATOM 104 CA ILE A 468 3.164 1.562 3.203 1.00 0.99 C ATOM 105 C ILE A 468 3.791 2.727 3.956 1.00 1.08 C ATOM 106 O ILE A 468 4.987 2.976 3.815 1.00 1.27 O ATOM 107 CB ILE A 468 2.452 2.043 1.902 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.103 2.732 2.156 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.255 0.871 0.957 1.00 1.34 C ATOM 110 CD1 ILE A 468 1.196 4.182 2.574 1.00 1.65 C ATOM 0 H ILE A 468 1.342 0.697 3.800 1.00 0.87 H new ATOM 0 HA ILE A 468 3.955 0.892 2.866 1.00 0.99 H new ATOM 0 HB ILE A 468 3.106 2.792 1.455 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.503 2.669 1.248 1.00 0.80 H new ATOM 0 HG13 ILE A 468 0.570 2.180 2.930 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.757 1.214 0.050 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.224 0.444 0.699 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.642 0.111 1.442 1.00 1.34 H new ATOM 0 HD11 ILE A 468 0.194 4.581 2.730 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.765 4.258 3.501 1.00 1.65 H new ATOM 0 HD13 ILE A 468 1.697 4.754 1.793 1.00 1.65 H new ATOM 122 N LYS A 469 3.008 3.391 4.805 1.00 1.04 N ATOM 123 CA LYS A 469 3.522 4.494 5.608 1.00 1.27 C ATOM 124 C LYS A 469 4.720 4.051 6.433 1.00 1.47 C ATOM 125 O LYS A 469 5.753 4.717 6.444 1.00 1.68 O ATOM 126 CB LYS A 469 2.436 5.058 6.526 1.00 1.35 C ATOM 127 CG LYS A 469 1.661 6.213 5.914 1.00 1.75 C ATOM 128 CD LYS A 469 2.587 7.375 5.578 1.00 1.96 C ATOM 129 CE LYS A 469 1.814 8.600 5.119 1.00 2.66 C ATOM 130 NZ LYS A 469 1.019 9.203 6.219 1.00 2.97 N ATOM 0 H LYS A 469 2.020 3.184 4.953 1.00 1.04 H new ATOM 0 HA LYS A 469 3.840 5.280 4.923 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.739 4.260 6.784 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.896 5.392 7.456 1.00 1.35 H new ATOM 0 HG2 LYS A 469 1.152 5.876 5.011 1.00 1.75 H new ATOM 0 HG3 LYS A 469 0.890 6.547 6.609 1.00 1.75 H new ATOM 0 HD2 LYS A 469 3.183 7.629 6.454 1.00 1.96 H new ATOM 0 HD3 LYS A 469 3.283 7.071 4.796 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.510 9.341 4.727 1.00 2.66 H new ATOM 0 HE3 LYS A 469 1.149 8.323 4.301 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.009 9.181 5.970 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.172 8.663 7.094 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.318 10.188 6.364 1.00 2.97 H new ATOM 144 N SER A 470 4.588 2.907 7.091 1.00 1.46 N ATOM 145 CA SER A 470 5.653 2.396 7.936 1.00 1.71 C ATOM 146 C SER A 470 6.813 1.833 7.111 1.00 1.82 C ATOM 147 O SER A 470 7.924 1.682 7.626 1.00 2.10 O ATOM 148 CB SER A 470 5.106 1.336 8.898 1.00 1.74 C ATOM 149 OG SER A 470 4.401 0.318 8.206 1.00 2.10 O ATOM 0 H SER A 470 3.756 2.318 7.055 1.00 1.46 H new ATOM 0 HA SER A 470 6.045 3.231 8.517 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.929 0.893 9.459 1.00 1.74 H new ATOM 0 HB3 SER A 470 4.444 1.809 9.624 1.00 1.74 H new ATOM 0 HG SER A 470 4.511 0.443 7.240 1.00 2.10 H new ATOM 155 N SER A 471 6.578 1.531 5.835 1.00 1.68 N ATOM 156 CA SER A 471 7.636 0.979 5.002 1.00 1.90 C ATOM 157 C SER A 471 8.368 2.088 4.242 1.00 1.57 C ATOM 158 O SER A 471 7.869 2.625 3.254 1.00 1.83 O ATOM 159 CB SER A 471 7.078 -0.074 4.040 1.00 2.65 C ATOM 160 OG SER A 471 5.983 0.430 3.299 1.00 3.40 O ATOM 0 H SER A 471 5.681 1.657 5.366 1.00 1.68 H new ATOM 0 HA SER A 471 8.359 0.488 5.653 1.00 1.90 H new ATOM 0 HB2 SER A 471 7.863 -0.397 3.357 1.00 2.65 H new ATOM 0 HB3 SER A 471 6.764 -0.953 4.603 1.00 2.65 H new ATOM 0 HG SER A 471 5.866 1.383 3.496 1.00 3.40 H new ATOM 166 N ARG A 472 9.561 2.417 4.716 1.00 1.77 N ATOM 167 CA ARG A 472 10.365 3.483 4.128 1.00 1.99 C ATOM 168 C ARG A 472 11.257 2.957 3.005 1.00 1.90 C ATOM 169 O ARG A 472 12.443 3.285 2.940 1.00 2.38 O ATOM 170 CB ARG A 472 11.233 4.129 5.206 1.00 2.75 C ATOM 171 CG ARG A 472 10.490 5.087 6.120 1.00 3.26 C ATOM 172 CD ARG A 472 11.172 5.195 7.474 1.00 3.92 C ATOM 173 NE ARG A 472 10.838 4.056 8.331 1.00 4.22 N ATOM 174 CZ ARG A 472 11.688 3.090 8.679 1.00 4.90 C ATOM 175 NH1 ARG A 472 12.950 3.120 8.271 1.00 5.31 N ATOM 176 NH2 ARG A 472 11.272 2.091 9.448 1.00 5.50 N ATOM 0 H ARG A 472 9.998 1.957 5.514 1.00 1.77 H new ATOM 0 HA ARG A 472 9.684 4.222 3.705 1.00 1.99 H new ATOM 0 HB2 ARG A 472 11.683 3.343 5.812 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.050 4.666 4.724 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.440 6.072 5.656 1.00 3.26 H new ATOM 0 HG3 ARG A 472 9.464 4.745 6.253 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.252 5.245 7.336 1.00 3.92 H new ATOM 0 HD3 ARG A 472 10.870 6.121 7.963 1.00 3.92 H new ATOM 0 HE ARG A 472 9.884 3.997 8.688 1.00 4.22 H new ATOM 0 HH11 ARG A 472 13.278 3.888 7.685 1.00 5.31 H new ATOM 0 HH12 ARG A 472 13.592 2.376 8.543 1.00 5.31 H new ATOM 0 HH21 ARG A 472 10.305 2.064 9.771 1.00 5.50 H new ATOM 0 HH22 ARG A 472 11.920 1.350 9.716 1.00 5.50 H new ATOM 190 N LEU A 473 10.697 2.139 2.126 1.00 1.57 N ATOM 191 CA LEU A 473 11.461 1.623 0.997 1.00 1.68 C ATOM 192 C LEU A 473 11.412 2.618 -0.158 1.00 1.46 C ATOM 193 O LEU A 473 12.409 2.845 -0.841 1.00 2.00 O ATOM 194 CB LEU A 473 10.966 0.230 0.550 1.00 2.11 C ATOM 195 CG LEU A 473 9.600 0.165 -0.152 1.00 1.80 C ATOM 196 CD1 LEU A 473 9.401 -1.203 -0.785 1.00 2.32 C ATOM 197 CD2 LEU A 473 8.463 0.454 0.816 1.00 2.17 C ATOM 0 H LEU A 473 9.729 1.821 2.170 1.00 1.57 H new ATOM 0 HA LEU A 473 12.495 1.500 1.318 1.00 1.68 H new ATOM 0 HB2 LEU A 473 11.712 -0.195 -0.122 1.00 2.11 H new ATOM 0 HB3 LEU A 473 10.926 -0.413 1.429 1.00 2.11 H new ATOM 0 HG LEU A 473 9.588 0.930 -0.928 1.00 1.80 H new ATOM 0 HD11 LEU A 473 8.430 -1.237 -1.279 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.188 -1.383 -1.518 1.00 2.32 H new ATOM 0 HD13 LEU A 473 9.442 -1.971 -0.012 1.00 2.32 H new ATOM 0 HD21 LEU A 473 7.512 0.400 0.287 1.00 2.17 H new ATOM 0 HD22 LEU A 473 8.473 -0.282 1.620 1.00 2.17 H new ATOM 0 HD23 LEU A 473 8.588 1.452 1.236 1.00 2.17 H new ATOM 209 N GLU A 474 10.246 3.214 -0.361 1.00 1.28 N ATOM 210 CA GLU A 474 10.067 4.249 -1.354 1.00 1.36 C ATOM 211 C GLU A 474 8.965 5.212 -0.927 1.00 1.06 C ATOM 212 O GLU A 474 7.779 4.861 -0.871 1.00 1.14 O ATOM 213 CB GLU A 474 9.772 3.621 -2.707 1.00 1.92 C ATOM 214 CG GLU A 474 8.937 2.355 -2.638 1.00 2.48 C ATOM 215 CD GLU A 474 8.990 1.566 -3.927 1.00 3.00 C ATOM 216 OE1 GLU A 474 9.951 1.744 -4.700 1.00 3.47 O ATOM 217 OE2 GLU A 474 8.058 0.774 -4.181 1.00 3.36 O ATOM 0 H GLU A 474 9.400 2.989 0.162 1.00 1.28 H new ATOM 0 HA GLU A 474 10.987 4.826 -1.444 1.00 1.36 H new ATOM 0 HB2 GLU A 474 9.253 4.351 -3.328 1.00 1.92 H new ATOM 0 HB3 GLU A 474 10.716 3.394 -3.203 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.292 1.732 -1.817 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.902 2.616 -2.416 1.00 2.48 H new ATOM 224 N GLU A 475 9.388 6.434 -0.622 1.00 0.94 N ATOM 225 CA GLU A 475 8.526 7.456 -0.042 1.00 0.84 C ATOM 226 C GLU A 475 7.390 7.855 -0.973 1.00 0.73 C ATOM 227 O GLU A 475 6.230 7.890 -0.563 1.00 0.73 O ATOM 228 CB GLU A 475 9.360 8.685 0.321 1.00 1.20 C ATOM 229 CG GLU A 475 10.304 8.454 1.488 1.00 1.66 C ATOM 230 CD GLU A 475 9.560 8.222 2.784 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.008 9.200 3.335 1.00 2.49 O ATOM 232 OE2 GLU A 475 9.504 7.064 3.252 1.00 2.79 O ATOM 0 H GLU A 475 10.348 6.745 -0.772 1.00 0.94 H new ATOM 0 HA GLU A 475 8.073 7.033 0.854 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.940 8.991 -0.550 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.690 9.510 0.564 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.938 7.594 1.276 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.962 9.316 1.598 1.00 1.66 H new ATOM 239 N ASP A 476 7.713 8.159 -2.222 1.00 0.88 N ATOM 240 CA ASP A 476 6.700 8.630 -3.158 1.00 0.98 C ATOM 241 C ASP A 476 5.686 7.534 -3.456 1.00 0.85 C ATOM 242 O ASP A 476 4.515 7.821 -3.676 1.00 0.84 O ATOM 243 CB ASP A 476 7.318 9.144 -4.459 1.00 1.36 C ATOM 244 CG ASP A 476 7.788 8.041 -5.384 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.554 7.158 -4.939 1.00 2.43 O ATOM 246 OD2 ASP A 476 7.378 8.049 -6.558 1.00 2.63 O ATOM 0 H ASP A 476 8.655 8.090 -2.608 1.00 0.88 H new ATOM 0 HA ASP A 476 6.188 9.465 -2.680 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.585 9.758 -4.982 1.00 1.36 H new ATOM 0 HB3 ASP A 476 8.162 9.791 -4.220 1.00 1.36 H new ATOM 251 N ARG A 477 6.139 6.283 -3.468 1.00 0.89 N ATOM 252 CA ARG A 477 5.238 5.152 -3.614 1.00 0.96 C ATOM 253 C ARG A 477 4.185 5.151 -2.518 1.00 0.80 C ATOM 254 O ARG A 477 2.993 5.142 -2.802 1.00 0.85 O ATOM 255 CB ARG A 477 6.007 3.835 -3.567 1.00 1.23 C ATOM 256 CG ARG A 477 5.821 2.969 -4.800 1.00 1.57 C ATOM 257 CD ARG A 477 6.762 3.379 -5.920 1.00 1.89 C ATOM 258 NE ARG A 477 6.559 4.756 -6.359 1.00 1.95 N ATOM 259 CZ ARG A 477 6.115 5.077 -7.579 1.00 2.54 C ATOM 260 NH1 ARG A 477 5.776 4.123 -8.441 1.00 2.96 N ATOM 261 NH2 ARG A 477 6.021 6.346 -7.942 1.00 2.98 N ATOM 0 H ARG A 477 7.123 6.031 -3.378 1.00 0.89 H new ATOM 0 HA ARG A 477 4.748 5.249 -4.583 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.068 4.050 -3.443 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.691 3.272 -2.689 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.996 1.925 -4.541 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.790 3.043 -5.145 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.792 3.258 -5.584 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.623 2.709 -6.768 1.00 1.89 H new ATOM 0 HE ARG A 477 6.766 5.510 -5.704 1.00 1.95 H new ATOM 0 HH11 ARG A 477 5.854 3.142 -8.173 1.00 2.96 H new ATOM 0 HH12 ARG A 477 5.438 4.372 -9.370 1.00 2.96 H new ATOM 0 HH21 ARG A 477 6.288 7.084 -7.290 1.00 2.98 H new ATOM 0 HH22 ARG A 477 5.682 6.586 -8.873 1.00 2.98 H new ATOM 275 N LYS A 478 4.626 5.177 -1.268 1.00 0.77 N ATOM 276 CA LYS A 478 3.703 5.107 -0.141 1.00 0.90 C ATOM 277 C LYS A 478 2.779 6.326 -0.123 1.00 0.74 C ATOM 278 O LYS A 478 1.602 6.221 0.204 1.00 0.80 O ATOM 279 CB LYS A 478 4.471 4.966 1.181 1.00 1.21 C ATOM 280 CG LYS A 478 5.024 6.261 1.763 1.00 1.27 C ATOM 281 CD LYS A 478 5.913 5.984 2.969 1.00 1.66 C ATOM 282 CE LYS A 478 6.278 7.260 3.710 1.00 1.97 C ATOM 283 NZ LYS A 478 7.302 7.020 4.767 1.00 2.30 N ATOM 0 H LYS A 478 5.610 5.246 -1.008 1.00 0.77 H new ATOM 0 HA LYS A 478 3.080 4.220 -0.259 1.00 0.90 H new ATOM 0 HB2 LYS A 478 3.809 4.511 1.918 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.300 4.275 1.027 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.595 6.792 1.001 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.201 6.913 2.056 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.401 5.303 3.649 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.823 5.482 2.641 1.00 1.66 H new ATOM 0 HE2 LYS A 478 6.656 7.996 3.000 1.00 1.97 H new ATOM 0 HE3 LYS A 478 5.382 7.685 4.163 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.386 7.865 5.367 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 7.015 6.208 5.350 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.220 6.819 4.322 1.00 2.30 H new ATOM 297 N ARG A 479 3.321 7.472 -0.499 1.00 0.71 N ATOM 298 CA ARG A 479 2.535 8.698 -0.619 1.00 0.86 C ATOM 299 C ARG A 479 1.477 8.572 -1.713 1.00 0.80 C ATOM 300 O ARG A 479 0.294 8.849 -1.493 1.00 0.90 O ATOM 301 CB ARG A 479 3.452 9.883 -0.919 1.00 1.09 C ATOM 302 CG ARG A 479 4.237 10.370 0.286 1.00 1.22 C ATOM 303 CD ARG A 479 3.321 11.016 1.309 1.00 1.88 C ATOM 304 NE ARG A 479 2.565 12.132 0.739 1.00 2.47 N ATOM 305 CZ ARG A 479 1.305 12.419 1.065 1.00 3.27 C ATOM 306 NH1 ARG A 479 0.673 11.691 1.979 1.00 3.65 N ATOM 307 NH2 ARG A 479 0.677 13.427 0.475 1.00 4.14 N ATOM 0 H ARG A 479 4.309 7.584 -0.729 1.00 0.71 H new ATOM 0 HA ARG A 479 2.026 8.865 0.330 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.151 9.600 -1.706 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.852 10.706 -1.307 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.765 9.533 0.743 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.993 11.087 -0.034 1.00 1.22 H new ATOM 0 HD2 ARG A 479 2.628 10.270 1.698 1.00 1.88 H new ATOM 0 HD3 ARG A 479 3.913 11.372 2.152 1.00 1.88 H new ATOM 0 HE ARG A 479 3.030 12.725 0.052 1.00 2.47 H new ATOM 0 HH11 ARG A 479 1.152 10.912 2.431 1.00 3.65 H new ATOM 0 HH12 ARG A 479 -0.291 11.911 2.228 1.00 3.65 H new ATOM 0 HH21 ARG A 479 1.158 13.985 -0.230 1.00 4.14 H new ATOM 0 HH22 ARG A 479 -0.287 13.644 0.726 1.00 4.14 H new ATOM 321 N TYR A 480 1.917 8.148 -2.887 1.00 0.83 N ATOM 322 CA TYR A 480 1.043 7.990 -4.041 1.00 1.03 C ATOM 323 C TYR A 480 -0.033 6.938 -3.767 1.00 0.82 C ATOM 324 O TYR A 480 -1.234 7.188 -3.928 1.00 0.82 O ATOM 325 CB TYR A 480 1.889 7.596 -5.257 1.00 1.44 C ATOM 326 CG TYR A 480 1.111 7.348 -6.529 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.244 8.305 -7.041 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.258 6.155 -7.224 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.457 8.076 -8.209 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.562 5.920 -8.391 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.294 6.881 -8.879 1.00 2.55 C ATOM 332 OH TYR A 480 -0.992 6.645 -10.040 1.00 2.93 O ATOM 0 H TYR A 480 2.891 7.903 -3.068 1.00 0.83 H new ATOM 0 HA TYR A 480 0.537 8.934 -4.242 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.618 8.385 -5.444 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.451 6.695 -5.012 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.116 9.241 -6.518 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.929 5.398 -6.844 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.129 8.828 -8.596 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.688 4.987 -8.919 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.762 5.757 -10.386 1.00 2.93 H new ATOM 342 N LEU A 481 0.408 5.771 -3.318 1.00 0.91 N ATOM 343 CA LEU A 481 -0.488 4.657 -3.059 1.00 1.15 C ATOM 344 C LEU A 481 -1.470 4.969 -1.937 1.00 1.03 C ATOM 345 O LEU A 481 -2.606 4.544 -1.992 1.00 1.19 O ATOM 346 CB LEU A 481 0.296 3.380 -2.735 1.00 1.66 C ATOM 347 CG LEU A 481 0.673 2.513 -3.944 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.574 2.111 -4.715 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.655 3.236 -4.857 1.00 2.73 C ATOM 0 H LEU A 481 1.390 5.572 -3.125 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.061 4.493 -3.971 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.210 3.659 -2.210 1.00 1.66 H new ATOM 0 HB3 LEU A 481 -0.295 2.776 -2.047 1.00 1.66 H new ATOM 0 HG LEU A 481 1.163 1.612 -3.574 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -0.291 1.496 -5.570 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.237 1.543 -4.063 1.00 2.68 H new ATOM 0 HD13 LEU A 481 -1.089 3.005 -5.066 1.00 2.68 H new ATOM 0 HD21 LEU A 481 1.903 2.596 -5.704 1.00 2.73 H new ATOM 0 HD22 LEU A 481 1.203 4.159 -5.219 1.00 2.73 H new ATOM 0 HD23 LEU A 481 2.563 3.471 -4.302 1.00 2.73 H new ATOM 361 N MET A 482 -1.043 5.719 -0.930 1.00 1.05 N ATOM 362 CA MET A 482 -1.944 6.109 0.157 1.00 1.49 C ATOM 363 C MET A 482 -3.051 7.010 -0.363 1.00 1.39 C ATOM 364 O MET A 482 -4.210 6.875 0.034 1.00 1.65 O ATOM 365 CB MET A 482 -1.178 6.825 1.270 1.00 2.05 C ATOM 366 CG MET A 482 -2.068 7.352 2.382 1.00 3.10 C ATOM 367 SD MET A 482 -1.148 8.275 3.627 1.00 4.00 S ATOM 368 CE MET A 482 -2.472 8.770 4.727 1.00 4.93 C ATOM 0 H MET A 482 -0.089 6.069 -0.839 1.00 1.05 H new ATOM 0 HA MET A 482 -2.387 5.200 0.565 1.00 1.49 H new ATOM 0 HB2 MET A 482 -0.447 6.138 1.696 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.620 7.656 0.839 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.837 7.995 1.953 1.00 3.10 H new ATOM 0 HG3 MET A 482 -2.580 6.517 2.859 1.00 3.10 H new ATOM 0 HE1 MET A 482 -2.536 9.858 4.753 1.00 4.93 H new ATOM 0 HE2 MET A 482 -3.416 8.359 4.368 1.00 4.93 H new ATOM 0 HE3 MET A 482 -2.271 8.395 5.730 1.00 4.93 H new ATOM 378 N THR A 483 -2.691 7.923 -1.249 1.00 1.25 N ATOM 379 CA THR A 483 -3.659 8.830 -1.833 1.00 1.59 C ATOM 380 C THR A 483 -4.660 8.057 -2.688 1.00 1.32 C ATOM 381 O THR A 483 -5.850 8.383 -2.728 1.00 1.59 O ATOM 382 CB THR A 483 -2.954 9.915 -2.671 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.914 10.523 -1.887 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.938 10.985 -3.124 1.00 2.46 C ATOM 0 H THR A 483 -1.735 8.054 -1.579 1.00 1.25 H new ATOM 0 HA THR A 483 -4.200 9.324 -1.026 1.00 1.59 H new ATOM 0 HB THR A 483 -2.529 9.443 -3.557 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.152 9.910 -1.822 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.412 11.737 -3.713 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.718 10.528 -3.732 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.389 11.458 -2.251 1.00 2.46 H new ATOM 392 N LEU A 484 -4.172 7.012 -3.342 1.00 0.92 N ATOM 393 CA LEU A 484 -5.024 6.140 -4.143 1.00 0.90 C ATOM 394 C LEU A 484 -5.867 5.221 -3.257 1.00 0.84 C ATOM 395 O LEU A 484 -7.086 5.179 -3.389 1.00 0.91 O ATOM 396 CB LEU A 484 -4.188 5.291 -5.102 1.00 1.15 C ATOM 397 CG LEU A 484 -3.372 6.066 -6.137 1.00 1.69 C ATOM 398 CD1 LEU A 484 -2.618 5.098 -7.033 1.00 2.28 C ATOM 399 CD2 LEU A 484 -4.271 6.970 -6.967 1.00 2.20 C ATOM 0 H LEU A 484 -3.187 6.746 -3.334 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.690 6.782 -4.719 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.505 4.678 -4.514 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.855 4.609 -5.629 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.653 6.695 -5.612 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.039 5.658 -7.768 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.945 4.490 -6.428 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.328 4.450 -7.548 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.669 7.511 -7.697 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.014 6.366 -7.487 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.775 7.682 -6.313 1.00 2.20 H new ATOM 411 N LEU A 485 -5.204 4.500 -2.354 1.00 1.02 N ATOM 412 CA LEU A 485 -5.858 3.516 -1.485 1.00 1.47 C ATOM 413 C LEU A 485 -6.983 4.143 -0.690 1.00 1.75 C ATOM 414 O LEU A 485 -8.044 3.538 -0.521 1.00 1.92 O ATOM 415 CB LEU A 485 -4.854 2.880 -0.524 1.00 1.90 C ATOM 416 CG LEU A 485 -3.808 1.971 -1.167 1.00 2.48 C ATOM 417 CD1 LEU A 485 -2.781 1.534 -0.133 1.00 3.19 C ATOM 418 CD2 LEU A 485 -4.477 0.763 -1.801 1.00 3.10 C ATOM 0 H LEU A 485 -4.198 4.580 -2.202 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.273 2.744 -2.133 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -4.337 3.676 0.012 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -5.405 2.302 0.218 1.00 1.90 H new ATOM 0 HG LEU A 485 -3.293 2.529 -1.949 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -2.042 0.887 -0.605 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -2.284 2.412 0.280 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -3.281 0.990 0.669 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.720 0.124 -2.255 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -5.014 0.202 -1.037 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -5.178 1.095 -2.567 1.00 3.10 H new ATOM 430 N ASP A 486 -6.738 5.357 -0.210 1.00 1.95 N ATOM 431 CA ASP A 486 -7.756 6.141 0.490 1.00 2.47 C ATOM 432 C ASP A 486 -9.064 6.210 -0.310 1.00 2.33 C ATOM 433 O ASP A 486 -10.142 6.399 0.257 1.00 2.75 O ATOM 434 CB ASP A 486 -7.218 7.550 0.755 1.00 2.90 C ATOM 435 CG ASP A 486 -8.216 8.464 1.437 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.293 8.454 2.683 1.00 3.72 O ATOM 437 OD2 ASP A 486 -8.900 9.230 0.729 1.00 3.86 O ATOM 0 H ASP A 486 -5.836 5.825 -0.293 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.979 5.649 1.437 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.323 7.478 1.373 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.916 7.998 -0.192 1.00 2.90 H new ATOM 442 N ASP A 487 -8.966 6.039 -1.625 1.00 1.85 N ATOM 443 CA ASP A 487 -10.145 6.045 -2.481 1.00 1.83 C ATOM 444 C ASP A 487 -10.454 4.644 -3.024 1.00 1.35 C ATOM 445 O ASP A 487 -11.552 4.401 -3.525 1.00 1.40 O ATOM 446 CB ASP A 487 -9.959 7.022 -3.643 1.00 2.05 C ATOM 447 CG ASP A 487 -11.242 7.246 -4.417 1.00 2.41 C ATOM 448 OD1 ASP A 487 -12.067 8.078 -3.976 1.00 2.77 O ATOM 449 OD2 ASP A 487 -11.438 6.594 -5.463 1.00 2.59 O ATOM 0 H ASP A 487 -8.085 5.895 -2.119 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.989 6.368 -1.872 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.598 7.976 -3.258 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -9.193 6.640 -4.317 1.00 2.05 H new ATOM 454 N ILE A 488 -9.496 3.718 -2.922 1.00 1.14 N ATOM 455 CA ILE A 488 -9.701 2.358 -3.404 1.00 1.13 C ATOM 456 C ILE A 488 -10.838 1.680 -2.652 1.00 1.43 C ATOM 457 O ILE A 488 -11.715 1.054 -3.247 1.00 2.27 O ATOM 458 CB ILE A 488 -8.420 1.525 -3.258 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.287 2.178 -4.050 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.649 0.092 -3.718 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.359 1.963 -5.549 1.00 1.67 C ATOM 0 H ILE A 488 -8.578 3.888 -2.512 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.963 2.421 -4.460 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.139 1.492 -2.205 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.292 3.249 -3.849 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.336 1.790 -3.686 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.727 -0.478 -3.605 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.434 -0.363 -3.114 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.951 0.090 -4.765 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.516 2.461 -6.029 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.321 0.895 -5.766 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.291 2.378 -5.932 1.00 1.67 H new ATOM 473 N LYS A 489 -10.800 1.832 -1.325 1.00 1.42 N ATOM 474 CA LYS A 489 -11.890 1.416 -0.442 1.00 1.75 C ATOM 475 C LYS A 489 -12.188 -0.079 -0.548 1.00 1.29 C ATOM 476 O LYS A 489 -13.283 -0.521 -0.200 1.00 1.88 O ATOM 477 CB LYS A 489 -13.154 2.222 -0.757 1.00 2.46 C ATOM 478 CG LYS A 489 -12.967 3.723 -0.615 1.00 3.04 C ATOM 479 CD LYS A 489 -14.052 4.486 -1.353 1.00 3.88 C ATOM 480 CE LYS A 489 -13.760 5.976 -1.377 1.00 4.70 C ATOM 481 NZ LYS A 489 -14.625 6.686 -2.353 1.00 5.28 N ATOM 0 H LYS A 489 -10.009 2.248 -0.833 1.00 1.42 H new ATOM 0 HA LYS A 489 -11.569 1.612 0.581 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.474 1.998 -1.775 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.956 1.899 -0.093 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -12.982 3.995 0.440 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -11.990 4.008 -1.004 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.132 4.112 -2.374 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -15.014 4.310 -0.873 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -13.914 6.394 -0.382 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -12.713 6.138 -1.632 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -14.031 7.208 -3.028 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -15.208 5.995 -2.867 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -15.243 7.353 -1.848 1.00 5.28 H new ATOM 495 N GLY A 490 -11.208 -0.857 -0.988 1.00 0.91 N ATOM 496 CA GLY A 490 -11.425 -2.278 -1.169 1.00 0.96 C ATOM 497 C GLY A 490 -10.553 -3.128 -0.268 1.00 0.67 C ATOM 498 O GLY A 490 -9.334 -2.949 -0.229 1.00 0.69 O ATOM 0 H GLY A 490 -10.270 -0.531 -1.222 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -12.473 -2.508 -0.974 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.229 -2.541 -2.209 1.00 0.96 H new ATOM 502 N ALA A 491 -11.173 -4.057 0.452 1.00 0.70 N ATOM 503 CA ALA A 491 -10.439 -4.963 1.326 1.00 0.84 C ATOM 504 C ALA A 491 -9.747 -6.039 0.498 1.00 0.71 C ATOM 505 O ALA A 491 -8.637 -6.470 0.814 1.00 0.69 O ATOM 506 CB ALA A 491 -11.369 -5.588 2.356 1.00 1.22 C ATOM 0 H ALA A 491 -12.183 -4.202 0.447 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.680 -4.394 1.862 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.801 -6.261 2.998 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -11.821 -4.803 2.962 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.152 -6.149 1.846 1.00 1.22 H new ATOM 512 N ASN A 492 -10.411 -6.460 -0.570 1.00 0.73 N ATOM 513 CA ASN A 492 -9.814 -7.379 -1.532 1.00 0.78 C ATOM 514 C ASN A 492 -8.571 -6.757 -2.153 1.00 0.65 C ATOM 515 O ASN A 492 -7.558 -7.429 -2.362 1.00 0.67 O ATOM 516 CB ASN A 492 -10.828 -7.743 -2.624 1.00 1.00 C ATOM 517 CG ASN A 492 -10.177 -8.389 -3.836 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.940 -9.596 -3.861 1.00 2.38 O ATOM 519 ND2 ASN A 492 -9.900 -7.588 -4.856 1.00 2.19 N ATOM 0 H ASN A 492 -11.366 -6.179 -0.793 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.525 -8.291 -1.009 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.573 -8.423 -2.211 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.357 -6.843 -2.937 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.474 -7.968 -5.702 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.113 -6.592 -4.795 1.00 2.19 H new ATOM 526 N ASP A 493 -8.650 -5.461 -2.431 1.00 0.63 N ATOM 527 CA ASP A 493 -7.530 -4.739 -3.013 1.00 0.69 C ATOM 528 C ASP A 493 -6.422 -4.550 -1.988 1.00 0.62 C ATOM 529 O ASP A 493 -5.256 -4.433 -2.350 1.00 0.66 O ATOM 530 CB ASP A 493 -7.974 -3.389 -3.574 1.00 0.86 C ATOM 531 CG ASP A 493 -8.829 -3.535 -4.814 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.266 -3.588 -5.928 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.069 -3.591 -4.687 1.00 1.97 O ATOM 0 H ASP A 493 -9.479 -4.891 -2.262 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.142 -5.336 -3.838 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.534 -2.848 -2.811 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.095 -2.789 -3.810 1.00 0.86 H new ATOM 538 N LEU A 494 -6.784 -4.523 -0.707 1.00 0.61 N ATOM 539 CA LEU A 494 -5.790 -4.528 0.360 1.00 0.69 C ATOM 540 C LEU A 494 -4.920 -5.771 0.251 1.00 0.57 C ATOM 541 O LEU A 494 -3.695 -5.682 0.206 1.00 0.56 O ATOM 542 CB LEU A 494 -6.455 -4.483 1.738 1.00 0.91 C ATOM 543 CG LEU A 494 -7.028 -3.127 2.141 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.705 -3.223 3.500 1.00 1.74 C ATOM 545 CD2 LEU A 494 -5.924 -2.081 2.163 1.00 1.77 C ATOM 0 H LEU A 494 -7.752 -4.498 -0.386 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.172 -3.637 0.250 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.258 -5.220 1.760 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -5.723 -4.787 2.487 1.00 0.91 H new ATOM 0 HG LEU A 494 -7.776 -2.826 1.407 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.109 -2.249 3.775 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -8.515 -3.951 3.453 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -6.977 -3.538 4.248 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -6.342 -1.117 2.452 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.159 -2.375 2.882 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -5.479 -2.001 1.171 1.00 1.77 H new ATOM 557 N ALA A 495 -5.560 -6.929 0.185 1.00 0.56 N ATOM 558 CA ALA A 495 -4.838 -8.181 0.042 1.00 0.59 C ATOM 559 C ALA A 495 -4.057 -8.192 -1.272 1.00 0.55 C ATOM 560 O ALA A 495 -2.965 -8.754 -1.357 1.00 0.58 O ATOM 561 CB ALA A 495 -5.796 -9.361 0.112 1.00 0.68 C ATOM 0 H ALA A 495 -6.574 -7.026 0.228 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.129 -8.272 0.865 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.237 -10.290 0.003 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.309 -9.357 1.074 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.529 -9.282 -0.691 1.00 0.68 H new ATOM 567 N LYS A 496 -4.622 -7.541 -2.282 1.00 0.59 N ATOM 568 CA LYS A 496 -3.979 -7.403 -3.583 1.00 0.68 C ATOM 569 C LYS A 496 -2.674 -6.610 -3.463 1.00 0.63 C ATOM 570 O LYS A 496 -1.623 -7.067 -3.905 1.00 0.65 O ATOM 571 CB LYS A 496 -4.963 -6.746 -4.570 1.00 0.85 C ATOM 572 CG LYS A 496 -4.359 -6.274 -5.885 1.00 1.29 C ATOM 573 CD LYS A 496 -3.953 -4.810 -5.810 1.00 1.77 C ATOM 574 CE LYS A 496 -3.470 -4.275 -7.148 1.00 2.53 C ATOM 575 NZ LYS A 496 -4.554 -4.234 -8.166 1.00 2.98 N ATOM 0 H LYS A 496 -5.537 -7.095 -2.222 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.715 -8.389 -3.966 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.758 -7.458 -4.791 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.428 -5.892 -4.077 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -3.489 -6.883 -6.128 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.080 -6.413 -6.690 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -4.802 -4.217 -5.469 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.163 -4.692 -5.068 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -3.066 -3.272 -7.011 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.655 -4.900 -7.514 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.231 -3.695 -8.995 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -4.795 -5.203 -8.455 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -5.394 -3.775 -7.760 1.00 2.98 H new ATOM 589 N PHE A 497 -2.737 -5.436 -2.837 1.00 0.64 N ATOM 590 CA PHE A 497 -1.546 -4.609 -2.641 1.00 0.70 C ATOM 591 C PHE A 497 -0.636 -5.207 -1.571 1.00 0.62 C ATOM 592 O PHE A 497 0.537 -4.846 -1.457 1.00 0.67 O ATOM 593 CB PHE A 497 -1.934 -3.171 -2.275 1.00 0.84 C ATOM 594 CG PHE A 497 -2.427 -2.365 -3.444 1.00 0.98 C ATOM 595 CD1 PHE A 497 -1.533 -1.862 -4.375 1.00 1.34 C ATOM 596 CD2 PHE A 497 -3.777 -2.106 -3.612 1.00 1.27 C ATOM 597 CE1 PHE A 497 -1.975 -1.116 -5.449 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.227 -1.361 -4.687 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.323 -0.866 -5.607 1.00 1.82 C ATOM 0 H PHE A 497 -3.596 -5.037 -2.458 1.00 0.64 H new ATOM 0 HA PHE A 497 -0.996 -4.586 -3.582 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -2.709 -3.196 -1.509 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.070 -2.670 -1.838 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -0.477 -2.056 -4.259 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.487 -2.490 -2.895 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -1.266 -0.728 -6.165 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.283 -1.167 -4.807 1.00 1.72 H new ATOM 0 HZ PHE A 497 -3.671 -0.285 -6.448 1.00 1.82 H new ATOM 609 N HIS A 498 -1.183 -6.140 -0.810 1.00 0.57 N ATOM 610 CA HIS A 498 -0.425 -6.860 0.200 1.00 0.62 C ATOM 611 C HIS A 498 0.491 -7.834 -0.505 1.00 0.54 C ATOM 612 O HIS A 498 1.699 -7.831 -0.289 1.00 0.56 O ATOM 613 CB HIS A 498 -1.366 -7.595 1.165 1.00 0.75 C ATOM 614 CG HIS A 498 -0.670 -8.453 2.179 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.743 -9.829 2.172 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.103 -8.127 3.243 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.047 -10.311 3.181 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.477 -9.303 3.845 1.00 1.69 N ATOM 0 H HIS A 498 -2.162 -6.419 -0.874 1.00 0.57 H new ATOM 0 HA HIS A 498 0.164 -6.160 0.793 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -1.977 -6.859 1.688 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.046 -8.219 0.585 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.374 -7.130 3.558 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.073 -11.357 3.423 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.066 -9.382 4.674 1.00 1.69 H new ATOM 627 N GLN A 499 -0.102 -8.645 -1.374 1.00 0.54 N ATOM 628 CA GLN A 499 0.658 -9.535 -2.235 1.00 0.60 C ATOM 629 C GLN A 499 1.718 -8.741 -2.977 1.00 0.53 C ATOM 630 O GLN A 499 2.860 -9.178 -3.098 1.00 0.54 O ATOM 631 CB GLN A 499 -0.266 -10.216 -3.246 1.00 0.77 C ATOM 632 CG GLN A 499 0.464 -11.111 -4.237 1.00 1.43 C ATOM 633 CD GLN A 499 -0.410 -11.522 -5.407 1.00 2.00 C ATOM 634 OE1 GLN A 499 -1.631 -11.635 -5.278 1.00 2.63 O ATOM 635 NE2 GLN A 499 0.206 -11.748 -6.558 1.00 2.58 N ATOM 0 H GLN A 499 -1.113 -8.702 -1.499 1.00 0.54 H new ATOM 0 HA GLN A 499 1.132 -10.299 -1.619 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.003 -10.811 -2.707 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.814 -9.451 -3.796 1.00 0.77 H new ATOM 0 HG2 GLN A 499 1.344 -10.589 -4.612 1.00 1.43 H new ATOM 0 HG3 GLN A 499 0.818 -12.004 -3.722 1.00 1.43 H new ATOM 0 HE21 GLN A 499 1.219 -11.644 -6.624 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -0.332 -12.026 -7.378 1.00 2.58 H new ATOM 644 N MET A 500 1.327 -7.556 -3.440 1.00 0.54 N ATOM 645 CA MET A 500 2.208 -6.717 -4.232 1.00 0.63 C ATOM 646 C MET A 500 3.522 -6.423 -3.515 1.00 0.57 C ATOM 647 O MET A 500 4.562 -6.979 -3.867 1.00 0.58 O ATOM 648 CB MET A 500 1.525 -5.404 -4.632 1.00 0.80 C ATOM 649 CG MET A 500 0.413 -5.580 -5.655 1.00 1.26 C ATOM 650 SD MET A 500 0.951 -6.463 -7.134 1.00 1.91 S ATOM 651 CE MET A 500 2.253 -5.383 -7.732 1.00 2.52 C ATOM 0 H MET A 500 0.402 -7.159 -3.277 1.00 0.54 H new ATOM 0 HA MET A 500 2.437 -7.281 -5.136 1.00 0.63 H new ATOM 0 HB2 MET A 500 1.114 -4.932 -3.740 1.00 0.80 H new ATOM 0 HB3 MET A 500 2.274 -4.723 -5.036 1.00 0.80 H new ATOM 0 HG2 MET A 500 -0.414 -6.122 -5.196 1.00 1.26 H new ATOM 0 HG3 MET A 500 0.032 -4.600 -5.942 1.00 1.26 H new ATOM 0 HE1 MET A 500 2.535 -5.678 -8.743 1.00 2.52 H new ATOM 0 HE2 MET A 500 1.896 -4.353 -7.740 1.00 2.52 H new ATOM 0 HE3 MET A 500 3.120 -5.461 -7.077 1.00 2.52 H new ATOM 661 N LEU A 501 3.479 -5.569 -2.498 1.00 0.59 N ATOM 662 CA LEU A 501 4.705 -5.107 -1.854 1.00 0.65 C ATOM 663 C LEU A 501 5.362 -6.207 -1.027 1.00 0.56 C ATOM 664 O LEU A 501 6.588 -6.235 -0.889 1.00 0.62 O ATOM 665 CB LEU A 501 4.461 -3.873 -0.982 1.00 0.85 C ATOM 666 CG LEU A 501 4.158 -2.573 -1.741 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.742 -2.573 -2.299 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.375 -1.369 -0.839 1.00 1.91 C ATOM 0 H LEU A 501 2.619 -5.186 -2.105 1.00 0.59 H new ATOM 0 HA LEU A 501 5.386 -4.829 -2.658 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.628 -4.083 -0.311 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.340 -3.712 -0.358 1.00 0.85 H new ATOM 0 HG LEU A 501 4.847 -2.509 -2.583 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.560 -1.639 -2.830 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.622 -3.411 -2.986 1.00 2.09 H new ATOM 0 HD13 LEU A 501 2.028 -2.670 -1.481 1.00 2.09 H new ATOM 0 HD21 LEU A 501 4.156 -0.456 -1.392 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.714 -1.438 0.025 1.00 1.91 H new ATOM 0 HD23 LEU A 501 5.411 -1.349 -0.502 1.00 1.91 H new ATOM 680 N VAL A 502 4.563 -7.123 -0.486 1.00 0.53 N ATOM 681 CA VAL A 502 5.122 -8.222 0.287 1.00 0.64 C ATOM 682 C VAL A 502 5.884 -9.177 -0.627 1.00 0.61 C ATOM 683 O VAL A 502 6.837 -9.821 -0.200 1.00 0.73 O ATOM 684 CB VAL A 502 4.041 -8.978 1.098 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.613 -10.228 1.755 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.444 -8.060 2.154 1.00 1.02 C ATOM 0 H VAL A 502 3.546 -7.126 -0.567 1.00 0.53 H new ATOM 0 HA VAL A 502 5.817 -7.794 1.010 1.00 0.64 H new ATOM 0 HB VAL A 502 3.258 -9.290 0.407 1.00 0.86 H new ATOM 0 HG11 VAL A 502 3.828 -10.735 2.316 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.001 -10.898 0.987 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.420 -9.947 2.432 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.685 -8.601 2.719 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.230 -7.725 2.831 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.989 -7.196 1.670 1.00 1.02 H new ATOM 696 N LYS A 503 5.487 -9.252 -1.895 1.00 0.58 N ATOM 697 CA LYS A 503 6.237 -10.043 -2.860 1.00 0.71 C ATOM 698 C LYS A 503 7.328 -9.200 -3.520 1.00 0.69 C ATOM 699 O LYS A 503 8.258 -9.734 -4.125 1.00 0.84 O ATOM 700 CB LYS A 503 5.312 -10.669 -3.907 1.00 0.88 C ATOM 701 CG LYS A 503 6.045 -11.532 -4.919 1.00 1.35 C ATOM 702 CD LYS A 503 5.165 -12.643 -5.457 1.00 1.44 C ATOM 703 CE LYS A 503 4.799 -13.642 -4.369 1.00 2.04 C ATOM 704 NZ LYS A 503 6.001 -14.177 -3.669 1.00 2.54 N ATOM 0 H LYS A 503 4.664 -8.782 -2.271 1.00 0.58 H new ATOM 0 HA LYS A 503 6.719 -10.859 -2.321 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.560 -11.274 -3.401 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.781 -9.876 -4.433 1.00 0.88 H new ATOM 0 HG2 LYS A 503 6.390 -10.910 -5.745 1.00 1.35 H new ATOM 0 HG3 LYS A 503 6.931 -11.964 -4.454 1.00 1.35 H new ATOM 0 HD2 LYS A 503 4.256 -12.216 -5.880 1.00 1.44 H new ATOM 0 HD3 LYS A 503 5.682 -13.158 -6.266 1.00 1.44 H new ATOM 0 HE2 LYS A 503 4.142 -13.162 -3.644 1.00 2.04 H new ATOM 0 HE3 LYS A 503 4.239 -14.467 -4.809 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 5.731 -15.003 -3.098 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 6.715 -14.459 -4.371 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 6.397 -13.442 -3.049 1.00 2.54 H new ATOM 718 N ILE A 504 7.211 -7.881 -3.415 1.00 0.62 N ATOM 719 CA ILE A 504 8.295 -6.998 -3.821 1.00 0.73 C ATOM 720 C ILE A 504 9.534 -7.299 -2.980 1.00 0.73 C ATOM 721 O ILE A 504 10.656 -7.334 -3.487 1.00 0.85 O ATOM 722 CB ILE A 504 7.914 -5.503 -3.689 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.835 -5.134 -4.712 1.00 1.30 C ATOM 724 CG2 ILE A 504 9.133 -4.606 -3.860 1.00 1.34 C ATOM 725 CD1 ILE A 504 7.237 -5.395 -6.149 1.00 1.75 C ATOM 0 H ILE A 504 6.384 -7.404 -3.056 1.00 0.62 H new ATOM 0 HA ILE A 504 8.502 -7.185 -4.875 1.00 0.73 H new ATOM 0 HB ILE A 504 7.517 -5.346 -2.686 1.00 0.87 H new ATOM 0 HG12 ILE A 504 5.929 -5.699 -4.490 1.00 1.30 H new ATOM 0 HG13 ILE A 504 6.588 -4.078 -4.600 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.834 -3.563 -3.762 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.871 -4.845 -3.094 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.568 -4.768 -4.846 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.421 -5.109 -6.813 1.00 1.75 H new ATOM 0 HD12 ILE A 504 8.124 -4.810 -6.391 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.455 -6.455 -6.279 1.00 1.75 H new ATOM 737 N ILE A 505 9.310 -7.538 -1.694 1.00 0.71 N ATOM 738 CA ILE A 505 10.384 -7.914 -0.788 1.00 0.85 C ATOM 739 C ILE A 505 10.624 -9.424 -0.835 1.00 0.97 C ATOM 740 O ILE A 505 11.737 -9.882 -1.095 1.00 1.20 O ATOM 741 CB ILE A 505 10.062 -7.492 0.663 1.00 1.10 C ATOM 742 CG1 ILE A 505 9.804 -5.984 0.743 1.00 1.49 C ATOM 743 CG2 ILE A 505 11.194 -7.890 1.602 1.00 1.83 C ATOM 744 CD1 ILE A 505 10.973 -5.133 0.282 1.00 2.19 C ATOM 745 OXT ILE A 505 9.641 -10.166 -0.609 1.00 1.58 O ATOM 0 H ILE A 505 8.391 -7.477 -1.256 1.00 0.71 H new ATOM 0 HA ILE A 505 11.285 -7.394 -1.114 1.00 0.85 H new ATOM 0 HB ILE A 505 9.157 -8.012 0.976 1.00 1.10 H new ATOM 0 HG12 ILE A 505 8.931 -5.742 0.137 1.00 1.49 H new ATOM 0 HG13 ILE A 505 9.560 -5.721 1.772 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.948 -7.584 2.619 1.00 1.83 H new ATOM 0 HG22 ILE A 505 11.329 -8.971 1.571 1.00 1.83 H new ATOM 0 HG23 ILE A 505 12.116 -7.400 1.289 1.00 1.83 H new ATOM 0 HD11 ILE A 505 10.712 -4.078 0.369 1.00 2.19 H new ATOM 0 HD12 ILE A 505 11.844 -5.344 0.903 1.00 2.19 H new ATOM 0 HD13 ILE A 505 11.204 -5.365 -0.758 1.00 2.19 H new TER 757 ILE A 505