USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=10 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 499 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 80:sc= 1.19 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot 69:sc= 1.18 USER MOD Single : A 471 SER OG : rot 65:sc= 1.04 USER MOD Single : A 478 LYS NZ :NH3+ 178:sc= 2.08 (180deg=2.05) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl -136:sc= -0.262 (180deg=-1.03) USER MOD Single : A 483 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 489 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0334) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 496 LYS NZ :NH3+ -168:sc=-0.00866 (180deg=-0.127) USER MOD Single : A 498 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.591 -0.551 7.223 1.00 1.77 N ATOM 2 CA SER A 462 -4.460 0.155 7.799 1.00 1.60 C ATOM 3 C SER A 462 -3.193 -0.701 7.735 1.00 1.25 C ATOM 4 O SER A 462 -2.084 -0.189 7.896 1.00 1.09 O ATOM 5 CB SER A 462 -4.772 0.551 9.242 1.00 1.97 C ATOM 6 OG SER A 462 -3.938 1.615 9.671 1.00 2.70 O ATOM 0 HA SER A 462 -4.282 1.059 7.217 1.00 1.60 H new ATOM 0 HB2 SER A 462 -5.817 0.849 9.323 1.00 1.97 H new ATOM 0 HB3 SER A 462 -4.634 -0.310 9.896 1.00 1.97 H new ATOM 0 HG SER A 462 -4.158 1.851 10.596 1.00 2.70 H new ATOM 14 N VAL A 463 -3.364 -2.001 7.492 1.00 1.25 N ATOM 15 CA VAL A 463 -2.233 -2.900 7.304 1.00 1.07 C ATOM 16 C VAL A 463 -1.387 -2.454 6.116 1.00 0.89 C ATOM 17 O VAL A 463 -0.307 -1.908 6.303 1.00 0.76 O ATOM 18 CB VAL A 463 -2.678 -4.365 7.093 1.00 1.28 C ATOM 19 CG1 VAL A 463 -1.469 -5.277 6.932 1.00 1.28 C ATOM 20 CG2 VAL A 463 -3.536 -4.828 8.256 1.00 1.50 C ATOM 0 H VAL A 463 -4.276 -2.452 7.421 1.00 1.25 H new ATOM 0 HA VAL A 463 -1.641 -2.855 8.218 1.00 1.07 H new ATOM 0 HB VAL A 463 -3.270 -4.415 6.179 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -1.805 -6.304 6.785 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -0.885 -4.958 6.068 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -0.850 -5.223 7.828 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -3.842 -5.861 8.094 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -2.963 -4.760 9.181 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -4.420 -4.195 8.330 1.00 1.50 H new ATOM 30 N ILE A 464 -1.894 -2.655 4.898 1.00 1.02 N ATOM 31 CA ILE A 464 -1.143 -2.296 3.693 1.00 1.02 C ATOM 32 C ILE A 464 -0.913 -0.783 3.647 1.00 0.88 C ATOM 33 O ILE A 464 0.119 -0.315 3.158 1.00 0.84 O ATOM 34 CB ILE A 464 -1.850 -2.793 2.401 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.028 -2.450 1.150 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.250 -2.209 2.291 1.00 1.96 C ATOM 37 CD1 ILE A 464 0.390 -2.980 1.193 1.00 2.72 C ATOM 0 H ILE A 464 -2.813 -3.061 4.720 1.00 1.02 H new ATOM 0 HA ILE A 464 -0.176 -2.797 3.739 1.00 1.02 H new ATOM 0 HB ILE A 464 -1.931 -3.878 2.466 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.532 -2.854 0.272 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -0.999 -1.367 1.030 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -3.725 -2.571 1.379 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -3.841 -2.516 3.154 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -3.189 -1.121 2.261 1.00 1.96 H new ATOM 0 HD11 ILE A 464 0.911 -2.700 0.277 1.00 2.72 H new ATOM 0 HD12 ILE A 464 0.911 -2.556 2.051 1.00 2.72 H new ATOM 0 HD13 ILE A 464 0.370 -4.066 1.281 1.00 2.72 H new ATOM 49 N ARG A 465 -1.872 -0.044 4.200 1.00 0.94 N ATOM 50 CA ARG A 465 -1.770 1.403 4.376 1.00 0.95 C ATOM 51 C ARG A 465 -0.422 1.770 5.014 1.00 0.83 C ATOM 52 O ARG A 465 0.376 2.534 4.454 1.00 0.90 O ATOM 53 CB ARG A 465 -2.922 1.822 5.288 1.00 1.18 C ATOM 54 CG ARG A 465 -3.241 3.302 5.364 1.00 1.57 C ATOM 55 CD ARG A 465 -4.291 3.519 6.442 1.00 1.81 C ATOM 56 NE ARG A 465 -4.900 4.845 6.429 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.192 5.525 7.536 1.00 2.61 C ATOM 58 NH1 ARG A 465 -4.758 5.092 8.717 1.00 2.88 N ATOM 59 NH2 ARG A 465 -5.899 6.641 7.459 1.00 3.37 N ATOM 0 H ARG A 465 -2.750 -0.436 4.542 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.828 1.916 3.416 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.820 1.299 4.960 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.700 1.472 6.296 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.340 3.871 5.594 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -3.608 3.660 4.402 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -5.075 2.771 6.325 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -3.834 3.352 7.417 1.00 1.81 H new ATOM 0 HE ARG A 465 -5.113 5.272 5.527 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -4.202 4.239 8.774 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -4.982 5.613 9.565 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -6.220 6.980 6.552 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -6.123 7.162 8.307 1.00 3.37 H new ATOM 73 N SER A 466 -0.157 1.183 6.174 1.00 0.80 N ATOM 74 CA SER A 466 1.056 1.475 6.920 1.00 0.87 C ATOM 75 C SER A 466 2.246 0.673 6.389 1.00 0.85 C ATOM 76 O SER A 466 3.384 1.139 6.452 1.00 1.03 O ATOM 77 CB SER A 466 0.835 1.178 8.401 1.00 0.96 C ATOM 78 OG SER A 466 -0.385 1.747 8.849 1.00 1.63 O ATOM 0 H SER A 466 -0.770 0.499 6.618 1.00 0.80 H new ATOM 0 HA SER A 466 1.288 2.533 6.794 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.821 0.100 8.563 1.00 0.96 H new ATOM 0 HB3 SER A 466 1.664 1.577 8.985 1.00 0.96 H new ATOM 0 HG SER A 466 -1.132 1.169 8.586 1.00 1.63 H new ATOM 84 N ILE A 467 1.982 -0.525 5.863 1.00 0.78 N ATOM 85 CA ILE A 467 3.042 -1.380 5.325 1.00 0.91 C ATOM 86 C ILE A 467 3.827 -0.660 4.236 1.00 0.96 C ATOM 87 O ILE A 467 5.061 -0.624 4.280 1.00 1.18 O ATOM 88 CB ILE A 467 2.499 -2.727 4.775 1.00 1.02 C ATOM 89 CG1 ILE A 467 2.057 -3.637 5.926 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.542 -3.432 3.913 1.00 1.24 C ATOM 91 CD1 ILE A 467 3.162 -3.964 6.912 1.00 1.59 C ATOM 0 H ILE A 467 1.046 -0.924 5.798 1.00 0.78 H new ATOM 0 HA ILE A 467 3.706 -1.605 6.160 1.00 0.91 H new ATOM 0 HB ILE A 467 1.635 -2.508 4.148 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.237 -3.157 6.461 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.667 -4.567 5.512 1.00 1.14 H new ATOM 0 HG21 ILE A 467 3.133 -4.372 3.542 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.808 -2.795 3.070 1.00 1.24 H new ATOM 0 HG23 ILE A 467 4.431 -3.634 4.510 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.770 -4.612 7.696 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.974 -4.473 6.393 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.537 -3.042 7.357 1.00 1.59 H new ATOM 103 N ILE A 468 3.125 -0.061 3.274 1.00 0.87 N ATOM 104 CA ILE A 468 3.814 0.668 2.223 1.00 0.99 C ATOM 105 C ILE A 468 4.612 1.815 2.828 1.00 1.08 C ATOM 106 O ILE A 468 5.790 1.965 2.528 1.00 1.27 O ATOM 107 CB ILE A 468 2.874 1.189 1.107 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.780 2.111 1.654 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.252 0.016 0.368 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.975 2.782 0.572 1.00 1.65 C ATOM 0 H ILE A 468 2.107 -0.067 3.204 1.00 0.87 H new ATOM 0 HA ILE A 468 4.486 -0.041 1.740 1.00 0.99 H new ATOM 0 HB ILE A 468 3.477 1.780 0.417 1.00 1.02 H new ATOM 0 HG12 ILE A 468 1.110 1.532 2.290 1.00 0.80 H new ATOM 0 HG13 ILE A 468 2.238 2.874 2.284 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.592 0.388 -0.416 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.039 -0.591 -0.079 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.678 -0.592 1.068 1.00 1.34 H new ATOM 0 HD11 ILE A 468 0.217 3.421 1.025 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.635 3.387 -0.050 1.00 1.65 H new ATOM 0 HD13 ILE A 468 0.490 2.024 -0.043 1.00 1.65 H new ATOM 122 N LYS A 469 3.989 2.569 3.739 1.00 1.04 N ATOM 123 CA LYS A 469 4.675 3.677 4.411 1.00 1.27 C ATOM 124 C LYS A 469 5.928 3.198 5.150 1.00 1.47 C ATOM 125 O LYS A 469 6.887 3.951 5.322 1.00 1.68 O ATOM 126 CB LYS A 469 3.741 4.373 5.402 1.00 1.35 C ATOM 127 CG LYS A 469 2.599 5.136 4.753 1.00 1.75 C ATOM 128 CD LYS A 469 1.813 5.925 5.789 1.00 1.96 C ATOM 129 CE LYS A 469 2.705 6.920 6.515 1.00 2.66 C ATOM 130 NZ LYS A 469 2.019 7.554 7.672 1.00 2.97 N ATOM 0 H LYS A 469 3.020 2.434 4.026 1.00 1.04 H new ATOM 0 HA LYS A 469 4.975 4.383 3.637 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.326 3.626 6.078 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.325 5.064 6.010 1.00 1.35 H new ATOM 0 HG2 LYS A 469 2.994 5.814 3.996 1.00 1.75 H new ATOM 0 HG3 LYS A 469 1.936 4.439 4.241 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.994 6.455 5.302 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.366 5.240 6.510 1.00 1.96 H new ATOM 0 HE2 LYS A 469 3.604 6.412 6.863 1.00 2.66 H new ATOM 0 HE3 LYS A 469 3.026 7.694 5.817 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 2.666 8.224 8.135 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.175 8.062 7.339 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.736 6.820 8.352 1.00 2.97 H new ATOM 144 N SER A 470 5.910 1.949 5.588 1.00 1.46 N ATOM 145 CA SER A 470 7.037 1.377 6.310 1.00 1.71 C ATOM 146 C SER A 470 8.104 0.865 5.344 1.00 1.82 C ATOM 147 O SER A 470 9.282 0.796 5.691 1.00 2.10 O ATOM 148 CB SER A 470 6.554 0.241 7.213 1.00 1.74 C ATOM 149 OG SER A 470 5.487 0.677 8.043 1.00 2.10 O ATOM 0 H SER A 470 5.126 1.310 5.456 1.00 1.46 H new ATOM 0 HA SER A 470 7.484 2.159 6.924 1.00 1.71 H new ATOM 0 HB2 SER A 470 6.226 -0.600 6.603 1.00 1.74 H new ATOM 0 HB3 SER A 470 7.379 -0.115 7.830 1.00 1.74 H new ATOM 0 HG SER A 470 4.692 0.843 7.494 1.00 2.10 H new ATOM 155 N SER A 471 7.694 0.522 4.126 1.00 1.68 N ATOM 156 CA SER A 471 8.625 -0.003 3.133 1.00 1.90 C ATOM 157 C SER A 471 9.555 1.107 2.636 1.00 1.57 C ATOM 158 O SER A 471 9.103 2.091 2.049 1.00 1.83 O ATOM 159 CB SER A 471 7.845 -0.615 1.970 1.00 2.65 C ATOM 160 OG SER A 471 6.923 -1.585 2.435 1.00 3.40 O ATOM 0 H SER A 471 6.729 0.598 3.805 1.00 1.68 H new ATOM 0 HA SER A 471 9.238 -0.779 3.592 1.00 1.90 H new ATOM 0 HB2 SER A 471 7.313 0.169 1.431 1.00 2.65 H new ATOM 0 HB3 SER A 471 8.537 -1.074 1.264 1.00 2.65 H new ATOM 0 HG SER A 471 6.241 -1.150 2.988 1.00 3.40 H new ATOM 166 N ARG A 472 10.857 0.950 2.868 1.00 1.77 N ATOM 167 CA ARG A 472 11.817 2.006 2.576 1.00 1.99 C ATOM 168 C ARG A 472 12.195 2.041 1.092 1.00 1.90 C ATOM 169 O ARG A 472 13.368 1.948 0.729 1.00 2.38 O ATOM 170 CB ARG A 472 13.072 1.842 3.437 1.00 2.75 C ATOM 171 CG ARG A 472 13.885 3.118 3.551 1.00 3.26 C ATOM 172 CD ARG A 472 15.205 2.890 4.265 1.00 3.92 C ATOM 173 NE ARG A 472 16.116 2.050 3.488 1.00 4.22 N ATOM 174 CZ ARG A 472 17.394 2.353 3.256 1.00 4.90 C ATOM 175 NH1 ARG A 472 17.915 3.478 3.735 1.00 5.31 N ATOM 176 NH2 ARG A 472 18.152 1.527 2.547 1.00 5.50 N ATOM 0 H ARG A 472 11.268 0.102 3.257 1.00 1.77 H new ATOM 0 HA ARG A 472 11.339 2.955 2.818 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.781 1.513 4.435 1.00 2.75 H new ATOM 0 HB3 ARG A 472 13.697 1.056 3.012 1.00 2.75 H new ATOM 0 HG2 ARG A 472 14.076 3.516 2.555 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.307 3.869 4.089 1.00 3.26 H new ATOM 0 HD2 ARG A 472 15.680 3.851 4.463 1.00 3.92 H new ATOM 0 HD3 ARG A 472 15.017 2.422 5.231 1.00 3.92 H new ATOM 0 HE ARG A 472 15.752 1.180 3.100 1.00 4.22 H new ATOM 0 HH11 ARG A 472 17.337 4.115 4.283 1.00 5.31 H new ATOM 0 HH12 ARG A 472 18.893 3.704 3.554 1.00 5.31 H new ATOM 0 HH21 ARG A 472 17.757 0.661 2.180 1.00 5.50 H new ATOM 0 HH22 ARG A 472 19.129 1.758 2.369 1.00 5.50 H new ATOM 190 N LEU A 473 11.197 2.172 0.234 1.00 1.57 N ATOM 191 CA LEU A 473 11.427 2.392 -1.187 1.00 1.68 C ATOM 192 C LEU A 473 10.311 3.271 -1.733 1.00 1.46 C ATOM 193 O LEU A 473 9.266 3.387 -1.093 1.00 2.00 O ATOM 194 CB LEU A 473 11.494 1.069 -1.966 1.00 2.11 C ATOM 195 CG LEU A 473 10.146 0.424 -2.301 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.333 -0.712 -3.291 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.450 -0.087 -1.048 1.00 2.17 C ATOM 0 H LEU A 473 10.213 2.130 0.498 1.00 1.57 H new ATOM 0 HA LEU A 473 12.391 2.886 -1.312 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.033 1.244 -2.897 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.082 0.357 -1.386 1.00 2.11 H new ATOM 0 HG LEU A 473 9.515 1.190 -2.752 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.365 -1.159 -3.518 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.779 -0.326 -4.208 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.989 -1.467 -2.859 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.496 -0.539 -1.320 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.079 -0.832 -0.561 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.276 0.744 -0.364 1.00 2.17 H new ATOM 209 N GLU A 474 10.544 3.867 -2.909 1.00 1.28 N ATOM 210 CA GLU A 474 9.605 4.804 -3.554 1.00 1.36 C ATOM 211 C GLU A 474 8.757 5.604 -2.561 1.00 1.06 C ATOM 212 O GLU A 474 7.609 5.258 -2.274 1.00 1.14 O ATOM 213 CB GLU A 474 8.705 4.086 -4.562 1.00 1.92 C ATOM 214 CG GLU A 474 8.483 2.609 -4.290 1.00 2.48 C ATOM 215 CD GLU A 474 7.702 1.925 -5.394 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.176 1.917 -6.548 1.00 3.47 O ATOM 217 OE2 GLU A 474 6.610 1.388 -5.118 1.00 3.36 O ATOM 0 H GLU A 474 11.397 3.713 -3.448 1.00 1.28 H new ATOM 0 HA GLU A 474 10.230 5.524 -4.082 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.736 4.586 -4.581 1.00 1.92 H new ATOM 0 HB3 GLU A 474 9.139 4.195 -5.556 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.448 2.116 -4.173 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.949 2.493 -3.347 1.00 2.48 H new ATOM 224 N GLU A 475 9.315 6.700 -2.071 1.00 0.94 N ATOM 225 CA GLU A 475 8.639 7.525 -1.080 1.00 0.84 C ATOM 226 C GLU A 475 7.372 8.158 -1.651 1.00 0.73 C ATOM 227 O GLU A 475 6.329 8.196 -0.983 1.00 0.73 O ATOM 228 CB GLU A 475 9.582 8.602 -0.537 1.00 1.20 C ATOM 229 CG GLU A 475 10.595 8.072 0.467 1.00 1.66 C ATOM 230 CD GLU A 475 11.668 7.195 -0.150 1.00 2.13 C ATOM 231 OE1 GLU A 475 12.685 7.736 -0.625 1.00 2.49 O ATOM 232 OE2 GLU A 475 11.506 5.959 -0.136 1.00 2.79 O ATOM 0 H GLU A 475 10.237 7.040 -2.344 1.00 0.94 H new ATOM 0 HA GLU A 475 8.344 6.876 -0.256 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.114 9.061 -1.370 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.991 9.387 -0.065 1.00 1.20 H new ATOM 0 HG2 GLU A 475 11.071 8.915 0.968 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.069 7.502 1.233 1.00 1.66 H new ATOM 239 N ASP A 476 7.452 8.629 -2.894 1.00 0.88 N ATOM 240 CA ASP A 476 6.285 9.206 -3.564 1.00 0.98 C ATOM 241 C ASP A 476 5.178 8.184 -3.611 1.00 0.85 C ATOM 242 O ASP A 476 4.015 8.500 -3.409 1.00 0.84 O ATOM 243 CB ASP A 476 6.584 9.615 -5.001 1.00 1.36 C ATOM 244 CG ASP A 476 7.961 10.214 -5.181 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.118 11.437 -5.014 1.00 2.63 O ATOM 246 OD2 ASP A 476 8.901 9.447 -5.482 1.00 2.43 O ATOM 0 H ASP A 476 8.304 8.624 -3.455 1.00 0.88 H new ATOM 0 HA ASP A 476 6.000 10.091 -2.995 1.00 0.98 H new ATOM 0 HB2 ASP A 476 6.488 8.742 -5.647 1.00 1.36 H new ATOM 0 HB3 ASP A 476 5.836 10.337 -5.328 1.00 1.36 H new ATOM 251 N ARG A 477 5.572 6.950 -3.875 1.00 0.89 N ATOM 252 CA ARG A 477 4.632 5.855 -4.008 1.00 0.96 C ATOM 253 C ARG A 477 3.964 5.575 -2.693 1.00 0.80 C ATOM 254 O ARG A 477 2.765 5.343 -2.646 1.00 0.85 O ATOM 255 CB ARG A 477 5.343 4.604 -4.481 1.00 1.23 C ATOM 256 CG ARG A 477 5.054 4.227 -5.916 1.00 1.57 C ATOM 257 CD ARG A 477 5.343 5.363 -6.897 1.00 1.89 C ATOM 258 NE ARG A 477 6.574 6.093 -6.578 1.00 1.95 N ATOM 259 CZ ARG A 477 7.648 6.146 -7.369 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.675 5.466 -8.505 1.00 2.96 N ATOM 261 NH2 ARG A 477 8.693 6.894 -7.023 1.00 2.98 N ATOM 0 H ARG A 477 6.548 6.682 -4.002 1.00 0.89 H new ATOM 0 HA ARG A 477 3.879 6.142 -4.742 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.418 4.745 -4.364 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.059 3.773 -3.835 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.654 3.358 -6.186 1.00 1.57 H new ATOM 0 HG3 ARG A 477 4.008 3.933 -6.006 1.00 1.57 H new ATOM 0 HD2 ARG A 477 5.419 4.955 -7.905 1.00 1.89 H new ATOM 0 HD3 ARG A 477 4.504 6.059 -6.897 1.00 1.89 H new ATOM 0 HE ARG A 477 6.612 6.595 -5.691 1.00 1.95 H new ATOM 0 HH11 ARG A 477 6.873 4.899 -8.779 1.00 2.96 H new ATOM 0 HH12 ARG A 477 8.498 5.510 -9.106 1.00 2.96 H new ATOM 0 HH21 ARG A 477 8.673 7.427 -6.153 1.00 2.98 H new ATOM 0 HH22 ARG A 477 9.514 6.934 -7.627 1.00 2.98 H new ATOM 275 N LYS A 478 4.742 5.591 -1.622 1.00 0.77 N ATOM 276 CA LYS A 478 4.188 5.394 -0.312 1.00 0.90 C ATOM 277 C LYS A 478 3.079 6.395 -0.044 1.00 0.74 C ATOM 278 O LYS A 478 1.961 6.022 0.289 1.00 0.80 O ATOM 279 CB LYS A 478 5.255 5.540 0.760 1.00 1.21 C ATOM 280 CG LYS A 478 6.303 4.453 0.746 1.00 1.27 C ATOM 281 CD LYS A 478 7.198 4.584 1.957 1.00 1.66 C ATOM 282 CE LYS A 478 8.342 5.549 1.721 1.00 1.97 C ATOM 283 NZ LYS A 478 9.517 4.856 1.145 1.00 2.30 N ATOM 0 H LYS A 478 5.751 5.738 -1.644 1.00 0.77 H new ATOM 0 HA LYS A 478 3.783 4.383 -0.278 1.00 0.90 H new ATOM 0 HB2 LYS A 478 5.747 6.505 0.637 1.00 1.21 H new ATOM 0 HB3 LYS A 478 4.772 5.551 1.737 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.824 3.474 0.742 1.00 1.27 H new ATOM 0 HG3 LYS A 478 6.897 4.521 -0.165 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.608 4.924 2.808 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.599 3.605 2.218 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.019 6.343 1.048 1.00 1.97 H new ATOM 0 HE3 LYS A 478 8.621 6.023 2.662 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 10.273 5.547 0.963 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 9.859 4.138 1.815 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 9.246 4.396 0.253 1.00 2.30 H new ATOM 297 N ARG A 479 3.398 7.670 -0.215 1.00 0.71 N ATOM 298 CA ARG A 479 2.444 8.732 0.066 1.00 0.86 C ATOM 299 C ARG A 479 1.274 8.695 -0.919 1.00 0.80 C ATOM 300 O ARG A 479 0.112 8.843 -0.530 1.00 0.90 O ATOM 301 CB ARG A 479 3.143 10.087 -0.002 1.00 1.09 C ATOM 302 CG ARG A 479 4.342 10.209 0.924 1.00 1.22 C ATOM 303 CD ARG A 479 4.843 11.641 0.999 1.00 1.88 C ATOM 304 NE ARG A 479 4.307 12.344 2.164 1.00 2.47 N ATOM 305 CZ ARG A 479 3.667 13.509 2.119 1.00 3.27 C ATOM 306 NH1 ARG A 479 3.373 14.074 0.954 1.00 3.65 N ATOM 307 NH2 ARG A 479 3.301 14.095 3.251 1.00 4.14 N ATOM 0 H ARG A 479 4.307 7.993 -0.546 1.00 0.71 H new ATOM 0 HA ARG A 479 2.047 8.580 1.070 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.468 10.266 -1.027 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.424 10.868 0.245 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.069 9.865 1.922 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.143 9.560 0.571 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.932 11.643 1.043 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.559 12.173 0.091 1.00 1.88 H new ATOM 0 HE ARG A 479 4.433 11.909 3.078 1.00 2.47 H new ATOM 0 HH11 ARG A 479 3.638 13.614 0.083 1.00 3.65 H new ATOM 0 HH12 ARG A 479 2.882 14.968 0.930 1.00 3.65 H new ATOM 0 HH21 ARG A 479 3.511 13.652 4.146 1.00 4.14 H new ATOM 0 HH22 ARG A 479 2.810 14.989 3.227 1.00 4.14 H new ATOM 321 N TYR A 480 1.591 8.484 -2.192 1.00 0.83 N ATOM 322 CA TYR A 480 0.587 8.444 -3.245 1.00 1.03 C ATOM 323 C TYR A 480 -0.371 7.264 -3.037 1.00 0.82 C ATOM 324 O TYR A 480 -1.593 7.434 -2.915 1.00 0.82 O ATOM 325 CB TYR A 480 1.270 8.332 -4.613 1.00 1.44 C ATOM 326 CG TYR A 480 0.310 8.247 -5.777 1.00 1.81 C ATOM 327 CD1 TYR A 480 -0.534 9.305 -6.079 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.252 7.110 -6.574 1.00 2.00 C ATOM 329 CE1 TYR A 480 -1.410 9.237 -7.145 1.00 2.45 C ATOM 330 CE2 TYR A 480 -0.621 7.033 -7.643 1.00 2.36 C ATOM 331 CZ TYR A 480 -1.462 8.079 -7.913 1.00 2.55 C ATOM 332 OH TYR A 480 -2.317 8.032 -8.991 1.00 2.93 O ATOM 0 H TYR A 480 2.546 8.337 -2.520 1.00 0.83 H new ATOM 0 HA TYR A 480 0.008 9.367 -3.207 1.00 1.03 H new ATOM 0 HB2 TYR A 480 1.920 9.196 -4.754 1.00 1.44 H new ATOM 0 HB3 TYR A 480 1.908 7.448 -4.617 1.00 1.44 H new ATOM 0 HD1 TYR A 480 -0.506 10.197 -5.471 1.00 2.09 H new ATOM 0 HD2 TYR A 480 0.899 6.274 -6.355 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -2.049 10.076 -7.380 1.00 2.45 H new ATOM 0 HE2 TYR A 480 -0.640 6.150 -8.264 1.00 2.36 H new ATOM 0 HH TYR A 480 -2.241 7.159 -9.431 1.00 2.93 H new ATOM 342 N LEU A 481 0.204 6.071 -2.956 1.00 0.91 N ATOM 343 CA LEU A 481 -0.571 4.844 -2.877 1.00 1.15 C ATOM 344 C LEU A 481 -1.278 4.710 -1.538 1.00 1.03 C ATOM 345 O LEU A 481 -2.288 4.036 -1.454 1.00 1.19 O ATOM 346 CB LEU A 481 0.313 3.619 -3.122 1.00 1.66 C ATOM 347 CG LEU A 481 0.933 3.528 -4.518 1.00 2.09 C ATOM 348 CD1 LEU A 481 1.834 2.310 -4.623 1.00 2.68 C ATOM 349 CD2 LEU A 481 -0.152 3.473 -5.581 1.00 2.73 C ATOM 0 H LEU A 481 1.214 5.929 -2.943 1.00 0.91 H new ATOM 0 HA LEU A 481 -1.329 4.896 -3.659 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.116 3.618 -2.385 1.00 1.66 H new ATOM 0 HB3 LEU A 481 -0.281 2.722 -2.947 1.00 1.66 H new ATOM 0 HG LEU A 481 1.536 4.421 -4.683 1.00 2.09 H new ATOM 0 HD11 LEU A 481 2.266 2.262 -5.623 1.00 2.68 H new ATOM 0 HD12 LEU A 481 2.633 2.384 -3.886 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.250 1.409 -4.436 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.308 3.409 -6.567 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -0.780 2.597 -5.415 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -0.763 4.374 -5.524 1.00 2.73 H new ATOM 361 N MET A 482 -0.747 5.333 -0.493 1.00 1.05 N ATOM 362 CA MET A 482 -1.420 5.320 0.806 1.00 1.49 C ATOM 363 C MET A 482 -2.676 6.161 0.723 1.00 1.39 C ATOM 364 O MET A 482 -3.730 5.762 1.203 1.00 1.65 O ATOM 365 CB MET A 482 -0.491 5.833 1.917 1.00 2.05 C ATOM 366 CG MET A 482 -1.000 5.585 3.333 1.00 3.10 C ATOM 367 SD MET A 482 -2.291 6.737 3.851 1.00 4.00 S ATOM 368 CE MET A 482 -1.406 8.293 3.780 1.00 4.93 C ATOM 0 H MET A 482 0.134 5.847 -0.514 1.00 1.05 H new ATOM 0 HA MET A 482 -1.688 4.294 1.057 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.484 5.357 1.806 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.340 6.904 1.781 1.00 2.05 H new ATOM 0 HG2 MET A 482 -1.385 4.568 3.398 1.00 3.10 H new ATOM 0 HG3 MET A 482 -0.163 5.654 4.028 1.00 3.10 H new ATOM 0 HE1 MET A 482 -1.635 8.883 4.668 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.334 8.100 3.739 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.710 8.844 2.890 1.00 4.93 H new ATOM 378 N THR A 483 -2.560 7.308 0.072 1.00 1.25 N ATOM 379 CA THR A 483 -3.704 8.173 -0.150 1.00 1.59 C ATOM 380 C THR A 483 -4.765 7.448 -0.980 1.00 1.32 C ATOM 381 O THR A 483 -5.967 7.647 -0.796 1.00 1.59 O ATOM 382 CB THR A 483 -3.267 9.478 -0.844 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.237 10.108 -0.067 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.433 10.439 -1.012 1.00 2.46 C ATOM 0 H THR A 483 -1.683 7.660 -0.312 1.00 1.25 H new ATOM 0 HA THR A 483 -4.139 8.430 0.816 1.00 1.59 H new ATOM 0 HB THR A 483 -2.892 9.226 -1.836 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.380 9.665 -0.240 1.00 2.27 H new ATOM 0 HG21 THR A 483 -4.087 11.348 -1.505 1.00 2.46 H new ATOM 0 HG22 THR A 483 -5.207 9.969 -1.619 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.842 10.690 -0.033 1.00 2.46 H new ATOM 392 N LEU A 484 -4.306 6.592 -1.883 1.00 0.92 N ATOM 393 CA LEU A 484 -5.210 5.750 -2.662 1.00 0.90 C ATOM 394 C LEU A 484 -5.787 4.613 -1.810 1.00 0.84 C ATOM 395 O LEU A 484 -7.004 4.457 -1.718 1.00 0.91 O ATOM 396 CB LEU A 484 -4.497 5.168 -3.885 1.00 1.15 C ATOM 397 CG LEU A 484 -4.019 6.192 -4.915 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.358 5.489 -6.087 1.00 2.28 C ATOM 399 CD2 LEU A 484 -5.180 7.051 -5.392 1.00 2.20 C ATOM 0 H LEU A 484 -3.317 6.461 -2.095 1.00 0.92 H new ATOM 0 HA LEU A 484 -6.032 6.382 -2.998 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.636 4.593 -3.543 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -5.172 4.469 -4.379 1.00 1.15 H new ATOM 0 HG LEU A 484 -3.284 6.844 -4.442 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -3.022 6.229 -6.813 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -2.502 4.915 -5.731 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -4.074 4.817 -6.559 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.821 7.774 -6.124 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.938 6.416 -5.850 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -5.614 7.580 -4.543 1.00 2.20 H new ATOM 411 N LEU A 485 -4.907 3.831 -1.179 1.00 1.02 N ATOM 412 CA LEU A 485 -5.325 2.684 -0.376 1.00 1.47 C ATOM 413 C LEU A 485 -6.297 3.111 0.702 1.00 1.75 C ATOM 414 O LEU A 485 -7.279 2.425 0.965 1.00 1.92 O ATOM 415 CB LEU A 485 -4.119 1.995 0.265 1.00 1.90 C ATOM 416 CG LEU A 485 -3.199 1.255 -0.703 1.00 2.48 C ATOM 417 CD1 LEU A 485 -1.968 0.742 0.022 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.943 0.108 -1.366 1.00 3.10 C ATOM 0 H LEU A 485 -3.898 3.974 -1.210 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.820 1.978 -1.043 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.533 2.745 0.796 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.480 1.286 1.010 1.00 1.90 H new ATOM 0 HG LEU A 485 -2.877 1.952 -1.477 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -1.323 0.217 -0.683 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -1.425 1.582 0.455 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.271 0.058 0.815 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.274 -0.410 -2.053 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.291 -0.589 -0.604 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -4.798 0.499 -1.917 1.00 3.10 H new ATOM 430 N ASP A 486 -6.018 4.261 1.293 1.00 1.95 N ATOM 431 CA ASP A 486 -6.866 4.843 2.329 1.00 2.47 C ATOM 432 C ASP A 486 -8.337 4.897 1.899 1.00 2.33 C ATOM 433 O ASP A 486 -9.240 4.757 2.729 1.00 2.75 O ATOM 434 CB ASP A 486 -6.368 6.248 2.663 1.00 2.90 C ATOM 435 CG ASP A 486 -7.068 6.855 3.852 1.00 3.47 C ATOM 436 OD1 ASP A 486 -6.812 6.414 4.990 1.00 3.72 O ATOM 437 OD2 ASP A 486 -7.887 7.766 3.655 1.00 3.86 O ATOM 0 H ASP A 486 -5.196 4.821 1.070 1.00 1.95 H new ATOM 0 HA ASP A 486 -6.806 4.206 3.212 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.297 6.210 2.860 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.510 6.893 1.796 1.00 2.90 H new ATOM 442 N ASP A 487 -8.577 5.077 0.602 1.00 1.85 N ATOM 443 CA ASP A 487 -9.940 5.133 0.083 1.00 1.83 C ATOM 444 C ASP A 487 -10.176 4.089 -1.006 1.00 1.35 C ATOM 445 O ASP A 487 -11.114 4.215 -1.793 1.00 1.40 O ATOM 446 CB ASP A 487 -10.273 6.527 -0.460 1.00 2.05 C ATOM 447 CG ASP A 487 -10.540 7.534 0.639 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.491 7.332 1.420 1.00 2.59 O ATOM 449 OD2 ASP A 487 -9.789 8.524 0.742 1.00 2.77 O ATOM 0 H ASP A 487 -7.849 5.186 -0.105 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.601 4.912 0.921 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.446 6.879 -1.077 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -11.148 6.461 -1.107 1.00 2.05 H new ATOM 454 N ILE A 488 -9.315 3.071 -1.071 1.00 1.14 N ATOM 455 CA ILE A 488 -9.536 1.950 -1.989 1.00 1.13 C ATOM 456 C ILE A 488 -10.885 1.284 -1.720 1.00 1.43 C ATOM 457 O ILE A 488 -11.606 0.935 -2.657 1.00 2.27 O ATOM 458 CB ILE A 488 -8.398 0.896 -1.917 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.169 1.385 -2.688 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.851 -0.459 -2.452 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.441 1.702 -4.146 1.00 1.67 C ATOM 0 H ILE A 488 -8.468 2.999 -0.507 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.537 2.365 -2.997 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.133 0.768 -0.867 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.778 2.278 -2.200 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.391 0.624 -2.631 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.028 -1.170 -2.385 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.692 -0.821 -1.861 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.157 -0.355 -3.493 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.521 2.042 -4.622 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.802 0.807 -4.652 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.195 2.486 -4.213 1.00 1.67 H new ATOM 473 N LYS A 489 -11.210 1.127 -0.433 1.00 1.42 N ATOM 474 CA LYS A 489 -12.504 0.592 0.014 1.00 1.75 C ATOM 475 C LYS A 489 -12.624 -0.915 -0.243 1.00 1.29 C ATOM 476 O LYS A 489 -12.986 -1.672 0.659 1.00 1.88 O ATOM 477 CB LYS A 489 -13.664 1.343 -0.654 1.00 2.46 C ATOM 478 CG LYS A 489 -15.035 0.996 -0.090 1.00 3.04 C ATOM 479 CD LYS A 489 -15.185 1.471 1.347 1.00 3.88 C ATOM 480 CE LYS A 489 -16.592 1.231 1.870 1.00 4.70 C ATOM 481 NZ LYS A 489 -16.928 -0.215 1.951 1.00 5.28 N ATOM 0 H LYS A 489 -10.581 1.368 0.333 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.559 0.746 1.092 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.499 2.415 -0.546 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.657 1.126 -1.722 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -15.809 1.452 -0.707 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -15.185 -0.083 -0.135 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.467 0.950 1.980 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.950 2.534 1.406 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -16.691 1.680 2.858 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -17.309 1.732 1.219 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -17.856 -0.331 2.407 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -16.960 -0.618 0.993 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -16.204 -0.709 2.510 1.00 5.28 H new ATOM 495 N GLY A 490 -12.325 -1.340 -1.465 1.00 0.91 N ATOM 496 CA GLY A 490 -12.431 -2.742 -1.825 1.00 0.96 C ATOM 497 C GLY A 490 -11.366 -3.600 -1.168 1.00 0.67 C ATOM 498 O GLY A 490 -10.170 -3.325 -1.294 1.00 0.69 O ATOM 0 H GLY A 490 -12.008 -0.732 -2.220 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.416 -3.112 -1.540 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.354 -2.841 -2.908 1.00 0.96 H new ATOM 502 N ALA A 491 -11.805 -4.647 -0.478 1.00 0.70 N ATOM 503 CA ALA A 491 -10.908 -5.522 0.264 1.00 0.84 C ATOM 504 C ALA A 491 -10.016 -6.333 -0.669 1.00 0.71 C ATOM 505 O ALA A 491 -8.854 -6.584 -0.360 1.00 0.69 O ATOM 506 CB ALA A 491 -11.705 -6.450 1.168 1.00 1.22 C ATOM 0 H ALA A 491 -12.788 -4.911 -0.418 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.263 -4.893 0.877 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.022 -7.098 1.717 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.289 -5.858 1.873 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.376 -7.059 0.563 1.00 1.22 H new ATOM 512 N ASN A 492 -10.559 -6.740 -1.804 1.00 0.73 N ATOM 513 CA ASN A 492 -9.802 -7.523 -2.772 1.00 0.78 C ATOM 514 C ASN A 492 -8.588 -6.748 -3.269 1.00 0.65 C ATOM 515 O ASN A 492 -7.485 -7.293 -3.359 1.00 0.67 O ATOM 516 CB ASN A 492 -10.692 -7.921 -3.955 1.00 1.00 C ATOM 517 CG ASN A 492 -9.928 -8.641 -5.052 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.478 -8.027 -6.023 1.00 2.38 O ATOM 519 ND2 ASN A 492 -9.771 -9.946 -4.906 1.00 2.19 N ATOM 0 H ASN A 492 -11.521 -6.542 -2.080 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.453 -8.427 -2.273 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.497 -8.563 -3.598 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.158 -7.027 -4.370 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.263 -10.481 -5.611 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.158 -10.418 -4.089 1.00 2.19 H new ATOM 526 N ASP A 493 -8.791 -5.471 -3.556 1.00 0.63 N ATOM 527 CA ASP A 493 -7.733 -4.637 -4.107 1.00 0.69 C ATOM 528 C ASP A 493 -6.681 -4.288 -3.062 1.00 0.62 C ATOM 529 O ASP A 493 -5.488 -4.351 -3.342 1.00 0.66 O ATOM 530 CB ASP A 493 -8.305 -3.364 -4.727 1.00 0.86 C ATOM 531 CG ASP A 493 -9.077 -3.643 -6.000 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.441 -3.854 -7.053 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.325 -3.647 -5.957 1.00 1.97 O ATOM 0 H ASP A 493 -9.679 -4.989 -3.416 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.245 -5.219 -4.889 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.960 -2.874 -4.007 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.492 -2.670 -4.942 1.00 0.86 H new ATOM 538 N LEU A 494 -7.104 -3.928 -1.856 1.00 0.61 N ATOM 539 CA LEU A 494 -6.144 -3.587 -0.809 1.00 0.69 C ATOM 540 C LEU A 494 -5.357 -4.824 -0.371 1.00 0.57 C ATOM 541 O LEU A 494 -4.161 -4.745 -0.070 1.00 0.56 O ATOM 542 CB LEU A 494 -6.832 -2.891 0.381 1.00 0.91 C ATOM 543 CG LEU A 494 -8.094 -3.562 0.936 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.751 -4.699 1.886 1.00 1.74 C ATOM 545 CD2 LEU A 494 -8.971 -2.536 1.634 1.00 1.77 C ATOM 0 H LEU A 494 -8.084 -3.865 -1.580 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.431 -2.873 -1.222 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -6.107 -2.807 1.191 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -7.091 -1.877 0.078 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.643 -3.987 0.096 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.670 -5.151 2.259 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -7.166 -5.451 1.357 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.171 -4.311 2.723 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -9.864 -3.025 2.024 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -8.417 -2.083 2.456 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -9.262 -1.762 0.923 1.00 1.77 H new ATOM 557 N ALA A 495 -6.014 -5.977 -0.381 1.00 0.56 N ATOM 558 CA ALA A 495 -5.359 -7.219 -0.008 1.00 0.59 C ATOM 559 C ALA A 495 -4.354 -7.636 -1.077 1.00 0.55 C ATOM 560 O ALA A 495 -3.287 -8.165 -0.758 1.00 0.58 O ATOM 561 CB ALA A 495 -6.382 -8.318 0.226 1.00 0.68 C ATOM 0 H ALA A 495 -6.995 -6.075 -0.642 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.819 -7.055 0.925 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.870 -9.239 0.504 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -7.057 -8.022 1.029 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.954 -8.483 -0.687 1.00 0.68 H new ATOM 567 N LYS A 496 -4.683 -7.386 -2.348 1.00 0.59 N ATOM 568 CA LYS A 496 -3.767 -7.725 -3.430 1.00 0.68 C ATOM 569 C LYS A 496 -2.599 -6.748 -3.455 1.00 0.63 C ATOM 570 O LYS A 496 -1.493 -7.123 -3.810 1.00 0.65 O ATOM 571 CB LYS A 496 -4.480 -7.812 -4.801 1.00 0.85 C ATOM 572 CG LYS A 496 -5.014 -6.503 -5.380 1.00 1.29 C ATOM 573 CD LYS A 496 -3.907 -5.637 -5.969 1.00 1.77 C ATOM 574 CE LYS A 496 -4.457 -4.409 -6.678 1.00 2.53 C ATOM 575 NZ LYS A 496 -5.209 -4.757 -7.910 1.00 2.98 N ATOM 0 H LYS A 496 -5.560 -6.958 -2.645 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.374 -8.723 -3.235 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -3.784 -8.243 -5.520 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.314 -8.508 -4.708 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -5.750 -6.724 -6.153 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.531 -5.946 -4.598 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -3.231 -5.323 -5.174 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.320 -6.228 -6.672 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -5.111 -3.863 -5.998 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -3.634 -3.741 -6.934 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -5.388 -3.894 -8.463 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -4.651 -5.424 -8.480 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -6.115 -5.196 -7.651 1.00 2.98 H new ATOM 589 N PHE A 497 -2.850 -5.495 -3.061 1.00 0.64 N ATOM 590 CA PHE A 497 -1.777 -4.513 -2.921 1.00 0.70 C ATOM 591 C PHE A 497 -0.881 -4.901 -1.758 1.00 0.62 C ATOM 592 O PHE A 497 0.327 -4.644 -1.766 1.00 0.67 O ATOM 593 CB PHE A 497 -2.331 -3.099 -2.697 1.00 0.84 C ATOM 594 CG PHE A 497 -2.649 -2.356 -3.964 1.00 0.98 C ATOM 595 CD1 PHE A 497 -1.665 -2.129 -4.913 1.00 1.34 C ATOM 596 CD2 PHE A 497 -3.923 -1.865 -4.200 1.00 1.27 C ATOM 597 CE1 PHE A 497 -1.945 -1.430 -6.072 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.211 -1.167 -5.357 1.00 1.72 C ATOM 599 CZ PHE A 497 -3.220 -0.950 -6.295 1.00 1.82 C ATOM 0 H PHE A 497 -3.780 -5.142 -2.836 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.203 -4.506 -3.848 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.235 -3.166 -2.092 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.605 -2.523 -2.123 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -0.666 -2.503 -4.745 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.701 -2.030 -3.470 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -1.168 -1.260 -6.802 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.209 -0.792 -5.528 1.00 1.72 H new ATOM 0 HZ PHE A 497 -3.442 -0.406 -7.201 1.00 1.82 H new ATOM 609 N HIS A 498 -1.482 -5.547 -0.767 1.00 0.57 N ATOM 610 CA HIS A 498 -0.748 -6.013 0.393 1.00 0.62 C ATOM 611 C HIS A 498 0.184 -7.119 -0.037 1.00 0.54 C ATOM 612 O HIS A 498 1.396 -6.980 0.071 1.00 0.56 O ATOM 613 CB HIS A 498 -1.684 -6.502 1.508 1.00 0.75 C ATOM 614 CG HIS A 498 -0.955 -7.016 2.718 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.971 -8.337 3.109 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.174 -6.373 3.620 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.240 -8.484 4.197 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.256 -7.309 4.528 1.00 1.69 N ATOM 0 H HIS A 498 -2.480 -5.759 -0.747 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.179 -5.179 0.803 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.338 -5.683 1.808 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.323 -7.293 1.115 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.066 -5.320 3.624 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.076 -9.411 4.727 1.00 1.85 H new ATOM 0 HE2 HIS A 498 0.861 -7.125 5.328 1.00 1.69 H new ATOM 627 N GLN A 499 -0.396 -8.198 -0.558 1.00 0.54 N ATOM 628 CA GLN A 499 0.384 -9.316 -1.073 1.00 0.60 C ATOM 629 C GLN A 499 1.421 -8.810 -2.061 1.00 0.53 C ATOM 630 O GLN A 499 2.560 -9.275 -2.076 1.00 0.54 O ATOM 631 CB GLN A 499 -0.518 -10.333 -1.774 1.00 0.77 C ATOM 632 CG GLN A 499 -1.545 -10.988 -0.868 1.00 1.43 C ATOM 633 CD GLN A 499 -2.396 -12.005 -1.603 1.00 2.00 C ATOM 634 OE1 GLN A 499 -2.051 -13.184 -1.675 1.00 2.63 O ATOM 635 NE2 GLN A 499 -3.518 -11.561 -2.144 1.00 2.58 N ATOM 0 H GLN A 499 -1.406 -8.320 -0.634 1.00 0.54 H new ATOM 0 HA GLN A 499 0.877 -9.801 -0.231 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.038 -9.836 -2.593 1.00 0.77 H new ATOM 0 HB3 GLN A 499 0.106 -11.109 -2.217 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.035 -11.477 -0.038 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -2.189 -10.221 -0.439 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -3.769 -10.576 -2.062 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -4.133 -12.204 -2.643 1.00 2.58 H new ATOM 644 N MET A 500 1.013 -7.830 -2.859 1.00 0.54 N ATOM 645 CA MET A 500 1.854 -7.273 -3.899 1.00 0.63 C ATOM 646 C MET A 500 3.206 -6.839 -3.344 1.00 0.57 C ATOM 647 O MET A 500 4.218 -7.517 -3.536 1.00 0.58 O ATOM 648 CB MET A 500 1.167 -6.084 -4.576 1.00 0.80 C ATOM 649 CG MET A 500 1.920 -5.537 -5.779 1.00 1.26 C ATOM 650 SD MET A 500 1.095 -4.116 -6.520 1.00 1.91 S ATOM 651 CE MET A 500 2.193 -3.770 -7.893 1.00 2.52 C ATOM 0 H MET A 500 0.089 -7.403 -2.799 1.00 0.54 H new ATOM 0 HA MET A 500 2.019 -8.056 -4.639 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.169 -6.386 -4.892 1.00 0.80 H new ATOM 0 HB3 MET A 500 1.042 -5.285 -3.845 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.927 -5.251 -5.474 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.025 -6.323 -6.527 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.818 -2.913 -8.452 1.00 2.52 H new ATOM 0 HE2 MET A 500 3.190 -3.547 -7.514 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.240 -4.639 -8.549 1.00 2.52 H new ATOM 661 N LEU A 501 3.218 -5.732 -2.619 1.00 0.59 N ATOM 662 CA LEU A 501 4.472 -5.147 -2.184 1.00 0.65 C ATOM 663 C LEU A 501 5.053 -5.878 -0.979 1.00 0.56 C ATOM 664 O LEU A 501 6.268 -5.881 -0.790 1.00 0.62 O ATOM 665 CB LEU A 501 4.303 -3.665 -1.863 1.00 0.85 C ATOM 666 CG LEU A 501 3.750 -2.808 -3.004 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.594 -1.365 -2.562 1.00 2.09 C ATOM 668 CD2 LEU A 501 4.655 -2.889 -4.224 1.00 1.91 C ATOM 0 H LEU A 501 2.383 -5.227 -2.323 1.00 0.59 H new ATOM 0 HA LEU A 501 5.174 -5.251 -3.012 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.639 -3.570 -1.004 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.271 -3.262 -1.564 1.00 0.85 H new ATOM 0 HG LEU A 501 2.768 -3.197 -3.274 1.00 1.30 H new ATOM 0 HD11 LEU A 501 3.200 -0.772 -3.387 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.906 -1.315 -1.718 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.564 -0.969 -2.262 1.00 2.09 H new ATOM 0 HD21 LEU A 501 4.244 -2.273 -5.024 1.00 1.91 H new ATOM 0 HD22 LEU A 501 5.650 -2.529 -3.963 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.720 -3.924 -4.561 1.00 1.91 H new ATOM 680 N VAL A 502 4.205 -6.508 -0.168 1.00 0.53 N ATOM 681 CA VAL A 502 4.703 -7.199 1.012 1.00 0.64 C ATOM 682 C VAL A 502 5.490 -8.437 0.598 1.00 0.61 C ATOM 683 O VAL A 502 6.441 -8.816 1.266 1.00 0.73 O ATOM 684 CB VAL A 502 3.586 -7.584 2.020 1.00 0.86 C ATOM 685 CG1 VAL A 502 2.900 -8.890 1.647 1.00 1.11 C ATOM 686 CG2 VAL A 502 4.147 -7.664 3.431 1.00 1.02 C ATOM 0 H VAL A 502 3.195 -6.553 -0.303 1.00 0.53 H new ATOM 0 HA VAL A 502 5.356 -6.498 1.531 1.00 0.64 H new ATOM 0 HB VAL A 502 2.831 -6.799 1.980 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.127 -9.117 2.381 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.447 -8.794 0.660 1.00 1.11 H new ATOM 0 HG13 VAL A 502 3.634 -9.695 1.632 1.00 1.11 H new ATOM 0 HG21 VAL A 502 3.351 -7.935 4.124 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.933 -8.419 3.468 1.00 1.02 H new ATOM 0 HG23 VAL A 502 4.560 -6.696 3.714 1.00 1.02 H new ATOM 696 N LYS A 503 5.110 -9.055 -0.518 1.00 0.58 N ATOM 697 CA LYS A 503 5.879 -10.171 -1.037 1.00 0.71 C ATOM 698 C LYS A 503 7.041 -9.663 -1.886 1.00 0.69 C ATOM 699 O LYS A 503 8.088 -10.299 -1.949 1.00 0.84 O ATOM 700 CB LYS A 503 4.994 -11.140 -1.829 1.00 0.88 C ATOM 701 CG LYS A 503 3.941 -11.823 -0.968 1.00 1.35 C ATOM 702 CD LYS A 503 3.140 -12.850 -1.752 1.00 1.44 C ATOM 703 CE LYS A 503 2.037 -13.455 -0.898 1.00 2.04 C ATOM 704 NZ LYS A 503 1.305 -14.545 -1.599 1.00 2.54 N ATOM 0 H LYS A 503 4.289 -8.804 -1.068 1.00 0.58 H new ATOM 0 HA LYS A 503 6.287 -10.726 -0.192 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.500 -10.597 -2.634 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.622 -11.899 -2.295 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.426 -12.311 -0.122 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.265 -11.072 -0.559 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.704 -12.380 -2.634 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.803 -13.639 -2.107 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.469 -13.846 0.023 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.333 -12.673 -0.613 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 0.564 -14.923 -0.974 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 0.869 -14.169 -2.465 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 1.970 -15.305 -1.848 1.00 2.54 H new ATOM 718 N ILE A 504 6.866 -8.508 -2.531 1.00 0.62 N ATOM 719 CA ILE A 504 7.968 -7.882 -3.257 1.00 0.73 C ATOM 720 C ILE A 504 9.149 -7.613 -2.320 1.00 0.73 C ATOM 721 O ILE A 504 10.303 -7.859 -2.673 1.00 0.85 O ATOM 722 CB ILE A 504 7.540 -6.572 -3.963 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.645 -6.895 -5.164 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.758 -5.771 -4.409 1.00 1.34 C ATOM 725 CD1 ILE A 504 6.177 -5.674 -5.929 1.00 1.75 C ATOM 0 H ILE A 504 5.985 -7.995 -2.565 1.00 0.62 H new ATOM 0 HA ILE A 504 8.276 -8.585 -4.031 1.00 0.73 H new ATOM 0 HB ILE A 504 6.978 -5.964 -3.254 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.189 -7.551 -5.844 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.773 -7.449 -4.816 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.431 -4.856 -4.902 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.365 -5.518 -3.540 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.350 -6.366 -5.104 1.00 1.34 H new ATOM 0 HD11 ILE A 504 5.549 -5.986 -6.763 1.00 1.75 H new ATOM 0 HD12 ILE A 504 5.604 -5.027 -5.265 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.041 -5.130 -6.309 1.00 1.75 H new ATOM 737 N ILE A 505 8.852 -7.140 -1.119 1.00 0.71 N ATOM 738 CA ILE A 505 9.890 -6.833 -0.145 1.00 0.85 C ATOM 739 C ILE A 505 10.273 -8.067 0.673 1.00 0.97 C ATOM 740 O ILE A 505 11.452 -8.412 0.778 1.00 1.20 O ATOM 741 CB ILE A 505 9.446 -5.703 0.813 1.00 1.10 C ATOM 742 CG1 ILE A 505 9.114 -4.431 0.025 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.524 -5.419 1.854 1.00 1.83 C ATOM 744 CD1 ILE A 505 10.272 -3.892 -0.790 1.00 2.19 C ATOM 745 OXT ILE A 505 9.344 -8.700 1.222 1.00 1.58 O ATOM 0 H ILE A 505 7.902 -6.960 -0.795 1.00 0.71 H new ATOM 0 HA ILE A 505 10.761 -6.499 -0.709 1.00 0.85 H new ATOM 0 HB ILE A 505 8.547 -6.033 1.334 1.00 1.10 H new ATOM 0 HG12 ILE A 505 8.278 -4.637 -0.643 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.783 -3.660 0.721 1.00 1.49 H new ATOM 0 HG21 ILE A 505 10.189 -4.621 2.516 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.712 -6.320 2.438 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.442 -5.113 1.353 1.00 1.83 H new ATOM 0 HD11 ILE A 505 9.957 -2.992 -1.318 1.00 2.19 H new ATOM 0 HD12 ILE A 505 11.103 -3.652 -0.127 1.00 2.19 H new ATOM 0 HD13 ILE A 505 10.590 -4.644 -1.512 1.00 2.19 H new TER 757 ILE A 505