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 25:sc= 0.151 USER MOD Single : A 466 SER OG : rot -77:sc= -0.0948 USER MOD Single : A 469 LYS NZ :NH3+ -125:sc= 0.466 (180deg=-0.573) USER MOD Single : A 470 SER OG : rot -41:sc= 0.0324 USER MOD Single : A 471 SER OG : rot 61:sc= 1.2 USER MOD Single : A 478 LYS NZ :NH3+ -171:sc= 0.702 (180deg=0.67) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 152:sc= -0.267 (180deg=-1.32!) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ -166:sc= -0.0252 (180deg=-0.227) USER MOD Single : A 492 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.6!) USER MOD Single : A 496 LYS NZ :NH3+ 170:sc= -0.0122 (180deg=-0.111) USER MOD Single : A 498 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.022) USER MOD Single : A 499 GLN : amide:sc= -0.0488 K(o=-0.049,f=-1.6) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0579) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.440 0.861 8.201 1.00 1.77 N ATOM 2 CA SER A 462 -6.201 -0.554 8.073 1.00 1.60 C ATOM 3 C SER A 462 -4.771 -0.885 7.656 1.00 1.25 C ATOM 4 O SER A 462 -3.871 -0.027 7.656 1.00 1.09 O ATOM 5 CB SER A 462 -7.210 -1.152 7.089 1.00 1.97 C ATOM 6 OG SER A 462 -8.535 -0.833 7.482 1.00 2.70 O ATOM 0 HA SER A 462 -6.335 -1.000 9.058 1.00 1.60 H new ATOM 0 HB2 SER A 462 -7.020 -0.770 6.086 1.00 1.97 H new ATOM 0 HB3 SER A 462 -7.088 -2.234 7.046 1.00 1.97 H new ATOM 0 HG SER A 462 -8.528 -0.014 8.020 1.00 2.70 H new ATOM 14 N VAL A 463 -4.591 -2.142 7.320 1.00 1.25 N ATOM 15 CA VAL A 463 -3.303 -2.690 6.909 1.00 1.07 C ATOM 16 C VAL A 463 -2.662 -1.862 5.798 1.00 0.89 C ATOM 17 O VAL A 463 -1.461 -1.609 5.814 1.00 0.76 O ATOM 18 CB VAL A 463 -3.459 -4.148 6.420 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.109 -4.763 6.086 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.190 -4.987 7.459 1.00 1.50 C ATOM 0 H VAL A 463 -5.344 -2.830 7.322 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.655 -2.661 7.785 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.055 -4.134 5.507 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.251 -5.789 5.745 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.629 -4.182 5.299 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.478 -4.760 6.975 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.290 -6.010 7.096 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.624 -4.986 8.391 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.180 -4.566 7.635 1.00 1.50 H new ATOM 30 N ILE A 464 -3.466 -1.431 4.835 1.00 1.02 N ATOM 31 CA ILE A 464 -2.939 -0.714 3.686 1.00 1.02 C ATOM 32 C ILE A 464 -2.235 0.584 4.109 1.00 0.88 C ATOM 33 O ILE A 464 -1.060 0.787 3.786 1.00 0.84 O ATOM 34 CB ILE A 464 -4.039 -0.429 2.629 1.00 1.35 C ATOM 35 CG1 ILE A 464 -3.450 0.297 1.414 1.00 1.81 C ATOM 36 CG2 ILE A 464 -5.195 0.364 3.220 1.00 1.96 C ATOM 37 CD1 ILE A 464 -2.434 -0.526 0.651 1.00 2.72 C ATOM 0 H ILE A 464 -4.477 -1.565 4.828 1.00 1.02 H new ATOM 0 HA ILE A 464 -2.197 -1.362 3.220 1.00 1.02 H new ATOM 0 HB ILE A 464 -4.434 -1.390 2.301 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -4.260 0.576 0.740 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -2.980 1.222 1.747 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -5.945 0.544 2.449 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -5.643 -0.201 4.038 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -4.827 1.318 3.597 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -2.060 0.051 -0.195 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -1.605 -0.783 1.310 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -2.905 -1.439 0.288 1.00 2.72 H new ATOM 49 N ARG A 465 -2.920 1.432 4.875 1.00 0.94 N ATOM 50 CA ARG A 465 -2.356 2.727 5.239 1.00 0.95 C ATOM 51 C ARG A 465 -1.264 2.578 6.289 1.00 0.83 C ATOM 52 O ARG A 465 -0.370 3.420 6.385 1.00 0.90 O ATOM 53 CB ARG A 465 -3.445 3.677 5.734 1.00 1.18 C ATOM 54 CG ARG A 465 -2.992 5.127 5.845 1.00 1.57 C ATOM 55 CD ARG A 465 -4.181 6.071 5.922 1.00 1.81 C ATOM 56 NE ARG A 465 -3.782 7.470 6.091 1.00 2.13 N ATOM 57 CZ ARG A 465 -4.175 8.458 5.284 1.00 2.61 C ATOM 58 NH1 ARG A 465 -4.891 8.200 4.197 1.00 2.88 N ATOM 59 NH2 ARG A 465 -3.840 9.711 5.556 1.00 3.37 N ATOM 0 H ARG A 465 -3.851 1.249 5.249 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.907 3.154 4.342 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.297 3.623 5.056 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.793 3.339 6.710 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.370 5.249 6.731 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.375 5.385 4.984 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -4.776 5.974 5.014 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.820 5.777 6.754 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.168 7.703 6.871 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.147 7.239 3.971 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -5.186 8.963 3.588 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -3.281 9.921 6.383 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -4.141 10.465 4.938 1.00 3.37 H new ATOM 73 N SER A 466 -1.325 1.519 7.082 1.00 0.80 N ATOM 74 CA SER A 466 -0.283 1.288 8.066 1.00 0.87 C ATOM 75 C SER A 466 0.985 0.772 7.394 1.00 0.85 C ATOM 76 O SER A 466 2.070 1.323 7.588 1.00 1.03 O ATOM 77 CB SER A 466 -0.758 0.320 9.155 1.00 0.96 C ATOM 78 OG SER A 466 -1.171 -0.923 8.612 1.00 1.63 O ATOM 0 H SER A 466 -2.068 0.821 7.065 1.00 0.80 H new ATOM 0 HA SER A 466 -0.053 2.240 8.545 1.00 0.87 H new ATOM 0 HB2 SER A 466 0.048 0.154 9.870 1.00 0.96 H new ATOM 0 HB3 SER A 466 -1.585 0.769 9.705 1.00 0.96 H new ATOM 0 HG SER A 466 -2.058 -0.824 8.207 1.00 1.63 H new ATOM 84 N ILE A 467 0.835 -0.257 6.571 1.00 0.78 N ATOM 85 CA ILE A 467 1.972 -0.898 5.929 1.00 0.91 C ATOM 86 C ILE A 467 2.687 0.040 4.958 1.00 0.96 C ATOM 87 O ILE A 467 3.899 0.240 5.078 1.00 1.18 O ATOM 88 CB ILE A 467 1.563 -2.196 5.197 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.084 -3.246 6.207 1.00 1.14 C ATOM 90 CG2 ILE A 467 2.721 -2.746 4.368 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.109 -3.587 7.271 1.00 1.59 C ATOM 0 H ILE A 467 -0.068 -0.667 6.332 1.00 0.78 H new ATOM 0 HA ILE A 467 2.665 -1.155 6.730 1.00 0.91 H new ATOM 0 HB ILE A 467 0.744 -1.960 4.518 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.178 -2.883 6.692 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.815 -4.156 5.670 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.406 -3.659 3.864 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.020 -2.006 3.626 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.565 -2.966 5.022 1.00 1.24 H new ATOM 0 HD11 ILE A 467 1.696 -4.336 7.947 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.008 -3.982 6.797 1.00 1.59 H new ATOM 0 HD13 ILE A 467 2.361 -2.689 7.835 1.00 1.59 H new ATOM 103 N ILE A 468 1.960 0.635 4.012 1.00 0.87 N ATOM 104 CA ILE A 468 2.633 1.439 2.999 1.00 0.99 C ATOM 105 C ILE A 468 3.292 2.658 3.641 1.00 1.08 C ATOM 106 O ILE A 468 4.434 2.970 3.331 1.00 1.27 O ATOM 107 CB ILE A 468 1.725 1.826 1.790 1.00 1.02 C ATOM 108 CG1 ILE A 468 0.696 2.915 2.134 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.031 0.582 1.251 1.00 1.34 C ATOM 110 CD1 ILE A 468 -0.370 3.101 1.075 1.00 1.65 C ATOM 0 H ILE A 468 0.945 0.579 3.927 1.00 0.87 H new ATOM 0 HA ILE A 468 3.411 0.810 2.566 1.00 0.99 H new ATOM 0 HB ILE A 468 2.372 2.250 1.022 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.216 2.663 3.080 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.217 3.861 2.283 1.00 0.80 H new ATOM 0 HG21 ILE A 468 0.398 0.855 0.407 1.00 1.34 H new ATOM 0 HG22 ILE A 468 1.780 -0.140 0.924 1.00 1.34 H new ATOM 0 HG23 ILE A 468 0.418 0.138 2.036 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -1.060 3.885 1.387 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.099 3.384 0.133 1.00 1.65 H new ATOM 0 HD13 ILE A 468 -0.918 2.168 0.942 1.00 1.65 H new ATOM 122 N LYS A 469 2.621 3.292 4.607 1.00 1.04 N ATOM 123 CA LYS A 469 3.223 4.423 5.316 1.00 1.27 C ATOM 124 C LYS A 469 4.457 3.984 6.101 1.00 1.47 C ATOM 125 O LYS A 469 5.425 4.739 6.232 1.00 1.68 O ATOM 126 CB LYS A 469 2.230 5.090 6.267 1.00 1.35 C ATOM 127 CG LYS A 469 1.333 6.118 5.600 1.00 1.75 C ATOM 128 CD LYS A 469 0.486 6.850 6.626 1.00 1.96 C ATOM 129 CE LYS A 469 -0.261 8.017 6.005 1.00 2.66 C ATOM 130 NZ LYS A 469 0.659 9.057 5.477 1.00 2.97 N ATOM 0 H LYS A 469 1.679 3.047 4.911 1.00 1.04 H new ATOM 0 HA LYS A 469 3.517 5.148 4.557 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.607 4.321 6.724 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.782 5.573 7.073 1.00 1.35 H new ATOM 0 HG2 LYS A 469 1.942 6.834 5.049 1.00 1.75 H new ATOM 0 HG3 LYS A 469 0.686 5.625 4.874 1.00 1.75 H new ATOM 0 HD2 LYS A 469 -0.227 6.156 7.071 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.123 7.213 7.432 1.00 1.96 H new ATOM 0 HE2 LYS A 469 -0.895 7.651 5.197 1.00 2.66 H new ATOM 0 HE3 LYS A 469 -0.920 8.462 6.751 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 0.421 9.977 5.899 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.639 8.808 5.719 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 0.561 9.114 4.443 1.00 2.97 H new ATOM 144 N SER A 470 4.413 2.765 6.629 1.00 1.46 N ATOM 145 CA SER A 470 5.532 2.215 7.381 1.00 1.71 C ATOM 146 C SER A 470 6.629 1.719 6.436 1.00 1.82 C ATOM 147 O SER A 470 7.756 1.467 6.863 1.00 2.10 O ATOM 148 CB SER A 470 5.055 1.076 8.290 1.00 1.74 C ATOM 149 OG SER A 470 6.074 0.670 9.192 1.00 2.10 O ATOM 0 H SER A 470 3.612 2.139 6.549 1.00 1.46 H new ATOM 0 HA SER A 470 5.949 3.007 8.003 1.00 1.71 H new ATOM 0 HB2 SER A 470 4.178 1.399 8.851 1.00 1.74 H new ATOM 0 HB3 SER A 470 4.748 0.227 7.680 1.00 1.74 H new ATOM 0 HG SER A 470 6.934 0.643 8.723 1.00 2.10 H new ATOM 155 N SER A 471 6.303 1.581 5.153 1.00 1.68 N ATOM 156 CA SER A 471 7.287 1.164 4.162 1.00 1.90 C ATOM 157 C SER A 471 8.284 2.291 3.902 1.00 1.57 C ATOM 158 O SER A 471 8.038 3.184 3.093 1.00 1.83 O ATOM 159 CB SER A 471 6.589 0.743 2.865 1.00 2.65 C ATOM 160 OG SER A 471 5.698 -0.330 3.100 1.00 3.40 O ATOM 0 H SER A 471 5.370 1.751 4.778 1.00 1.68 H new ATOM 0 HA SER A 471 7.835 0.305 4.548 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.044 1.590 2.449 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.333 0.448 2.125 1.00 2.65 H new ATOM 0 HG SER A 471 5.005 -0.047 3.733 1.00 3.40 H new ATOM 166 N ARG A 472 9.420 2.238 4.590 1.00 1.77 N ATOM 167 CA ARG A 472 10.403 3.316 4.533 1.00 1.99 C ATOM 168 C ARG A 472 11.266 3.215 3.279 1.00 1.90 C ATOM 169 O ARG A 472 12.076 4.098 3.000 1.00 2.38 O ATOM 170 CB ARG A 472 11.289 3.304 5.784 1.00 2.75 C ATOM 171 CG ARG A 472 12.295 2.163 5.818 1.00 3.26 C ATOM 172 CD ARG A 472 13.044 2.113 7.140 1.00 3.92 C ATOM 173 NE ARG A 472 13.657 3.394 7.484 1.00 4.22 N ATOM 174 CZ ARG A 472 14.802 3.520 8.155 1.00 4.90 C ATOM 175 NH1 ARG A 472 15.512 2.450 8.490 1.00 5.31 N ATOM 176 NH2 ARG A 472 15.244 4.727 8.482 1.00 5.50 N ATOM 0 H ARG A 472 9.683 1.460 5.194 1.00 1.77 H new ATOM 0 HA ARG A 472 9.857 4.259 4.495 1.00 1.99 H new ATOM 0 HB2 ARG A 472 11.826 4.250 5.846 1.00 2.75 H new ATOM 0 HB3 ARG A 472 10.653 3.241 6.667 1.00 2.75 H new ATOM 0 HG2 ARG A 472 11.778 1.217 5.657 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.007 2.281 5.001 1.00 3.26 H new ATOM 0 HD2 ARG A 472 12.356 1.818 7.933 1.00 3.92 H new ATOM 0 HD3 ARG A 472 13.817 1.346 7.087 1.00 3.92 H new ATOM 0 HE ARG A 472 13.178 4.246 7.192 1.00 4.22 H new ATOM 0 HH11 ARG A 472 15.183 1.519 8.234 1.00 5.31 H new ATOM 0 HH12 ARG A 472 16.387 2.559 9.003 1.00 5.31 H new ATOM 0 HH21 ARG A 472 14.708 5.555 8.220 1.00 5.50 H new ATOM 0 HH22 ARG A 472 16.120 4.828 8.995 1.00 5.50 H new ATOM 190 N LEU A 473 11.088 2.135 2.530 1.00 1.57 N ATOM 191 CA LEU A 473 11.848 1.928 1.307 1.00 1.68 C ATOM 192 C LEU A 473 11.442 2.940 0.243 1.00 1.46 C ATOM 193 O LEU A 473 12.270 3.706 -0.249 1.00 2.00 O ATOM 194 CB LEU A 473 11.684 0.490 0.775 1.00 2.11 C ATOM 195 CG LEU A 473 10.248 -0.045 0.629 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.202 -1.133 -0.432 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.743 -0.597 1.956 1.00 2.17 C ATOM 0 H LEU A 473 10.425 1.391 2.748 1.00 1.57 H new ATOM 0 HA LEU A 473 12.901 2.076 1.545 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.167 0.433 -0.201 1.00 2.11 H new ATOM 0 HB3 LEU A 473 12.229 -0.181 1.440 1.00 2.11 H new ATOM 0 HG LEU A 473 9.603 0.780 0.326 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.182 -1.505 -0.528 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.530 -0.724 -1.387 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.861 -1.952 -0.143 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.726 -0.970 1.832 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.391 -1.411 2.282 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.750 0.194 2.705 1.00 2.17 H new ATOM 209 N GLU A 474 10.162 2.971 -0.078 1.00 1.28 N ATOM 210 CA GLU A 474 9.668 3.818 -1.145 1.00 1.36 C ATOM 211 C GLU A 474 8.840 4.958 -0.575 1.00 1.06 C ATOM 212 O GLU A 474 7.642 4.821 -0.369 1.00 1.14 O ATOM 213 CB GLU A 474 8.838 2.986 -2.119 1.00 1.92 C ATOM 214 CG GLU A 474 9.609 1.837 -2.755 1.00 2.48 C ATOM 215 CD GLU A 474 10.791 2.309 -3.576 1.00 3.00 C ATOM 216 OE1 GLU A 474 11.859 2.571 -2.988 1.00 3.47 O ATOM 217 OE2 GLU A 474 10.660 2.420 -4.815 1.00 3.36 O ATOM 0 H GLU A 474 9.444 2.416 0.388 1.00 1.28 H new ATOM 0 HA GLU A 474 10.514 4.248 -1.681 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.972 2.584 -1.593 1.00 1.92 H new ATOM 0 HB3 GLU A 474 8.458 3.637 -2.907 1.00 1.92 H new ATOM 0 HG2 GLU A 474 9.961 1.164 -1.973 1.00 2.48 H new ATOM 0 HG3 GLU A 474 8.936 1.262 -3.391 1.00 2.48 H new ATOM 224 N GLU A 475 9.503 6.078 -0.321 1.00 0.94 N ATOM 225 CA GLU A 475 8.864 7.255 0.263 1.00 0.84 C ATOM 226 C GLU A 475 7.765 7.800 -0.654 1.00 0.73 C ATOM 227 O GLU A 475 6.573 7.761 -0.319 1.00 0.73 O ATOM 228 CB GLU A 475 9.925 8.329 0.511 1.00 1.20 C ATOM 229 CG GLU A 475 9.408 9.580 1.206 1.00 1.66 C ATOM 230 CD GLU A 475 9.003 9.335 2.645 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.816 8.788 3.416 1.00 2.79 O ATOM 232 OE2 GLU A 475 7.856 9.668 3.005 1.00 2.49 O ATOM 0 H GLU A 475 10.498 6.199 -0.513 1.00 0.94 H new ATOM 0 HA GLU A 475 8.398 6.970 1.206 1.00 0.84 H new ATOM 0 HB2 GLU A 475 10.725 7.899 1.113 1.00 1.20 H new ATOM 0 HB3 GLU A 475 10.364 8.615 -0.445 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.180 10.349 1.178 1.00 1.66 H new ATOM 0 HG3 GLU A 475 8.551 9.967 0.654 1.00 1.66 H new ATOM 239 N ASP A 476 8.167 8.298 -1.818 1.00 0.88 N ATOM 240 CA ASP A 476 7.223 8.859 -2.774 1.00 0.98 C ATOM 241 C ASP A 476 6.177 7.833 -3.141 1.00 0.85 C ATOM 242 O ASP A 476 4.989 8.134 -3.164 1.00 0.84 O ATOM 243 CB ASP A 476 7.923 9.317 -4.049 1.00 1.36 C ATOM 244 CG ASP A 476 9.099 10.222 -3.774 1.00 2.00 C ATOM 245 OD1 ASP A 476 10.178 9.713 -3.408 1.00 2.43 O ATOM 246 OD2 ASP A 476 8.945 11.449 -3.922 1.00 2.63 O ATOM 0 H ASP A 476 9.141 8.324 -2.121 1.00 0.88 H new ATOM 0 HA ASP A 476 6.755 9.721 -2.298 1.00 0.98 H new ATOM 0 HB2 ASP A 476 8.264 8.444 -4.605 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.208 9.840 -4.684 1.00 1.36 H new ATOM 251 N ARG A 477 6.633 6.617 -3.414 1.00 0.89 N ATOM 252 CA ARG A 477 5.749 5.537 -3.820 1.00 0.96 C ATOM 253 C ARG A 477 4.692 5.240 -2.775 1.00 0.80 C ATOM 254 O ARG A 477 3.536 5.059 -3.119 1.00 0.85 O ATOM 255 CB ARG A 477 6.542 4.273 -4.110 1.00 1.23 C ATOM 256 CG ARG A 477 6.540 3.895 -5.574 1.00 1.57 C ATOM 257 CD ARG A 477 7.196 4.972 -6.426 1.00 1.89 C ATOM 258 NE ARG A 477 8.583 5.208 -6.039 1.00 1.95 N ATOM 259 CZ ARG A 477 9.625 4.875 -6.801 1.00 2.54 C ATOM 260 NH1 ARG A 477 9.427 4.319 -7.992 1.00 2.96 N ATOM 261 NH2 ARG A 477 10.862 5.105 -6.376 1.00 2.98 N ATOM 0 H ARG A 477 7.617 6.355 -3.360 1.00 0.89 H new ATOM 0 HA ARG A 477 5.244 5.869 -4.727 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.571 4.412 -3.778 1.00 1.23 H new ATOM 0 HB3 ARG A 477 6.128 3.450 -3.528 1.00 1.23 H new ATOM 0 HG2 ARG A 477 7.068 2.951 -5.708 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.515 3.738 -5.909 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.158 4.678 -7.475 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.632 5.900 -6.335 1.00 1.89 H new ATOM 0 HE ARG A 477 8.765 5.651 -5.138 1.00 1.95 H new ATOM 0 HH11 ARG A 477 8.478 4.147 -8.323 1.00 2.96 H new ATOM 0 HH12 ARG A 477 10.224 4.064 -8.575 1.00 2.96 H new ATOM 0 HH21 ARG A 477 11.016 5.537 -5.465 1.00 2.98 H new ATOM 0 HH22 ARG A 477 11.658 4.849 -6.961 1.00 2.98 H new ATOM 275 N LYS A 478 5.074 5.190 -1.510 1.00 0.77 N ATOM 276 CA LYS A 478 4.122 4.859 -0.465 1.00 0.90 C ATOM 277 C LYS A 478 3.082 5.960 -0.325 1.00 0.74 C ATOM 278 O LYS A 478 1.901 5.685 -0.138 1.00 0.80 O ATOM 279 CB LYS A 478 4.825 4.624 0.874 1.00 1.21 C ATOM 280 CG LYS A 478 5.305 5.891 1.566 1.00 1.27 C ATOM 281 CD LYS A 478 6.051 5.588 2.848 1.00 1.66 C ATOM 282 CE LYS A 478 6.478 6.863 3.549 1.00 1.97 C ATOM 283 NZ LYS A 478 7.240 6.583 4.792 1.00 2.30 N ATOM 0 H LYS A 478 6.024 5.372 -1.185 1.00 0.77 H new ATOM 0 HA LYS A 478 3.622 3.934 -0.751 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.142 4.097 1.541 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.680 3.968 0.711 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.955 6.449 0.892 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.450 6.530 1.786 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.416 5.001 3.511 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.928 4.981 2.626 1.00 1.66 H new ATOM 0 HE2 LYS A 478 7.091 7.460 2.874 1.00 1.97 H new ATOM 0 HE3 LYS A 478 5.597 7.458 3.790 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.381 7.468 5.319 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.709 5.910 5.381 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 8.165 6.174 4.548 1.00 2.30 H new ATOM 297 N ARG A 479 3.529 7.207 -0.432 1.00 0.71 N ATOM 298 CA ARG A 479 2.623 8.347 -0.350 1.00 0.86 C ATOM 299 C ARG A 479 1.748 8.421 -1.597 1.00 0.80 C ATOM 300 O ARG A 479 0.569 8.774 -1.531 1.00 0.90 O ATOM 301 CB ARG A 479 3.420 9.637 -0.194 1.00 1.09 C ATOM 302 CG ARG A 479 4.306 9.663 1.038 1.00 1.22 C ATOM 303 CD ARG A 479 5.030 10.990 1.171 1.00 1.88 C ATOM 304 NE ARG A 479 5.679 11.392 -0.074 1.00 2.47 N ATOM 305 CZ ARG A 479 6.883 11.948 -0.136 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.583 12.155 0.970 1.00 3.65 N ATOM 307 NH2 ARG A 479 7.388 12.294 -1.310 1.00 4.14 N ATOM 0 H ARG A 479 4.508 7.453 -0.575 1.00 0.71 H new ATOM 0 HA ARG A 479 1.980 8.219 0.520 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.040 9.780 -1.079 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.728 10.478 -0.150 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.701 9.486 1.927 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.034 8.854 0.982 1.00 1.22 H new ATOM 0 HD2 ARG A 479 4.321 11.760 1.474 1.00 1.88 H new ATOM 0 HD3 ARG A 479 5.777 10.917 1.961 1.00 1.88 H new ATOM 0 HE ARG A 479 5.177 11.236 -0.948 1.00 2.47 H new ATOM 0 HH11 ARG A 479 7.197 11.887 1.875 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.507 12.583 0.916 1.00 3.65 H new ATOM 0 HH21 ARG A 479 6.852 12.133 -2.163 1.00 4.14 H new ATOM 0 HH22 ARG A 479 8.313 12.721 -1.361 1.00 4.14 H new ATOM 321 N TYR A 480 2.335 8.068 -2.728 1.00 0.83 N ATOM 322 CA TYR A 480 1.624 8.048 -3.997 1.00 1.03 C ATOM 323 C TYR A 480 0.569 6.944 -3.986 1.00 0.82 C ATOM 324 O TYR A 480 -0.611 7.172 -4.273 1.00 0.82 O ATOM 325 CB TYR A 480 2.619 7.826 -5.139 1.00 1.44 C ATOM 326 CG TYR A 480 1.994 7.809 -6.514 1.00 1.81 C ATOM 327 CD1 TYR A 480 1.277 8.899 -6.993 1.00 2.09 C ATOM 328 CD2 TYR A 480 2.139 6.705 -7.340 1.00 2.00 C ATOM 329 CE1 TYR A 480 0.720 8.886 -8.257 1.00 2.45 C ATOM 330 CE2 TYR A 480 1.584 6.683 -8.604 1.00 2.36 C ATOM 331 CZ TYR A 480 0.876 7.775 -9.061 1.00 2.55 C ATOM 332 OH TYR A 480 0.327 7.759 -10.324 1.00 2.93 O ATOM 0 H TYR A 480 3.314 7.788 -2.794 1.00 0.83 H new ATOM 0 HA TYR A 480 1.123 9.004 -4.146 1.00 1.03 H new ATOM 0 HB2 TYR A 480 3.374 8.612 -5.106 1.00 1.44 H new ATOM 0 HB3 TYR A 480 3.136 6.880 -4.976 1.00 1.44 H new ATOM 0 HD1 TYR A 480 1.153 9.770 -6.367 1.00 2.09 H new ATOM 0 HD2 TYR A 480 2.695 5.848 -6.989 1.00 2.00 H new ATOM 0 HE1 TYR A 480 0.165 9.741 -8.614 1.00 2.45 H new ATOM 0 HE2 TYR A 480 1.704 5.813 -9.233 1.00 2.36 H new ATOM 0 HH TYR A 480 0.530 6.904 -10.758 1.00 2.93 H new ATOM 342 N LEU A 481 1.008 5.748 -3.612 1.00 0.91 N ATOM 343 CA LEU A 481 0.139 4.587 -3.532 1.00 1.15 C ATOM 344 C LEU A 481 -0.792 4.698 -2.341 1.00 1.03 C ATOM 345 O LEU A 481 -1.695 3.892 -2.179 1.00 1.19 O ATOM 346 CB LEU A 481 0.958 3.301 -3.424 1.00 1.66 C ATOM 347 CG LEU A 481 1.838 2.986 -4.635 1.00 2.09 C ATOM 348 CD1 LEU A 481 2.647 1.723 -4.395 1.00 2.68 C ATOM 349 CD2 LEU A 481 0.993 2.846 -5.888 1.00 2.73 C ATOM 0 H LEU A 481 1.977 5.559 -3.356 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.454 4.551 -4.446 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.593 3.367 -2.541 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.275 2.467 -3.264 1.00 1.66 H new ATOM 0 HG LEU A 481 2.531 3.815 -4.778 1.00 2.09 H new ATOM 0 HD11 LEU A 481 3.266 1.516 -5.268 1.00 2.68 H new ATOM 0 HD12 LEU A 481 3.285 1.860 -3.522 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.971 0.885 -4.223 1.00 2.68 H new ATOM 0 HD21 LEU A 481 1.637 2.622 -6.738 1.00 2.73 H new ATOM 0 HD22 LEU A 481 0.275 2.037 -5.754 1.00 2.73 H new ATOM 0 HD23 LEU A 481 0.459 3.778 -6.073 1.00 2.73 H new ATOM 361 N MET A 482 -0.554 5.675 -1.488 1.00 1.05 N ATOM 362 CA MET A 482 -1.502 5.988 -0.440 1.00 1.49 C ATOM 363 C MET A 482 -2.705 6.655 -1.076 1.00 1.39 C ATOM 364 O MET A 482 -3.824 6.148 -1.003 1.00 1.65 O ATOM 365 CB MET A 482 -0.880 6.912 0.601 1.00 2.05 C ATOM 366 CG MET A 482 -1.774 7.157 1.797 1.00 3.10 C ATOM 367 SD MET A 482 -1.137 8.451 2.879 1.00 4.00 S ATOM 368 CE MET A 482 -1.127 9.847 1.754 1.00 4.93 C ATOM 0 H MET A 482 0.281 6.261 -1.500 1.00 1.05 H new ATOM 0 HA MET A 482 -1.799 5.071 0.069 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.061 6.481 0.942 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.642 7.867 0.133 1.00 2.05 H new ATOM 0 HG2 MET A 482 -2.770 7.434 1.452 1.00 3.10 H new ATOM 0 HG3 MET A 482 -1.879 6.232 2.364 1.00 3.10 H new ATOM 0 HE1 MET A 482 -1.250 10.771 2.319 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.179 9.874 1.216 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.946 9.746 1.041 1.00 4.93 H new ATOM 378 N THR A 483 -2.437 7.768 -1.753 1.00 1.25 N ATOM 379 CA THR A 483 -3.453 8.502 -2.488 1.00 1.59 C ATOM 380 C THR A 483 -4.208 7.577 -3.442 1.00 1.32 C ATOM 381 O THR A 483 -5.396 7.765 -3.705 1.00 1.59 O ATOM 382 CB THR A 483 -2.812 9.660 -3.283 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.035 10.481 -2.396 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.873 10.512 -3.970 1.00 2.46 C ATOM 0 H THR A 483 -1.507 8.184 -1.805 1.00 1.25 H new ATOM 0 HA THR A 483 -4.160 8.912 -1.767 1.00 1.59 H new ATOM 0 HB THR A 483 -2.169 9.231 -4.051 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.627 11.215 -2.902 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.391 11.319 -4.522 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.446 9.893 -4.660 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.542 10.934 -3.220 1.00 2.46 H new ATOM 392 N LEU A 484 -3.509 6.575 -3.950 1.00 0.92 N ATOM 393 CA LEU A 484 -4.125 5.591 -4.826 1.00 0.90 C ATOM 394 C LEU A 484 -4.789 4.457 -4.037 1.00 0.84 C ATOM 395 O LEU A 484 -6.018 4.383 -3.957 1.00 0.91 O ATOM 396 CB LEU A 484 -3.090 5.010 -5.792 1.00 1.15 C ATOM 397 CG LEU A 484 -2.416 6.023 -6.716 1.00 1.69 C ATOM 398 CD1 LEU A 484 -1.481 5.316 -7.680 1.00 2.28 C ATOM 399 CD2 LEU A 484 -3.453 6.836 -7.476 1.00 2.20 C ATOM 0 H LEU A 484 -2.517 6.421 -3.771 1.00 0.92 H new ATOM 0 HA LEU A 484 -4.901 6.107 -5.392 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -2.319 4.504 -5.211 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -3.576 4.251 -6.405 1.00 1.15 H new ATOM 0 HG LEU A 484 -1.831 6.709 -6.104 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.008 6.050 -8.332 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -0.715 4.782 -7.118 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -2.048 4.607 -8.283 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -2.949 7.550 -8.127 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.069 6.168 -8.078 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.085 7.373 -6.768 1.00 2.20 H new ATOM 411 N LEU A 485 -3.983 3.599 -3.416 1.00 1.02 N ATOM 412 CA LEU A 485 -4.490 2.334 -2.899 1.00 1.47 C ATOM 413 C LEU A 485 -5.277 2.537 -1.620 1.00 1.75 C ATOM 414 O LEU A 485 -6.311 1.902 -1.417 1.00 1.92 O ATOM 415 CB LEU A 485 -3.350 1.343 -2.664 1.00 1.90 C ATOM 416 CG LEU A 485 -2.436 1.106 -3.870 1.00 2.48 C ATOM 417 CD1 LEU A 485 -1.338 0.116 -3.521 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.240 0.609 -5.061 1.00 3.10 C ATOM 0 H LEU A 485 -2.987 3.755 -3.260 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.162 1.920 -3.651 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -2.743 1.702 -1.833 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -3.777 0.388 -2.358 1.00 1.90 H new ATOM 0 HG LEU A 485 -1.972 2.055 -4.139 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -0.699 -0.040 -4.390 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -0.742 0.509 -2.698 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -1.785 -0.833 -3.224 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.573 0.446 -5.908 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -3.733 -0.328 -4.802 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -3.991 1.352 -5.328 1.00 3.10 H new ATOM 430 N ASP A 486 -4.825 3.453 -0.779 1.00 1.95 N ATOM 431 CA ASP A 486 -5.493 3.695 0.490 1.00 2.47 C ATOM 432 C ASP A 486 -6.850 4.335 0.236 1.00 2.33 C ATOM 433 O ASP A 486 -7.758 4.270 1.063 1.00 2.75 O ATOM 434 CB ASP A 486 -4.627 4.582 1.385 1.00 2.90 C ATOM 435 CG ASP A 486 -5.261 4.838 2.731 1.00 3.47 C ATOM 436 OD1 ASP A 486 -5.392 3.883 3.513 1.00 3.72 O ATOM 437 OD2 ASP A 486 -5.624 5.998 3.011 1.00 3.86 O ATOM 0 H ASP A 486 -4.006 4.037 -0.949 1.00 1.95 H new ATOM 0 HA ASP A 486 -5.645 2.747 1.006 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -3.655 4.109 1.528 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -4.448 5.533 0.884 1.00 2.90 H new ATOM 442 N ASP A 487 -6.984 4.924 -0.944 1.00 1.85 N ATOM 443 CA ASP A 487 -8.236 5.524 -1.370 1.00 1.83 C ATOM 444 C ASP A 487 -9.093 4.502 -2.120 1.00 1.35 C ATOM 445 O ASP A 487 -10.298 4.701 -2.291 1.00 1.40 O ATOM 446 CB ASP A 487 -7.957 6.745 -2.251 1.00 2.05 C ATOM 447 CG ASP A 487 -9.211 7.520 -2.611 1.00 2.41 C ATOM 448 OD1 ASP A 487 -9.784 8.188 -1.722 1.00 2.77 O ATOM 449 OD2 ASP A 487 -9.616 7.492 -3.791 1.00 2.59 O ATOM 0 H ASP A 487 -6.231 4.998 -1.628 1.00 1.85 H new ATOM 0 HA ASP A 487 -8.789 5.848 -0.488 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -7.264 7.408 -1.733 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -7.463 6.419 -3.167 1.00 2.05 H new ATOM 454 N ILE A 488 -8.468 3.402 -2.560 1.00 1.14 N ATOM 455 CA ILE A 488 -9.195 2.316 -3.227 1.00 1.13 C ATOM 456 C ILE A 488 -10.358 1.820 -2.360 1.00 1.43 C ATOM 457 O ILE A 488 -11.501 1.782 -2.816 1.00 2.27 O ATOM 458 CB ILE A 488 -8.273 1.111 -3.563 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.205 1.504 -4.590 1.00 1.21 C ATOM 460 CG2 ILE A 488 -9.085 -0.075 -4.077 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.762 2.120 -5.857 1.00 1.67 C ATOM 0 H ILE A 488 -7.465 3.242 -2.466 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.578 2.732 -4.159 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.773 0.814 -2.641 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.515 2.210 -4.128 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.626 0.619 -4.853 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -8.415 -0.904 -4.304 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.799 -0.385 -3.314 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.622 0.216 -4.980 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.942 2.370 -6.531 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -8.429 1.409 -6.345 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.316 3.025 -5.608 1.00 1.67 H new ATOM 473 N LYS A 489 -10.055 1.475 -1.107 1.00 1.42 N ATOM 474 CA LYS A 489 -11.052 0.949 -0.167 1.00 1.75 C ATOM 475 C LYS A 489 -11.680 -0.348 -0.683 1.00 1.29 C ATOM 476 O LYS A 489 -12.678 -0.332 -1.411 1.00 1.88 O ATOM 477 CB LYS A 489 -12.147 1.985 0.120 1.00 2.46 C ATOM 478 CG LYS A 489 -13.236 1.469 1.051 1.00 3.04 C ATOM 479 CD LYS A 489 -14.329 2.501 1.267 1.00 3.88 C ATOM 480 CE LYS A 489 -13.825 3.698 2.053 1.00 4.70 C ATOM 481 NZ LYS A 489 -13.417 3.328 3.436 1.00 5.28 N ATOM 0 H LYS A 489 -9.117 1.551 -0.715 1.00 1.42 H new ATOM 0 HA LYS A 489 -10.529 0.730 0.764 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -11.692 2.872 0.561 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -12.600 2.294 -0.822 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.671 0.561 0.633 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -12.796 1.199 2.011 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.711 2.834 0.302 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -15.163 2.042 1.798 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -12.977 4.142 1.532 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -14.606 4.457 2.097 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -13.307 4.190 4.008 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -14.145 2.720 3.862 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -12.513 2.815 3.406 1.00 5.28 H new ATOM 495 N GLY A 490 -11.095 -1.467 -0.294 1.00 0.91 N ATOM 496 CA GLY A 490 -11.604 -2.761 -0.693 1.00 0.96 C ATOM 497 C GLY A 490 -10.784 -3.876 -0.088 1.00 0.67 C ATOM 498 O GLY A 490 -9.600 -3.986 -0.371 1.00 0.69 O ATOM 0 H GLY A 490 -10.266 -1.502 0.299 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -12.644 -2.859 -0.381 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -11.589 -2.842 -1.780 1.00 0.96 H new ATOM 502 N ALA A 491 -11.410 -4.686 0.756 1.00 0.70 N ATOM 503 CA ALA A 491 -10.716 -5.755 1.472 1.00 0.84 C ATOM 504 C ALA A 491 -9.972 -6.692 0.524 1.00 0.71 C ATOM 505 O ALA A 491 -8.849 -7.107 0.808 1.00 0.69 O ATOM 506 CB ALA A 491 -11.707 -6.538 2.322 1.00 1.22 C ATOM 0 H ALA A 491 -12.407 -4.624 0.964 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.970 -5.291 2.118 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -11.183 -7.333 2.853 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.176 -5.869 3.043 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.472 -6.974 1.680 1.00 1.22 H new ATOM 512 N ASN A 492 -10.593 -7.001 -0.606 1.00 0.73 N ATOM 513 CA ASN A 492 -10.020 -7.935 -1.570 1.00 0.78 C ATOM 514 C ASN A 492 -8.822 -7.305 -2.276 1.00 0.65 C ATOM 515 O ASN A 492 -7.706 -7.833 -2.233 1.00 0.67 O ATOM 516 CB ASN A 492 -11.092 -8.341 -2.588 1.00 1.00 C ATOM 517 CG ASN A 492 -10.681 -9.498 -3.484 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.507 -9.678 -3.805 1.00 2.38 O ATOM 519 ND2 ASN A 492 -11.657 -10.296 -3.885 1.00 2.19 N ATOM 0 H ASN A 492 -11.498 -6.618 -0.880 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.673 -8.824 -1.044 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -12.002 -8.613 -2.054 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.333 -7.479 -3.211 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -11.449 -11.096 -4.483 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -12.618 -10.112 -3.596 1.00 2.19 H new ATOM 526 N ASP A 493 -9.060 -6.158 -2.904 1.00 0.63 N ATOM 527 CA ASP A 493 -8.022 -5.455 -3.655 1.00 0.69 C ATOM 528 C ASP A 493 -6.833 -5.116 -2.766 1.00 0.62 C ATOM 529 O ASP A 493 -5.684 -5.359 -3.129 1.00 0.66 O ATOM 530 CB ASP A 493 -8.576 -4.168 -4.277 1.00 0.86 C ATOM 531 CG ASP A 493 -9.490 -4.428 -5.459 1.00 1.33 C ATOM 532 OD1 ASP A 493 -10.689 -4.713 -5.245 1.00 1.97 O ATOM 533 OD2 ASP A 493 -9.013 -4.338 -6.612 1.00 1.46 O ATOM 0 H ASP A 493 -9.967 -5.692 -2.908 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.688 -6.122 -4.450 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.123 -3.610 -3.517 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.746 -3.539 -4.598 1.00 0.86 H new ATOM 538 N LEU A 494 -7.118 -4.571 -1.590 1.00 0.61 N ATOM 539 CA LEU A 494 -6.074 -4.134 -0.675 1.00 0.69 C ATOM 540 C LEU A 494 -5.278 -5.313 -0.140 1.00 0.57 C ATOM 541 O LEU A 494 -4.081 -5.188 0.116 1.00 0.56 O ATOM 542 CB LEU A 494 -6.668 -3.316 0.474 1.00 0.91 C ATOM 543 CG LEU A 494 -7.312 -1.998 0.048 1.00 1.15 C ATOM 544 CD1 LEU A 494 -7.866 -1.260 1.254 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.305 -1.135 -0.695 1.00 1.77 C ATOM 0 H LEU A 494 -8.067 -4.421 -1.248 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.389 -3.496 -1.233 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.416 -3.922 0.986 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -5.880 -3.104 1.197 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.141 -2.218 -0.625 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.321 -0.324 0.930 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -8.618 -1.878 1.745 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.058 -1.048 1.954 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -6.778 -0.199 -0.993 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.457 -0.922 -0.044 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -5.957 -1.664 -1.582 1.00 1.77 H new ATOM 557 N ALA A 495 -5.932 -6.459 0.017 1.00 0.56 N ATOM 558 CA ALA A 495 -5.232 -7.671 0.413 1.00 0.59 C ATOM 559 C ALA A 495 -4.229 -8.060 -0.665 1.00 0.55 C ATOM 560 O ALA A 495 -3.085 -8.420 -0.369 1.00 0.58 O ATOM 561 CB ALA A 495 -6.211 -8.811 0.661 1.00 0.68 C ATOM 0 H ALA A 495 -6.936 -6.572 -0.123 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.701 -7.476 1.345 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.661 -9.705 0.956 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.902 -8.531 1.456 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.772 -9.014 -0.251 1.00 0.68 H new ATOM 567 N LYS A 496 -4.658 -7.951 -1.918 1.00 0.59 N ATOM 568 CA LYS A 496 -3.804 -8.286 -3.048 1.00 0.68 C ATOM 569 C LYS A 496 -2.677 -7.258 -3.183 1.00 0.63 C ATOM 570 O LYS A 496 -1.525 -7.622 -3.397 1.00 0.65 O ATOM 571 CB LYS A 496 -4.634 -8.359 -4.340 1.00 0.85 C ATOM 572 CG LYS A 496 -4.128 -9.376 -5.358 1.00 1.29 C ATOM 573 CD LYS A 496 -2.767 -8.996 -5.920 1.00 1.77 C ATOM 574 CE LYS A 496 -2.243 -10.041 -6.890 1.00 2.53 C ATOM 575 NZ LYS A 496 -3.123 -10.191 -8.079 1.00 2.98 N ATOM 0 H LYS A 496 -5.592 -7.633 -2.175 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.356 -9.264 -2.874 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.664 -8.603 -4.082 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -4.647 -7.373 -4.805 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.064 -10.357 -4.888 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -4.846 -9.459 -6.174 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.839 -8.034 -6.427 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.058 -8.872 -5.102 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -1.240 -9.763 -7.214 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -2.159 -11.000 -6.379 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -2.648 -10.783 -8.790 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -4.017 -10.641 -7.795 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -3.321 -9.254 -8.485 1.00 2.98 H new ATOM 589 N PHE A 497 -3.009 -5.975 -3.036 1.00 0.64 N ATOM 590 CA PHE A 497 -2.010 -4.905 -3.118 1.00 0.70 C ATOM 591 C PHE A 497 -1.018 -4.991 -1.959 1.00 0.62 C ATOM 592 O PHE A 497 0.144 -4.607 -2.086 1.00 0.67 O ATOM 593 CB PHE A 497 -2.678 -3.524 -3.137 1.00 0.84 C ATOM 594 CG PHE A 497 -3.438 -3.237 -4.401 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.859 -3.462 -5.640 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.729 -2.732 -4.351 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.553 -3.193 -6.804 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.428 -2.461 -5.513 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.839 -2.693 -6.739 1.00 1.82 C ATOM 0 H PHE A 497 -3.960 -5.650 -2.860 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.465 -5.038 -4.053 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.359 -3.448 -2.289 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.914 -2.759 -3.002 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.854 -3.852 -5.696 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.194 -2.548 -3.393 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -3.091 -3.373 -7.763 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.433 -2.069 -5.461 1.00 1.72 H new ATOM 0 HZ PHE A 497 -5.384 -2.484 -7.648 1.00 1.82 H new ATOM 609 N HIS A 498 -1.472 -5.521 -0.836 1.00 0.57 N ATOM 610 CA HIS A 498 -0.606 -5.706 0.319 1.00 0.62 C ATOM 611 C HIS A 498 0.402 -6.795 0.005 1.00 0.54 C ATOM 612 O HIS A 498 1.611 -6.606 0.155 1.00 0.56 O ATOM 613 CB HIS A 498 -1.426 -6.070 1.567 1.00 0.75 C ATOM 614 CG HIS A 498 -0.597 -6.500 2.740 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.714 -7.743 3.317 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.352 -5.846 3.450 1.00 1.49 C ATOM 617 CE1 HIS A 498 0.128 -7.840 4.326 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.787 -6.703 4.428 1.00 1.69 N ATOM 0 H HIS A 498 -2.434 -5.831 -0.698 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.083 -4.773 0.532 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.028 -5.209 1.857 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.119 -6.872 1.312 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.701 -4.838 3.278 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.256 -8.704 4.961 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.505 -6.494 5.122 1.00 1.69 H new ATOM 627 N GLN A 499 -0.117 -7.926 -0.460 1.00 0.54 N ATOM 628 CA GLN A 499 0.716 -9.033 -0.904 1.00 0.60 C ATOM 629 C GLN A 499 1.580 -8.598 -2.077 1.00 0.53 C ATOM 630 O GLN A 499 2.653 -9.145 -2.305 1.00 0.54 O ATOM 631 CB GLN A 499 -0.156 -10.218 -1.317 1.00 0.77 C ATOM 632 CG GLN A 499 -0.952 -10.817 -0.168 1.00 1.43 C ATOM 633 CD GLN A 499 -2.040 -11.762 -0.638 1.00 2.00 C ATOM 634 OE1 GLN A 499 -2.607 -11.588 -1.718 1.00 2.63 O ATOM 635 NE2 GLN A 499 -2.336 -12.771 0.165 1.00 2.58 N ATOM 0 H GLN A 499 -1.119 -8.099 -0.539 1.00 0.54 H new ATOM 0 HA GLN A 499 1.360 -9.337 -0.079 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -0.846 -9.896 -2.097 1.00 0.77 H new ATOM 0 HB3 GLN A 499 0.478 -10.991 -1.751 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -0.275 -11.352 0.497 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -1.402 -10.013 0.415 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -1.843 -12.879 1.051 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -3.058 -13.441 -0.102 1.00 2.58 H new ATOM 644 N MET A 500 1.103 -7.598 -2.806 1.00 0.54 N ATOM 645 CA MET A 500 1.816 -7.081 -3.957 1.00 0.63 C ATOM 646 C MET A 500 3.163 -6.507 -3.534 1.00 0.57 C ATOM 647 O MET A 500 4.204 -6.877 -4.079 1.00 0.58 O ATOM 648 CB MET A 500 0.986 -6.019 -4.680 1.00 0.80 C ATOM 649 CG MET A 500 1.559 -5.618 -6.030 1.00 1.26 C ATOM 650 SD MET A 500 0.572 -4.349 -6.852 1.00 1.91 S ATOM 651 CE MET A 500 1.499 -4.124 -8.370 1.00 2.52 C ATOM 0 H MET A 500 0.218 -7.128 -2.615 1.00 0.54 H new ATOM 0 HA MET A 500 1.990 -7.905 -4.648 1.00 0.63 H new ATOM 0 HB2 MET A 500 -0.027 -6.395 -4.821 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.912 -5.134 -4.048 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.576 -5.251 -5.895 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.620 -6.498 -6.671 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.012 -3.368 -8.985 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.513 -3.801 -8.133 1.00 2.52 H new ATOM 0 HE3 MET A 500 1.537 -5.067 -8.916 1.00 2.52 H new ATOM 661 N LEU A 501 3.151 -5.617 -2.544 1.00 0.59 N ATOM 662 CA LEU A 501 4.402 -5.070 -2.028 1.00 0.65 C ATOM 663 C LEU A 501 5.167 -6.129 -1.242 1.00 0.56 C ATOM 664 O LEU A 501 6.391 -6.097 -1.184 1.00 0.62 O ATOM 665 CB LEU A 501 4.194 -3.826 -1.159 1.00 0.85 C ATOM 666 CG LEU A 501 3.836 -2.532 -1.908 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.446 -2.601 -2.524 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.942 -1.337 -0.973 1.00 1.91 C ATOM 0 H LEU A 501 2.307 -5.265 -2.091 1.00 0.59 H new ATOM 0 HA LEU A 501 4.986 -4.764 -2.896 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.402 -4.037 -0.441 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.105 -3.651 -0.587 1.00 0.85 H new ATOM 0 HG LEU A 501 4.550 -2.414 -2.723 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.232 -1.667 -3.044 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.402 -3.429 -3.232 1.00 2.09 H new ATOM 0 HD13 LEU A 501 1.707 -2.756 -1.738 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.686 -0.427 -1.515 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.254 -1.467 -0.137 1.00 1.91 H new ATOM 0 HD23 LEU A 501 4.962 -1.260 -0.595 1.00 1.91 H new ATOM 680 N VAL A 502 4.451 -7.075 -0.644 1.00 0.53 N ATOM 681 CA VAL A 502 5.107 -8.207 0.007 1.00 0.64 C ATOM 682 C VAL A 502 5.914 -9.004 -1.022 1.00 0.61 C ATOM 683 O VAL A 502 6.982 -9.540 -0.722 1.00 0.73 O ATOM 684 CB VAL A 502 4.089 -9.132 0.720 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.765 -10.379 1.270 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.385 -8.389 1.843 1.00 1.02 C ATOM 0 H VAL A 502 3.432 -7.084 -0.595 1.00 0.53 H new ATOM 0 HA VAL A 502 5.778 -7.810 0.769 1.00 0.64 H new ATOM 0 HB VAL A 502 3.351 -9.440 -0.021 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.024 -11.007 1.764 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.224 -10.935 0.452 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.532 -10.090 1.988 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.674 -9.056 2.331 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.121 -8.048 2.571 1.00 1.02 H new ATOM 0 HG23 VAL A 502 2.854 -7.530 1.434 1.00 1.02 H new ATOM 696 N LYS A 503 5.410 -9.057 -2.246 1.00 0.58 N ATOM 697 CA LYS A 503 6.110 -9.719 -3.335 1.00 0.71 C ATOM 698 C LYS A 503 7.182 -8.807 -3.930 1.00 0.69 C ATOM 699 O LYS A 503 8.182 -9.285 -4.465 1.00 0.84 O ATOM 700 CB LYS A 503 5.125 -10.156 -4.422 1.00 0.88 C ATOM 701 CG LYS A 503 4.175 -11.261 -3.977 1.00 1.35 C ATOM 702 CD LYS A 503 3.166 -11.600 -5.060 1.00 1.44 C ATOM 703 CE LYS A 503 2.192 -12.677 -4.603 1.00 2.04 C ATOM 704 NZ LYS A 503 2.859 -13.987 -4.388 1.00 2.54 N ATOM 0 H LYS A 503 4.514 -8.647 -2.510 1.00 0.58 H new ATOM 0 HA LYS A 503 6.599 -10.605 -2.930 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.541 -9.292 -4.739 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.685 -10.499 -5.292 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.747 -12.152 -3.720 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.650 -10.949 -3.074 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.613 -10.702 -5.336 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.691 -11.939 -5.953 1.00 1.44 H new ATOM 0 HE2 LYS A 503 1.712 -12.360 -3.677 1.00 2.04 H new ATOM 0 HE3 LYS A 503 1.404 -12.791 -5.348 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 2.141 -14.714 -4.194 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 3.395 -14.248 -5.240 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 3.509 -13.917 -3.579 1.00 2.54 H new ATOM 718 N ILE A 504 6.978 -7.495 -3.840 1.00 0.62 N ATOM 719 CA ILE A 504 7.954 -6.549 -4.376 1.00 0.73 C ATOM 720 C ILE A 504 9.176 -6.427 -3.458 1.00 0.73 C ATOM 721 O ILE A 504 10.275 -6.090 -3.909 1.00 0.85 O ATOM 722 CB ILE A 504 7.340 -5.147 -4.649 1.00 0.87 C ATOM 723 CG1 ILE A 504 8.104 -4.442 -5.771 1.00 1.30 C ATOM 724 CG2 ILE A 504 7.344 -4.274 -3.405 1.00 1.34 C ATOM 725 CD1 ILE A 504 8.025 -5.158 -7.102 1.00 1.75 C ATOM 0 H ILE A 504 6.159 -7.067 -3.408 1.00 0.62 H new ATOM 0 HA ILE A 504 8.277 -6.954 -5.335 1.00 0.73 H new ATOM 0 HB ILE A 504 6.304 -5.301 -4.950 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.711 -3.432 -5.888 1.00 1.30 H new ATOM 0 HG13 ILE A 504 9.150 -4.346 -5.482 1.00 1.30 H new ATOM 0 HG21 ILE A 504 6.907 -3.304 -3.640 1.00 1.34 H new ATOM 0 HG22 ILE A 504 6.760 -4.755 -2.621 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.369 -4.136 -3.061 1.00 1.34 H new ATOM 0 HD11 ILE A 504 8.590 -4.600 -7.849 1.00 1.75 H new ATOM 0 HD12 ILE A 504 8.445 -6.159 -7.002 1.00 1.75 H new ATOM 0 HD13 ILE A 504 6.983 -5.231 -7.415 1.00 1.75 H new ATOM 737 N ILE A 505 8.987 -6.700 -2.170 1.00 0.71 N ATOM 738 CA ILE A 505 10.097 -6.685 -1.222 1.00 0.85 C ATOM 739 C ILE A 505 10.649 -8.088 -1.011 1.00 0.97 C ATOM 740 O ILE A 505 11.809 -8.249 -0.628 1.00 1.20 O ATOM 741 CB ILE A 505 9.695 -6.090 0.149 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.599 -6.930 0.817 1.00 1.49 C ATOM 743 CG2 ILE A 505 9.242 -4.645 -0.010 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.251 -6.478 2.219 1.00 2.19 C ATOM 745 OXT ILE A 505 9.883 -9.058 -1.220 1.00 1.58 O ATOM 0 H ILE A 505 8.082 -6.933 -1.761 1.00 0.71 H new ATOM 0 HA ILE A 505 10.864 -6.046 -1.660 1.00 0.85 H new ATOM 0 HB ILE A 505 10.572 -6.110 0.796 1.00 1.10 H new ATOM 0 HG12 ILE A 505 7.701 -6.894 0.201 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.922 -7.971 0.851 1.00 1.49 H new ATOM 0 HG21 ILE A 505 8.963 -4.242 0.964 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.056 -4.053 -0.428 1.00 1.83 H new ATOM 0 HG23 ILE A 505 8.383 -4.605 -0.679 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.469 -7.120 2.625 1.00 2.19 H new ATOM 0 HD12 ILE A 505 9.136 -6.540 2.852 1.00 2.19 H new ATOM 0 HD13 ILE A 505 7.897 -5.448 2.192 1.00 2.19 H new TER 757 ILE A 505