USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 462 SER OG : rot -29:sc= 0.335 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 SER OG : rot 49:sc= 1.26 USER MOD Single : A 478 LYS NZ :NH3+ 138:sc= 1.34 (180deg=0.675) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl 173:sc= -1.03 (180deg=-1.26) USER MOD Single : A 483 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 489 LYS NZ :NH3+ -169:sc= -0.0112 (180deg=-0.202) USER MOD Single : A 492 ASN : amide:sc=-0.00391 X(o=-0.0039,f=-0.091) USER MOD Single : A 496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 498 HIS :FLIP no HD1:sc= -1.89! C(o=-3.5!,f=-1.9!) USER MOD Single : A 499 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ 159:sc= -0.133 (180deg=-0.613) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -5.847 0.081 7.536 1.00 1.77 N ATOM 2 CA SER A 462 -4.795 0.319 8.515 1.00 1.60 C ATOM 3 C SER A 462 -3.599 -0.597 8.270 1.00 1.25 C ATOM 4 O SER A 462 -2.447 -0.185 8.413 1.00 1.09 O ATOM 5 CB SER A 462 -5.352 0.109 9.923 1.00 1.97 C ATOM 6 OG SER A 462 -6.166 -1.056 9.973 1.00 2.70 O ATOM 0 HA SER A 462 -4.449 1.348 8.414 1.00 1.60 H new ATOM 0 HB2 SER A 462 -4.531 0.016 10.634 1.00 1.97 H new ATOM 0 HB3 SER A 462 -5.936 0.980 10.222 1.00 1.97 H new ATOM 0 HG SER A 462 -6.571 -1.210 9.094 1.00 2.70 H new ATOM 14 N VAL A 463 -3.885 -1.833 7.877 1.00 1.25 N ATOM 15 CA VAL A 463 -2.843 -2.815 7.617 1.00 1.07 C ATOM 16 C VAL A 463 -1.969 -2.386 6.442 1.00 0.89 C ATOM 17 O VAL A 463 -0.762 -2.212 6.590 1.00 0.76 O ATOM 18 CB VAL A 463 -3.436 -4.212 7.328 1.00 1.28 C ATOM 19 CG1 VAL A 463 -2.334 -5.244 7.141 1.00 1.28 C ATOM 20 CG2 VAL A 463 -4.380 -4.634 8.443 1.00 1.50 C ATOM 0 H VAL A 463 -4.834 -2.178 7.732 1.00 1.25 H new ATOM 0 HA VAL A 463 -2.233 -2.875 8.518 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.004 -4.152 6.399 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -2.779 -6.218 6.939 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -1.701 -4.953 6.303 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -1.731 -5.301 8.047 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -4.787 -5.620 8.221 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -3.835 -4.670 9.387 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -5.195 -3.914 8.522 1.00 1.50 H new ATOM 30 N ILE A 464 -2.588 -2.189 5.285 1.00 1.02 N ATOM 31 CA ILE A 464 -1.842 -1.865 4.074 1.00 1.02 C ATOM 32 C ILE A 464 -1.206 -0.472 4.194 1.00 0.88 C ATOM 33 O ILE A 464 -0.089 -0.240 3.726 1.00 0.84 O ATOM 34 CB ILE A 464 -2.750 -1.967 2.813 1.00 1.35 C ATOM 35 CG1 ILE A 464 -1.949 -2.448 1.590 1.00 1.81 C ATOM 36 CG2 ILE A 464 -3.452 -0.648 2.511 1.00 1.96 C ATOM 37 CD1 ILE A 464 -0.830 -1.528 1.149 1.00 2.72 C ATOM 0 H ILE A 464 -3.598 -2.247 5.159 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.040 -2.595 3.958 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.520 -2.707 3.032 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -1.525 -3.427 1.815 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -2.637 -2.583 0.755 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -4.075 -0.762 1.624 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -4.076 -0.365 3.359 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -2.708 0.128 2.334 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -0.328 -1.956 0.281 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -1.242 -0.554 0.886 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -0.113 -1.411 1.962 1.00 2.72 H new ATOM 49 N ARG A 465 -1.902 0.435 4.871 1.00 0.94 N ATOM 50 CA ARG A 465 -1.399 1.782 5.078 1.00 0.95 C ATOM 51 C ARG A 465 -0.135 1.737 5.924 1.00 0.83 C ATOM 52 O ARG A 465 0.827 2.445 5.650 1.00 0.90 O ATOM 53 CB ARG A 465 -2.471 2.652 5.741 1.00 1.18 C ATOM 54 CG ARG A 465 -2.083 4.111 5.894 1.00 1.57 C ATOM 55 CD ARG A 465 -3.291 4.966 6.247 1.00 1.81 C ATOM 56 NE ARG A 465 -3.951 4.523 7.471 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.238 4.166 7.542 1.00 2.61 C ATOM 58 NH1 ARG A 465 -6.006 4.184 6.453 1.00 2.88 N ATOM 59 NH2 ARG A 465 -5.760 3.799 8.705 1.00 3.37 N ATOM 0 H ARG A 465 -2.817 0.258 5.285 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.153 2.225 4.113 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -3.387 2.591 5.153 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -2.697 2.243 6.726 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -1.325 4.209 6.671 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -1.637 4.471 4.967 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -2.977 6.003 6.363 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.004 4.939 5.423 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.396 4.483 8.326 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -5.613 4.472 5.557 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -6.987 3.910 6.516 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.180 3.789 9.544 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -6.741 3.527 8.760 1.00 3.37 H new ATOM 73 N SER A 466 -0.141 0.878 6.938 1.00 0.80 N ATOM 74 CA SER A 466 1.033 0.665 7.770 1.00 0.87 C ATOM 75 C SER A 466 2.145 0.007 6.951 1.00 0.85 C ATOM 76 O SER A 466 3.323 0.338 7.102 1.00 1.03 O ATOM 77 CB SER A 466 0.665 -0.214 8.973 1.00 0.96 C ATOM 78 OG SER A 466 1.747 -0.342 9.886 1.00 1.63 O ATOM 0 H SER A 466 -0.951 0.317 7.202 1.00 0.80 H new ATOM 0 HA SER A 466 1.393 1.628 8.134 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.195 0.215 9.487 1.00 0.96 H new ATOM 0 HB3 SER A 466 0.366 -1.202 8.623 1.00 0.96 H new ATOM 0 HG SER A 466 1.475 -0.907 10.639 1.00 1.63 H new ATOM 84 N ILE A 467 1.756 -0.908 6.066 1.00 0.78 N ATOM 85 CA ILE A 467 2.718 -1.643 5.258 1.00 0.91 C ATOM 86 C ILE A 467 3.531 -0.717 4.364 1.00 0.96 C ATOM 87 O ILE A 467 4.759 -0.746 4.421 1.00 1.18 O ATOM 88 CB ILE A 467 2.044 -2.753 4.414 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.488 -3.844 5.334 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.023 -3.353 3.411 1.00 1.24 C ATOM 91 CD1 ILE A 467 2.538 -4.501 6.206 1.00 1.59 C ATOM 0 H ILE A 467 0.782 -1.156 5.892 1.00 0.78 H new ATOM 0 HA ILE A 467 3.400 -2.124 5.959 1.00 0.91 H new ATOM 0 HB ILE A 467 1.223 -2.306 3.853 1.00 1.02 H new ATOM 0 HG12 ILE A 467 0.718 -3.411 5.972 1.00 1.14 H new ATOM 0 HG13 ILE A 467 1.004 -4.608 4.725 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.522 -4.129 2.833 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.379 -2.573 2.738 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.869 -3.787 3.944 1.00 1.24 H new ATOM 0 HD11 ILE A 467 2.069 -5.262 6.829 1.00 1.59 H new ATOM 0 HD12 ILE A 467 3.296 -4.965 5.575 1.00 1.59 H new ATOM 0 HD13 ILE A 467 3.005 -3.749 6.842 1.00 1.59 H new ATOM 103 N ILE A 468 2.879 0.124 3.558 1.00 0.87 N ATOM 104 CA ILE A 468 3.646 0.995 2.675 1.00 0.99 C ATOM 105 C ILE A 468 4.478 1.977 3.491 1.00 1.08 C ATOM 106 O ILE A 468 5.621 2.251 3.145 1.00 1.27 O ATOM 107 CB ILE A 468 2.815 1.713 1.556 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.694 2.645 2.057 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.210 0.680 0.630 1.00 1.34 C ATOM 110 CD1 ILE A 468 2.175 3.947 2.663 1.00 1.65 C ATOM 0 H ILE A 468 1.865 0.218 3.500 1.00 0.87 H new ATOM 0 HA ILE A 468 4.312 0.336 2.117 1.00 0.99 H new ATOM 0 HB ILE A 468 3.531 2.356 1.044 1.00 1.02 H new ATOM 0 HG12 ILE A 468 1.030 2.872 1.223 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.102 2.111 2.800 1.00 0.80 H new ATOM 0 HG21 ILE A 468 1.633 1.181 -0.147 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.005 0.094 0.170 1.00 1.34 H new ATOM 0 HG23 ILE A 468 1.555 0.020 1.199 1.00 1.34 H new ATOM 0 HD11 ILE A 468 1.317 4.536 2.987 1.00 1.65 H new ATOM 0 HD12 ILE A 468 2.814 3.735 3.520 1.00 1.65 H new ATOM 0 HD13 ILE A 468 2.740 4.508 1.919 1.00 1.65 H new ATOM 122 N LYS A 469 3.940 2.439 4.617 1.00 1.04 N ATOM 123 CA LYS A 469 4.674 3.348 5.489 1.00 1.27 C ATOM 124 C LYS A 469 5.961 2.694 5.970 1.00 1.47 C ATOM 125 O LYS A 469 6.995 3.349 6.075 1.00 1.68 O ATOM 126 CB LYS A 469 3.826 3.783 6.687 1.00 1.35 C ATOM 127 CG LYS A 469 2.671 4.700 6.315 1.00 1.75 C ATOM 128 CD LYS A 469 1.896 5.146 7.543 1.00 1.96 C ATOM 129 CE LYS A 469 2.748 6.018 8.453 1.00 2.66 C ATOM 130 NZ LYS A 469 2.033 6.380 9.703 1.00 2.97 N ATOM 0 H LYS A 469 3.004 2.200 4.944 1.00 1.04 H new ATOM 0 HA LYS A 469 4.919 4.238 4.910 1.00 1.27 H new ATOM 0 HB2 LYS A 469 3.430 2.896 7.182 1.00 1.35 H new ATOM 0 HB3 LYS A 469 4.465 4.292 7.408 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.054 5.574 5.788 1.00 1.75 H new ATOM 0 HG3 LYS A 469 2.001 4.182 5.629 1.00 1.75 H new ATOM 0 HD2 LYS A 469 1.009 5.699 7.234 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.551 4.271 8.094 1.00 1.96 H new ATOM 0 HE2 LYS A 469 3.669 5.491 8.702 1.00 2.66 H new ATOM 0 HE3 LYS A 469 3.033 6.926 7.922 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 2.648 6.974 10.295 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 1.167 6.905 9.468 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 1.783 5.515 10.223 1.00 2.97 H new ATOM 144 N SER A 470 5.896 1.397 6.233 1.00 1.46 N ATOM 145 CA SER A 470 7.063 0.644 6.662 1.00 1.71 C ATOM 146 C SER A 470 7.934 0.245 5.464 1.00 1.82 C ATOM 147 O SER A 470 9.133 0.018 5.616 1.00 2.10 O ATOM 148 CB SER A 470 6.625 -0.603 7.437 1.00 1.74 C ATOM 149 OG SER A 470 7.732 -1.268 8.021 1.00 2.10 O ATOM 0 H SER A 470 5.043 0.843 6.156 1.00 1.46 H new ATOM 0 HA SER A 470 7.660 1.281 7.315 1.00 1.71 H new ATOM 0 HB2 SER A 470 5.918 -0.318 8.216 1.00 1.74 H new ATOM 0 HB3 SER A 470 6.103 -1.285 6.766 1.00 1.74 H new ATOM 0 HG SER A 470 7.419 -2.058 8.509 1.00 2.10 H new ATOM 155 N SER A 471 7.338 0.186 4.273 1.00 1.68 N ATOM 156 CA SER A 471 8.057 -0.263 3.082 1.00 1.90 C ATOM 157 C SER A 471 9.072 0.786 2.636 1.00 1.57 C ATOM 158 O SER A 471 8.725 1.770 1.986 1.00 1.83 O ATOM 159 CB SER A 471 7.073 -0.565 1.948 1.00 2.65 C ATOM 160 OG SER A 471 6.164 -1.586 2.318 1.00 3.40 O ATOM 0 H SER A 471 6.365 0.442 4.108 1.00 1.68 H new ATOM 0 HA SER A 471 8.595 -1.177 3.332 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.523 0.340 1.690 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.623 -0.869 1.057 1.00 2.65 H new ATOM 0 HG SER A 471 5.779 -1.379 3.195 1.00 3.40 H new ATOM 166 N ARG A 472 10.330 0.559 2.976 1.00 1.77 N ATOM 167 CA ARG A 472 11.381 1.539 2.737 1.00 1.99 C ATOM 168 C ARG A 472 12.009 1.381 1.342 1.00 1.90 C ATOM 169 O ARG A 472 13.190 1.067 1.200 1.00 2.38 O ATOM 170 CB ARG A 472 12.447 1.474 3.855 1.00 2.75 C ATOM 171 CG ARG A 472 13.333 0.221 3.878 1.00 3.26 C ATOM 172 CD ARG A 472 12.551 -1.070 4.065 1.00 3.92 C ATOM 173 NE ARG A 472 11.796 -1.092 5.315 1.00 4.22 N ATOM 174 CZ ARG A 472 11.368 -2.206 5.907 1.00 4.90 C ATOM 175 NH1 ARG A 472 11.669 -3.397 5.399 1.00 5.31 N ATOM 176 NH2 ARG A 472 10.644 -2.124 7.014 1.00 5.50 N ATOM 0 H ARG A 472 10.651 -0.301 3.421 1.00 1.77 H new ATOM 0 HA ARG A 472 10.925 2.529 2.761 1.00 1.99 H new ATOM 0 HB2 ARG A 472 13.092 2.348 3.764 1.00 2.75 H new ATOM 0 HB3 ARG A 472 11.940 1.552 4.817 1.00 2.75 H new ATOM 0 HG2 ARG A 472 13.894 0.165 2.945 1.00 3.26 H new ATOM 0 HG3 ARG A 472 14.062 0.315 4.683 1.00 3.26 H new ATOM 0 HD2 ARG A 472 11.865 -1.200 3.228 1.00 3.92 H new ATOM 0 HD3 ARG A 472 13.240 -1.914 4.046 1.00 3.92 H new ATOM 0 HE ARG A 472 11.583 -0.200 5.762 1.00 4.22 H new ATOM 0 HH11 ARG A 472 12.231 -3.462 4.550 1.00 5.31 H new ATOM 0 HH12 ARG A 472 11.338 -4.246 5.858 1.00 5.31 H new ATOM 0 HH21 ARG A 472 10.417 -1.211 7.409 1.00 5.50 H new ATOM 0 HH22 ARG A 472 10.314 -2.974 7.471 1.00 5.50 H new ATOM 190 N LEU A 473 11.210 1.612 0.306 1.00 1.57 N ATOM 191 CA LEU A 473 11.727 1.577 -1.059 1.00 1.68 C ATOM 192 C LEU A 473 11.505 2.916 -1.767 1.00 1.46 C ATOM 193 O LEU A 473 12.466 3.575 -2.161 1.00 2.00 O ATOM 194 CB LEU A 473 11.140 0.400 -1.874 1.00 2.11 C ATOM 195 CG LEU A 473 9.635 0.432 -2.194 1.00 1.80 C ATOM 196 CD1 LEU A 473 9.298 -0.626 -3.235 1.00 2.32 C ATOM 197 CD2 LEU A 473 8.796 0.210 -0.947 1.00 2.17 C ATOM 0 H LEU A 473 10.215 1.823 0.382 1.00 1.57 H new ATOM 0 HA LEU A 473 12.802 1.408 -0.993 1.00 1.68 H new ATOM 0 HB2 LEU A 473 11.682 0.342 -2.818 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.348 -0.521 -1.330 1.00 2.11 H new ATOM 0 HG LEU A 473 9.401 1.420 -2.589 1.00 1.80 H new ATOM 0 HD11 LEU A 473 8.231 -0.594 -3.454 1.00 2.32 H new ATOM 0 HD12 LEU A 473 9.861 -0.431 -4.148 1.00 2.32 H new ATOM 0 HD13 LEU A 473 9.560 -1.612 -2.850 1.00 2.32 H new ATOM 0 HD21 LEU A 473 7.739 0.239 -1.210 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.036 -0.762 -0.515 1.00 2.17 H new ATOM 0 HD23 LEU A 473 9.011 0.993 -0.220 1.00 2.17 H new ATOM 209 N GLU A 474 10.254 3.324 -1.915 1.00 1.28 N ATOM 210 CA GLU A 474 9.930 4.588 -2.556 1.00 1.36 C ATOM 211 C GLU A 474 8.774 5.274 -1.838 1.00 1.06 C ATOM 212 O GLU A 474 7.629 4.818 -1.882 1.00 1.14 O ATOM 213 CB GLU A 474 9.607 4.351 -4.025 1.00 1.92 C ATOM 214 CG GLU A 474 8.625 3.215 -4.279 1.00 2.48 C ATOM 215 CD GLU A 474 8.570 2.806 -5.738 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.700 3.686 -6.613 1.00 3.36 O ATOM 217 OE2 GLU A 474 8.379 1.605 -6.021 1.00 3.47 O ATOM 0 H GLU A 474 9.442 2.794 -1.598 1.00 1.28 H new ATOM 0 HA GLU A 474 10.793 5.251 -2.495 1.00 1.36 H new ATOM 0 HB2 GLU A 474 9.198 5.269 -4.447 1.00 1.92 H new ATOM 0 HB3 GLU A 474 10.534 4.140 -4.559 1.00 1.92 H new ATOM 0 HG2 GLU A 474 8.908 2.353 -3.675 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.630 3.520 -3.953 1.00 2.48 H new ATOM 224 N GLU A 475 9.091 6.387 -1.191 1.00 0.94 N ATOM 225 CA GLU A 475 8.197 7.003 -0.217 1.00 0.84 C ATOM 226 C GLU A 475 6.986 7.697 -0.823 1.00 0.73 C ATOM 227 O GLU A 475 5.857 7.362 -0.473 1.00 0.73 O ATOM 228 CB GLU A 475 8.964 7.973 0.667 1.00 1.20 C ATOM 229 CG GLU A 475 10.065 7.299 1.455 1.00 1.66 C ATOM 230 CD GLU A 475 10.460 8.091 2.680 1.00 2.13 C ATOM 231 OE1 GLU A 475 11.260 9.037 2.544 1.00 2.79 O ATOM 232 OE2 GLU A 475 9.961 7.778 3.779 1.00 2.49 O ATOM 0 H GLU A 475 9.970 6.887 -1.324 1.00 0.94 H new ATOM 0 HA GLU A 475 7.802 6.179 0.377 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.395 8.759 0.048 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.271 8.455 1.357 1.00 1.20 H new ATOM 0 HG2 GLU A 475 9.736 6.305 1.758 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.937 7.165 0.815 1.00 1.66 H new ATOM 239 N ASP A 476 7.182 8.665 -1.703 1.00 0.88 N ATOM 240 CA ASP A 476 6.036 9.410 -2.210 1.00 0.98 C ATOM 241 C ASP A 476 5.217 8.539 -3.157 1.00 0.85 C ATOM 242 O ASP A 476 4.021 8.760 -3.333 1.00 0.84 O ATOM 243 CB ASP A 476 6.440 10.721 -2.887 1.00 1.36 C ATOM 244 CG ASP A 476 6.939 10.536 -4.299 1.00 2.00 C ATOM 245 OD1 ASP A 476 8.090 10.089 -4.459 1.00 2.43 O ATOM 246 OD2 ASP A 476 6.186 10.831 -5.247 1.00 2.63 O ATOM 0 H ASP A 476 8.089 8.949 -2.072 1.00 0.88 H new ATOM 0 HA ASP A 476 5.421 9.680 -1.352 1.00 0.98 H new ATOM 0 HB2 ASP A 476 5.584 11.395 -2.897 1.00 1.36 H new ATOM 0 HB3 ASP A 476 7.218 11.203 -2.295 1.00 1.36 H new ATOM 251 N ARG A 477 5.868 7.553 -3.769 1.00 0.89 N ATOM 252 CA ARG A 477 5.169 6.533 -4.534 1.00 0.96 C ATOM 253 C ARG A 477 4.180 5.765 -3.665 1.00 0.80 C ATOM 254 O ARG A 477 3.028 5.604 -4.045 1.00 0.85 O ATOM 255 CB ARG A 477 6.157 5.554 -5.163 1.00 1.23 C ATOM 256 CG ARG A 477 6.129 5.553 -6.681 1.00 1.57 C ATOM 257 CD ARG A 477 6.810 6.784 -7.263 1.00 1.89 C ATOM 258 NE ARG A 477 6.179 8.032 -6.835 1.00 1.95 N ATOM 259 CZ ARG A 477 5.247 8.677 -7.549 1.00 2.54 C ATOM 260 NH1 ARG A 477 4.765 8.139 -8.662 1.00 2.96 N ATOM 261 NH2 ARG A 477 4.787 9.850 -7.141 1.00 2.98 N ATOM 0 H ARG A 477 6.882 7.442 -3.748 1.00 0.89 H new ATOM 0 HA ARG A 477 4.617 7.044 -5.323 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.164 5.801 -4.827 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.938 4.549 -4.803 1.00 1.23 H new ATOM 0 HG2 ARG A 477 6.623 4.655 -7.052 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.095 5.513 -7.025 1.00 1.57 H new ATOM 0 HD2 ARG A 477 7.858 6.790 -6.964 1.00 1.89 H new ATOM 0 HD3 ARG A 477 6.789 6.726 -8.351 1.00 1.89 H new ATOM 0 HE ARG A 477 6.465 8.434 -5.942 1.00 1.95 H new ATOM 0 HH11 ARG A 477 5.104 7.230 -8.978 1.00 2.96 H new ATOM 0 HH12 ARG A 477 4.055 8.634 -9.202 1.00 2.96 H new ATOM 0 HH21 ARG A 477 5.142 10.266 -6.280 1.00 2.98 H new ATOM 0 HH22 ARG A 477 4.077 10.338 -7.688 1.00 2.98 H new ATOM 275 N LYS A 478 4.626 5.300 -2.500 1.00 0.77 N ATOM 276 CA LYS A 478 3.766 4.518 -1.621 1.00 0.90 C ATOM 277 C LYS A 478 2.780 5.420 -0.899 1.00 0.74 C ATOM 278 O LYS A 478 1.676 5.006 -0.571 1.00 0.80 O ATOM 279 CB LYS A 478 4.596 3.702 -0.629 1.00 1.21 C ATOM 280 CG LYS A 478 5.469 4.520 0.306 1.00 1.27 C ATOM 281 CD LYS A 478 6.659 3.702 0.774 1.00 1.66 C ATOM 282 CE LYS A 478 7.560 4.473 1.726 1.00 1.97 C ATOM 283 NZ LYS A 478 6.998 4.559 3.095 1.00 2.30 N ATOM 0 H LYS A 478 5.571 5.451 -2.147 1.00 0.77 H new ATOM 0 HA LYS A 478 3.198 3.817 -2.233 1.00 0.90 H new ATOM 0 HB2 LYS A 478 3.921 3.092 -0.029 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.233 3.017 -1.189 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.816 5.419 -0.204 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.884 4.847 1.166 1.00 1.27 H new ATOM 0 HD2 LYS A 478 6.302 2.799 1.269 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.239 3.383 -0.092 1.00 1.66 H new ATOM 0 HE2 LYS A 478 8.537 3.991 1.767 1.00 1.97 H new ATOM 0 HE3 LYS A 478 7.717 5.479 1.337 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 7.755 4.404 3.791 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.581 5.500 3.240 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 6.264 3.833 3.215 1.00 2.30 H new ATOM 297 N ARG A 479 3.192 6.653 -0.652 1.00 0.71 N ATOM 298 CA ARG A 479 2.275 7.683 -0.169 1.00 0.86 C ATOM 299 C ARG A 479 1.159 7.910 -1.181 1.00 0.80 C ATOM 300 O ARG A 479 -0.018 7.938 -0.833 1.00 0.90 O ATOM 301 CB ARG A 479 3.009 9.002 0.090 1.00 1.09 C ATOM 302 CG ARG A 479 3.611 9.117 1.482 1.00 1.22 C ATOM 303 CD ARG A 479 2.539 9.024 2.560 1.00 1.88 C ATOM 304 NE ARG A 479 1.429 9.952 2.323 1.00 2.47 N ATOM 305 CZ ARG A 479 0.348 10.036 3.102 1.00 3.27 C ATOM 306 NH1 ARG A 479 0.285 9.345 4.233 1.00 3.65 N ATOM 307 NH2 ARG A 479 -0.656 10.832 2.766 1.00 4.14 N ATOM 0 H ARG A 479 4.154 6.969 -0.777 1.00 0.71 H new ATOM 0 HA ARG A 479 1.848 7.335 0.772 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.804 9.114 -0.648 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.314 9.828 -0.063 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.346 8.326 1.629 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.140 10.065 1.574 1.00 1.22 H new ATOM 0 HD2 ARG A 479 2.155 8.005 2.600 1.00 1.88 H new ATOM 0 HD3 ARG A 479 2.985 9.235 3.532 1.00 1.88 H new ATOM 0 HE ARG A 479 1.486 10.571 1.514 1.00 2.47 H new ATOM 0 HH11 ARG A 479 1.064 8.747 4.510 1.00 3.65 H new ATOM 0 HH12 ARG A 479 -0.542 9.411 4.826 1.00 3.65 H new ATOM 0 HH21 ARG A 479 -0.605 11.384 1.909 1.00 4.14 H new ATOM 0 HH22 ARG A 479 -1.480 10.893 3.364 1.00 4.14 H new ATOM 321 N TYR A 480 1.539 8.056 -2.440 1.00 0.83 N ATOM 322 CA TYR A 480 0.577 8.246 -3.516 1.00 1.03 C ATOM 323 C TYR A 480 -0.277 6.993 -3.666 1.00 0.82 C ATOM 324 O TYR A 480 -1.506 7.058 -3.792 1.00 0.82 O ATOM 325 CB TYR A 480 1.321 8.548 -4.821 1.00 1.44 C ATOM 326 CG TYR A 480 0.429 8.888 -5.991 1.00 1.81 C ATOM 327 CD1 TYR A 480 -0.411 9.991 -5.943 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.423 8.106 -7.138 1.00 2.00 C ATOM 329 CE1 TYR A 480 -1.242 10.301 -6.998 1.00 2.45 C ATOM 330 CE2 TYR A 480 -0.402 8.411 -8.200 1.00 2.36 C ATOM 331 CZ TYR A 480 -1.187 9.518 -8.159 1.00 2.55 C ATOM 332 OH TYR A 480 -2.062 9.811 -9.183 1.00 2.93 O ATOM 0 H TYR A 480 2.513 8.047 -2.744 1.00 0.83 H new ATOM 0 HA TYR A 480 -0.075 9.087 -3.281 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.005 9.379 -4.649 1.00 1.44 H new ATOM 0 HB3 TYR A 480 1.930 7.683 -5.085 1.00 1.44 H new ATOM 0 HD1 TYR A 480 -0.414 10.618 -5.064 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.074 7.246 -7.199 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.925 11.135 -6.931 1.00 2.45 H new ATOM 0 HE2 TYR A 480 -0.424 7.767 -9.067 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.914 9.191 -9.927 1.00 2.93 H new ATOM 342 N LEU A 481 0.397 5.851 -3.613 1.00 0.91 N ATOM 343 CA LEU A 481 -0.243 4.555 -3.743 1.00 1.15 C ATOM 344 C LEU A 481 -1.291 4.350 -2.656 1.00 1.03 C ATOM 345 O LEU A 481 -2.365 3.854 -2.941 1.00 1.19 O ATOM 346 CB LEU A 481 0.816 3.440 -3.707 1.00 1.66 C ATOM 347 CG LEU A 481 0.324 2.024 -4.042 1.00 2.09 C ATOM 348 CD1 LEU A 481 1.459 1.200 -4.632 1.00 2.68 C ATOM 349 CD2 LEU A 481 -0.221 1.330 -2.801 1.00 2.73 C ATOM 0 H LEU A 481 1.407 5.801 -3.478 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.757 4.516 -4.704 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.611 3.700 -4.406 1.00 1.66 H new ATOM 0 HB3 LEU A 481 1.260 3.422 -2.712 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.479 2.110 -4.774 1.00 2.09 H new ATOM 0 HD11 LEU A 481 1.098 0.198 -4.865 1.00 2.68 H new ATOM 0 HD12 LEU A 481 1.820 1.677 -5.543 1.00 2.68 H new ATOM 0 HD13 LEU A 481 2.273 1.133 -3.911 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -0.563 0.329 -3.064 1.00 2.73 H new ATOM 0 HD22 LEU A 481 0.565 1.259 -2.049 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -1.056 1.905 -2.400 1.00 2.73 H new ATOM 361 N MET A 482 -0.992 4.746 -1.420 1.00 1.05 N ATOM 362 CA MET A 482 -1.948 4.567 -0.328 1.00 1.49 C ATOM 363 C MET A 482 -3.077 5.582 -0.426 1.00 1.39 C ATOM 364 O MET A 482 -4.210 5.292 -0.040 1.00 1.65 O ATOM 365 CB MET A 482 -1.271 4.623 1.055 1.00 2.05 C ATOM 366 CG MET A 482 -0.546 5.924 1.389 1.00 3.10 C ATOM 367 SD MET A 482 -1.644 7.303 1.783 1.00 4.00 S ATOM 368 CE MET A 482 -2.549 6.646 3.178 1.00 4.93 C ATOM 0 H MET A 482 -0.111 5.185 -1.152 1.00 1.05 H new ATOM 0 HA MET A 482 -2.372 3.568 -0.432 1.00 1.49 H new ATOM 0 HB2 MET A 482 -2.030 4.446 1.817 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.556 3.803 1.122 1.00 2.05 H new ATOM 0 HG2 MET A 482 0.118 5.750 2.235 1.00 3.10 H new ATOM 0 HG3 MET A 482 0.082 6.204 0.543 1.00 3.10 H new ATOM 0 HE1 MET A 482 -3.175 7.428 3.607 1.00 4.93 H new ATOM 0 HE2 MET A 482 -3.177 5.819 2.847 1.00 4.93 H new ATOM 0 HE3 MET A 482 -1.847 6.290 3.932 1.00 4.93 H new ATOM 378 N THR A 483 -2.772 6.763 -0.965 1.00 1.25 N ATOM 379 CA THR A 483 -3.787 7.785 -1.173 1.00 1.59 C ATOM 380 C THR A 483 -4.842 7.260 -2.137 1.00 1.32 C ATOM 381 O THR A 483 -6.038 7.511 -1.982 1.00 1.59 O ATOM 382 CB THR A 483 -3.173 9.089 -1.732 1.00 1.93 C ATOM 383 OG1 THR A 483 -2.128 9.554 -0.865 1.00 2.27 O ATOM 384 CG2 THR A 483 -4.230 10.178 -1.878 1.00 2.46 C ATOM 0 H THR A 483 -1.834 7.031 -1.263 1.00 1.25 H new ATOM 0 HA THR A 483 -4.241 8.015 -0.209 1.00 1.59 H new ATOM 0 HB THR A 483 -2.763 8.868 -2.717 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.378 8.924 -0.889 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.768 11.083 -2.273 1.00 2.46 H new ATOM 0 HG22 THR A 483 -5.009 9.840 -2.562 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.670 10.391 -0.904 1.00 2.46 H new ATOM 392 N LEU A 484 -4.379 6.509 -3.117 1.00 0.92 N ATOM 393 CA LEU A 484 -5.264 5.876 -4.073 1.00 0.90 C ATOM 394 C LEU A 484 -5.848 4.582 -3.509 1.00 0.84 C ATOM 395 O LEU A 484 -7.062 4.381 -3.537 1.00 0.91 O ATOM 396 CB LEU A 484 -4.516 5.582 -5.374 1.00 1.15 C ATOM 397 CG LEU A 484 -3.941 6.805 -6.090 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.204 6.378 -7.349 1.00 2.28 C ATOM 399 CD2 LEU A 484 -5.042 7.800 -6.426 1.00 2.20 C ATOM 0 H LEU A 484 -3.388 6.322 -3.272 1.00 0.92 H new ATOM 0 HA LEU A 484 -6.084 6.564 -4.277 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -3.700 4.892 -5.157 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -5.194 5.069 -6.055 1.00 1.15 H new ATOM 0 HG LEU A 484 -3.234 7.296 -5.422 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -2.799 7.258 -7.850 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -2.389 5.705 -7.083 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -3.894 5.865 -8.018 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -4.611 8.662 -6.935 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -5.776 7.325 -7.077 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -5.529 8.127 -5.508 1.00 2.20 H new ATOM 411 N LEU A 485 -4.984 3.725 -2.969 1.00 1.02 N ATOM 412 CA LEU A 485 -5.377 2.371 -2.592 1.00 1.47 C ATOM 413 C LEU A 485 -6.472 2.381 -1.544 1.00 1.75 C ATOM 414 O LEU A 485 -7.421 1.599 -1.628 1.00 1.92 O ATOM 415 CB LEU A 485 -4.172 1.590 -2.083 1.00 1.90 C ATOM 416 CG LEU A 485 -4.441 0.127 -1.739 1.00 2.48 C ATOM 417 CD1 LEU A 485 -4.877 -0.647 -2.972 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.210 -0.505 -1.126 1.00 3.10 C ATOM 0 H LEU A 485 -4.006 3.946 -2.783 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.769 1.881 -3.483 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.388 1.630 -2.839 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -3.785 2.090 -1.195 1.00 1.90 H new ATOM 0 HG LEU A 485 -5.251 0.091 -1.011 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -5.063 -1.687 -2.702 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -5.790 -0.207 -3.373 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -4.091 -0.603 -3.726 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -3.417 -1.548 -0.886 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -2.383 -0.453 -1.834 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -2.941 0.030 -0.215 1.00 3.10 H new ATOM 430 N ASP A 486 -6.353 3.296 -0.589 1.00 1.95 N ATOM 431 CA ASP A 486 -7.321 3.430 0.497 1.00 2.47 C ATOM 432 C ASP A 486 -8.746 3.524 -0.057 1.00 2.33 C ATOM 433 O ASP A 486 -9.708 3.100 0.588 1.00 2.75 O ATOM 434 CB ASP A 486 -6.987 4.678 1.320 1.00 2.90 C ATOM 435 CG ASP A 486 -7.737 4.760 2.636 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.928 5.151 2.623 1.00 3.86 O ATOM 437 OD2 ASP A 486 -7.159 4.399 3.681 1.00 3.72 O ATOM 0 H ASP A 486 -5.585 3.966 -0.544 1.00 1.95 H new ATOM 0 HA ASP A 486 -7.265 2.548 1.135 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.916 4.694 1.521 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -7.213 5.564 0.727 1.00 2.90 H new ATOM 442 N ASP A 487 -8.870 4.037 -1.278 1.00 1.85 N ATOM 443 CA ASP A 487 -10.173 4.204 -1.902 1.00 1.83 C ATOM 444 C ASP A 487 -10.170 3.712 -3.360 1.00 1.35 C ATOM 445 O ASP A 487 -10.970 4.167 -4.176 1.00 1.40 O ATOM 446 CB ASP A 487 -10.588 5.681 -1.822 1.00 2.05 C ATOM 447 CG ASP A 487 -12.024 5.933 -2.248 1.00 2.41 C ATOM 448 OD1 ASP A 487 -12.949 5.362 -1.631 1.00 2.77 O ATOM 449 OD2 ASP A 487 -12.240 6.729 -3.186 1.00 2.59 O ATOM 0 H ASP A 487 -8.084 4.343 -1.852 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.899 3.595 -1.363 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -10.454 6.032 -0.799 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -9.922 6.271 -2.451 1.00 2.05 H new ATOM 454 N ILE A 488 -9.256 2.795 -3.703 1.00 1.14 N ATOM 455 CA ILE A 488 -9.281 2.183 -5.041 1.00 1.13 C ATOM 456 C ILE A 488 -10.609 1.469 -5.288 1.00 1.43 C ATOM 457 O ILE A 488 -11.421 1.913 -6.099 1.00 2.27 O ATOM 458 CB ILE A 488 -8.134 1.170 -5.299 1.00 1.34 C ATOM 459 CG1 ILE A 488 -6.783 1.871 -5.429 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.409 0.363 -6.565 1.00 1.77 C ATOM 461 CD1 ILE A 488 -6.742 2.930 -6.516 1.00 1.67 C ATOM 0 H ILE A 488 -8.508 2.466 -3.092 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.147 3.017 -5.730 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.094 0.501 -4.440 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.531 2.334 -4.475 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.015 1.125 -5.633 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.595 -0.342 -6.731 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.345 -0.184 -6.452 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -8.484 1.038 -7.418 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -5.751 3.382 -6.546 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -6.961 2.471 -7.480 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -7.485 3.699 -6.303 1.00 1.67 H new ATOM 473 N LYS A 489 -10.833 0.364 -4.584 1.00 1.42 N ATOM 474 CA LYS A 489 -12.042 -0.421 -4.779 1.00 1.75 C ATOM 475 C LYS A 489 -12.555 -0.956 -3.450 1.00 1.29 C ATOM 476 O LYS A 489 -13.581 -0.501 -2.943 1.00 1.88 O ATOM 477 CB LYS A 489 -11.779 -1.577 -5.753 1.00 2.46 C ATOM 478 CG LYS A 489 -13.036 -2.329 -6.162 1.00 3.04 C ATOM 479 CD LYS A 489 -12.718 -3.488 -7.095 1.00 3.88 C ATOM 480 CE LYS A 489 -13.978 -4.210 -7.543 1.00 4.70 C ATOM 481 NZ LYS A 489 -14.755 -4.747 -6.395 1.00 5.28 N ATOM 0 H LYS A 489 -10.196 -0.005 -3.878 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.806 0.228 -5.207 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -11.294 -1.184 -6.647 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -11.081 -2.277 -5.293 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.541 -2.706 -5.272 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -13.726 -1.644 -6.654 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -12.182 -3.116 -7.968 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -12.056 -4.191 -6.590 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -14.604 -3.525 -8.114 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -13.708 -5.028 -8.211 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -15.497 -5.385 -6.746 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -14.119 -5.272 -5.761 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -15.193 -3.961 -5.874 1.00 5.28 H new ATOM 495 N GLY A 490 -11.831 -1.904 -2.872 1.00 0.91 N ATOM 496 CA GLY A 490 -12.270 -2.506 -1.634 1.00 0.96 C ATOM 497 C GLY A 490 -11.181 -3.314 -0.961 1.00 0.67 C ATOM 498 O GLY A 490 -10.000 -3.160 -1.279 1.00 0.69 O ATOM 0 H GLY A 490 -10.950 -2.265 -3.239 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -12.610 -1.724 -0.955 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -13.126 -3.151 -1.832 1.00 0.96 H new ATOM 502 N ALA A 491 -11.582 -4.210 -0.066 1.00 0.70 N ATOM 503 CA ALA A 491 -10.644 -4.971 0.749 1.00 0.84 C ATOM 504 C ALA A 491 -9.869 -5.988 -0.083 1.00 0.71 C ATOM 505 O ALA A 491 -8.718 -6.293 0.220 1.00 0.69 O ATOM 506 CB ALA A 491 -11.380 -5.666 1.882 1.00 1.22 C ATOM 0 H ALA A 491 -12.562 -4.428 0.114 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.922 -4.270 1.167 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.669 -6.232 2.485 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -11.873 -4.921 2.507 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.126 -6.345 1.469 1.00 1.22 H new ATOM 512 N ASN A 492 -10.502 -6.508 -1.131 1.00 0.73 N ATOM 513 CA ASN A 492 -9.847 -7.467 -2.023 1.00 0.78 C ATOM 514 C ASN A 492 -8.649 -6.812 -2.701 1.00 0.65 C ATOM 515 O ASN A 492 -7.592 -7.426 -2.871 1.00 0.67 O ATOM 516 CB ASN A 492 -10.819 -7.981 -3.096 1.00 1.00 C ATOM 517 CG ASN A 492 -12.084 -8.596 -2.521 1.00 1.61 C ATOM 518 OD1 ASN A 492 -13.069 -7.897 -2.286 1.00 2.38 O ATOM 519 ND2 ASN A 492 -12.077 -9.905 -2.316 1.00 2.19 N ATOM 0 H ASN A 492 -11.464 -6.284 -1.385 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.515 -8.313 -1.421 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.092 -7.156 -3.754 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.310 -8.723 -3.711 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -12.909 -10.368 -1.951 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -11.240 -10.449 -2.524 1.00 2.19 H new ATOM 526 N ASP A 493 -8.818 -5.549 -3.067 1.00 0.63 N ATOM 527 CA ASP A 493 -7.777 -4.802 -3.762 1.00 0.69 C ATOM 528 C ASP A 493 -6.699 -4.368 -2.780 1.00 0.62 C ATOM 529 O ASP A 493 -5.505 -4.443 -3.078 1.00 0.66 O ATOM 530 CB ASP A 493 -8.384 -3.587 -4.464 1.00 0.86 C ATOM 531 CG ASP A 493 -7.431 -2.955 -5.457 1.00 1.33 C ATOM 532 OD1 ASP A 493 -7.316 -3.462 -6.585 1.00 1.46 O ATOM 533 OD2 ASP A 493 -6.776 -1.954 -5.094 1.00 1.97 O ATOM 0 H ASP A 493 -9.671 -5.017 -2.893 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.320 -5.446 -4.514 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.295 -3.888 -4.981 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -8.670 -2.846 -3.718 1.00 0.86 H new ATOM 538 N LEU A 494 -7.130 -3.931 -1.598 1.00 0.61 N ATOM 539 CA LEU A 494 -6.212 -3.590 -0.515 1.00 0.69 C ATOM 540 C LEU A 494 -5.280 -4.762 -0.230 1.00 0.57 C ATOM 541 O LEU A 494 -4.062 -4.602 -0.132 1.00 0.56 O ATOM 542 CB LEU A 494 -6.990 -3.241 0.760 1.00 0.91 C ATOM 543 CG LEU A 494 -7.842 -1.971 0.690 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.694 -1.833 1.940 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.959 -0.747 0.516 1.00 1.77 C ATOM 0 H LEU A 494 -8.115 -3.805 -1.366 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.626 -2.724 -0.824 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.640 -4.080 1.008 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.280 -3.135 1.580 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.503 -2.048 -0.174 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -9.293 -0.925 1.873 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.353 -2.697 2.028 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -8.048 -1.778 2.816 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -7.581 0.147 0.468 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -6.275 -0.668 1.361 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -6.386 -0.840 -0.407 1.00 1.77 H new ATOM 557 N ALA A 495 -5.869 -5.945 -0.118 1.00 0.56 N ATOM 558 CA ALA A 495 -5.118 -7.157 0.165 1.00 0.59 C ATOM 559 C ALA A 495 -4.171 -7.486 -0.983 1.00 0.55 C ATOM 560 O ALA A 495 -3.061 -7.969 -0.759 1.00 0.58 O ATOM 561 CB ALA A 495 -6.063 -8.321 0.427 1.00 0.68 C ATOM 0 H ALA A 495 -6.874 -6.090 -0.220 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.522 -6.987 1.061 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.483 -9.220 0.637 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.697 -8.090 1.283 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.687 -8.488 -0.451 1.00 0.68 H new ATOM 567 N LYS A 496 -4.611 -7.217 -2.210 1.00 0.59 N ATOM 568 CA LYS A 496 -3.772 -7.442 -3.381 1.00 0.68 C ATOM 569 C LYS A 496 -2.506 -6.596 -3.318 1.00 0.63 C ATOM 570 O LYS A 496 -1.409 -7.133 -3.375 1.00 0.65 O ATOM 571 CB LYS A 496 -4.538 -7.148 -4.673 1.00 0.85 C ATOM 572 CG LYS A 496 -3.654 -7.094 -5.917 1.00 1.29 C ATOM 573 CD LYS A 496 -2.870 -8.385 -6.133 1.00 1.77 C ATOM 574 CE LYS A 496 -1.974 -8.275 -7.355 1.00 2.53 C ATOM 575 NZ LYS A 496 -1.244 -9.538 -7.632 1.00 2.98 N ATOM 0 H LYS A 496 -5.538 -6.845 -2.417 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.486 -8.494 -3.381 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.301 -7.914 -4.814 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.058 -6.196 -4.567 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.275 -6.899 -6.792 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -2.958 -6.260 -5.828 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.266 -8.600 -5.252 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.561 -9.219 -6.257 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -2.577 -8.009 -8.223 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -1.257 -7.468 -7.206 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -0.646 -9.416 -8.474 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -0.647 -9.780 -6.815 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -1.927 -10.304 -7.801 1.00 2.98 H new ATOM 589 N PHE A 497 -2.658 -5.281 -3.189 1.00 0.64 N ATOM 590 CA PHE A 497 -1.502 -4.383 -3.142 1.00 0.70 C ATOM 591 C PHE A 497 -0.727 -4.552 -1.841 1.00 0.62 C ATOM 592 O PHE A 497 0.441 -4.180 -1.742 1.00 0.67 O ATOM 593 CB PHE A 497 -1.935 -2.930 -3.339 1.00 0.84 C ATOM 594 CG PHE A 497 -2.140 -2.573 -4.783 1.00 0.98 C ATOM 595 CD1 PHE A 497 -3.288 -2.959 -5.458 1.00 1.27 C ATOM 596 CD2 PHE A 497 -1.177 -1.849 -5.469 1.00 1.34 C ATOM 597 CE1 PHE A 497 -3.466 -2.638 -6.789 1.00 1.72 C ATOM 598 CE2 PHE A 497 -1.351 -1.526 -6.801 1.00 1.67 C ATOM 599 CZ PHE A 497 -2.499 -1.914 -7.459 1.00 1.82 C ATOM 0 H PHE A 497 -3.562 -4.814 -3.115 1.00 0.64 H new ATOM 0 HA PHE A 497 -0.835 -4.651 -3.962 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -2.861 -2.755 -2.791 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.181 -2.270 -2.910 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -4.052 -3.517 -4.937 1.00 1.27 H new ATOM 0 HD2 PHE A 497 -0.280 -1.534 -4.956 1.00 1.34 H new ATOM 0 HE1 PHE A 497 -4.361 -2.953 -7.306 1.00 1.72 H new ATOM 0 HE2 PHE A 497 -0.589 -0.970 -7.326 1.00 1.67 H new ATOM 0 HZ PHE A 497 -2.642 -1.652 -8.497 1.00 1.82 H new ATOM 609 N HIS A 498 -1.381 -5.143 -0.855 1.00 0.57 N ATOM 610 CA HIS A 498 -0.737 -5.478 0.406 1.00 0.62 C ATOM 611 C HIS A 498 0.261 -6.595 0.171 1.00 0.54 C ATOM 612 O HIS A 498 1.471 -6.429 0.377 1.00 0.56 O ATOM 613 CB HIS A 498 -1.792 -5.906 1.439 1.00 0.75 C ATOM 614 CG HIS A 498 -1.233 -6.477 2.705 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.618 -5.885 3.755 1.00 1.62 N flip ATOM 616 CD2 HIS A 498 -1.298 -7.818 3.012 1.00 1.49 C flip ATOM 617 CE1 HIS A 498 -0.329 -6.871 4.662 1.00 1.85 C flip ATOM 618 NE2 HIS A 498 -0.750 -8.026 4.191 1.00 1.69 N flip ATOM 0 H HIS A 498 -2.366 -5.403 -0.904 1.00 0.57 H new ATOM 0 HA HIS A 498 -0.213 -4.605 0.795 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.409 -5.042 1.687 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -2.449 -6.646 0.982 1.00 0.75 H new ATOM 0 HD2 HIS A 498 -1.732 -8.581 2.383 1.00 1.49 H new ATOM 0 HE1 HIS A 498 0.165 -6.724 5.611 1.00 1.85 H new ATOM 0 HE2 HIS A 498 -0.666 -8.928 4.660 1.00 1.69 H new ATOM 627 N GLN A 499 -0.258 -7.723 -0.295 1.00 0.54 N ATOM 628 CA GLN A 499 0.564 -8.878 -0.593 1.00 0.60 C ATOM 629 C GLN A 499 1.523 -8.553 -1.727 1.00 0.53 C ATOM 630 O GLN A 499 2.597 -9.121 -1.814 1.00 0.54 O ATOM 631 CB GLN A 499 -0.316 -10.077 -0.963 1.00 0.77 C ATOM 632 CG GLN A 499 0.452 -11.382 -1.112 1.00 1.43 C ATOM 633 CD GLN A 499 -0.458 -12.575 -1.325 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.902 -13.211 -0.368 1.00 2.63 O ATOM 635 NE2 GLN A 499 -0.737 -12.894 -2.578 1.00 2.58 N ATOM 0 H GLN A 499 -1.253 -7.859 -0.474 1.00 0.54 H new ATOM 0 HA GLN A 499 1.143 -9.137 0.293 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.082 -10.203 -0.198 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.832 -9.862 -1.899 1.00 0.77 H new ATOM 0 HG2 GLN A 499 1.140 -11.300 -1.954 1.00 1.43 H new ATOM 0 HG3 GLN A 499 1.057 -11.546 -0.221 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.350 -12.342 -3.343 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -1.340 -13.692 -2.779 1.00 2.58 H new ATOM 644 N MET A 500 1.133 -7.609 -2.569 1.00 0.54 N ATOM 645 CA MET A 500 1.939 -7.214 -3.713 1.00 0.63 C ATOM 646 C MET A 500 3.266 -6.607 -3.274 1.00 0.57 C ATOM 647 O MET A 500 4.338 -7.086 -3.646 1.00 0.58 O ATOM 648 CB MET A 500 1.179 -6.219 -4.592 1.00 0.80 C ATOM 649 CG MET A 500 2.000 -5.665 -5.745 1.00 1.26 C ATOM 650 SD MET A 500 1.069 -4.507 -6.768 1.00 1.91 S ATOM 651 CE MET A 500 2.359 -3.928 -7.869 1.00 2.52 C ATOM 0 H MET A 500 0.255 -7.098 -2.480 1.00 0.54 H new ATOM 0 HA MET A 500 2.148 -8.114 -4.292 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.291 -6.708 -4.993 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.835 -5.391 -3.973 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.884 -5.165 -5.349 1.00 1.26 H new ATOM 0 HG3 MET A 500 2.352 -6.490 -6.365 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.943 -3.202 -8.567 1.00 2.52 H new ATOM 0 HE2 MET A 500 3.151 -3.458 -7.286 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.769 -4.771 -8.425 1.00 2.52 H new ATOM 661 N LEU A 501 3.200 -5.559 -2.471 1.00 0.59 N ATOM 662 CA LEU A 501 4.406 -4.861 -2.075 1.00 0.65 C ATOM 663 C LEU A 501 5.181 -5.658 -1.034 1.00 0.56 C ATOM 664 O LEU A 501 6.410 -5.595 -0.986 1.00 0.62 O ATOM 665 CB LEU A 501 4.083 -3.463 -1.563 1.00 0.85 C ATOM 666 CG LEU A 501 3.218 -2.619 -2.505 1.00 1.30 C ATOM 667 CD1 LEU A 501 2.987 -1.238 -1.928 1.00 2.09 C ATOM 668 CD2 LEU A 501 3.856 -2.508 -3.879 1.00 1.91 C ATOM 0 H LEU A 501 2.336 -5.178 -2.086 1.00 0.59 H new ATOM 0 HA LEU A 501 5.039 -4.758 -2.956 1.00 0.65 H new ATOM 0 HB2 LEU A 501 3.572 -3.551 -0.604 1.00 0.85 H new ATOM 0 HB3 LEU A 501 5.018 -2.934 -1.378 1.00 0.85 H new ATOM 0 HG LEU A 501 2.256 -3.121 -2.610 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.371 -0.656 -2.613 1.00 2.09 H new ATOM 0 HD12 LEU A 501 2.479 -1.325 -0.968 1.00 2.09 H new ATOM 0 HD13 LEU A 501 3.945 -0.737 -1.787 1.00 2.09 H new ATOM 0 HD21 LEU A 501 3.221 -1.904 -4.527 1.00 1.91 H new ATOM 0 HD22 LEU A 501 4.835 -2.037 -3.789 1.00 1.91 H new ATOM 0 HD23 LEU A 501 3.970 -3.503 -4.309 1.00 1.91 H new ATOM 680 N VAL A 502 4.480 -6.436 -0.212 1.00 0.53 N ATOM 681 CA VAL A 502 5.176 -7.319 0.716 1.00 0.64 C ATOM 682 C VAL A 502 5.758 -8.515 -0.048 1.00 0.61 C ATOM 683 O VAL A 502 6.648 -9.207 0.441 1.00 0.73 O ATOM 684 CB VAL A 502 4.272 -7.792 1.884 1.00 0.86 C ATOM 685 CG1 VAL A 502 3.222 -8.787 1.422 1.00 1.11 C ATOM 686 CG2 VAL A 502 5.111 -8.382 3.007 1.00 1.02 C ATOM 0 H VAL A 502 3.462 -6.473 -0.169 1.00 0.53 H new ATOM 0 HA VAL A 502 5.986 -6.749 1.170 1.00 0.64 H new ATOM 0 HB VAL A 502 3.746 -6.916 2.263 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.611 -9.092 2.272 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.588 -8.322 0.667 1.00 1.11 H new ATOM 0 HG13 VAL A 502 3.713 -9.662 0.995 1.00 1.11 H new ATOM 0 HG21 VAL A 502 4.458 -8.708 3.817 1.00 1.02 H new ATOM 0 HG22 VAL A 502 5.675 -9.235 2.630 1.00 1.02 H new ATOM 0 HG23 VAL A 502 5.802 -7.626 3.380 1.00 1.02 H new ATOM 696 N LYS A 503 5.248 -8.740 -1.260 1.00 0.58 N ATOM 697 CA LYS A 503 5.826 -9.715 -2.180 1.00 0.71 C ATOM 698 C LYS A 503 7.063 -9.121 -2.846 1.00 0.69 C ATOM 699 O LYS A 503 7.974 -9.838 -3.258 1.00 0.84 O ATOM 700 CB LYS A 503 4.803 -10.121 -3.242 1.00 0.88 C ATOM 701 CG LYS A 503 5.178 -11.349 -4.043 1.00 1.35 C ATOM 702 CD LYS A 503 4.088 -11.703 -5.043 1.00 1.44 C ATOM 703 CE LYS A 503 4.367 -13.039 -5.710 1.00 2.04 C ATOM 704 NZ LYS A 503 4.517 -14.140 -4.717 1.00 2.54 N ATOM 0 H LYS A 503 4.429 -8.255 -1.627 1.00 0.58 H new ATOM 0 HA LYS A 503 6.111 -10.604 -1.618 1.00 0.71 H new ATOM 0 HB2 LYS A 503 3.845 -10.300 -2.754 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.660 -9.286 -3.928 1.00 0.88 H new ATOM 0 HG2 LYS A 503 6.116 -11.171 -4.570 1.00 1.35 H new ATOM 0 HG3 LYS A 503 5.345 -12.190 -3.369 1.00 1.35 H new ATOM 0 HD2 LYS A 503 3.124 -11.741 -4.536 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.019 -10.923 -5.801 1.00 1.44 H new ATOM 0 HE2 LYS A 503 3.554 -13.278 -6.396 1.00 2.04 H new ATOM 0 HE3 LYS A 503 5.276 -12.963 -6.307 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 4.351 -15.054 -5.184 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 5.479 -14.123 -4.322 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 3.826 -14.013 -3.950 1.00 2.54 H new ATOM 718 N ILE A 504 7.075 -7.800 -2.981 1.00 0.62 N ATOM 719 CA ILE A 504 8.273 -7.097 -3.422 1.00 0.73 C ATOM 720 C ILE A 504 9.391 -7.292 -2.397 1.00 0.73 C ATOM 721 O ILE A 504 10.562 -7.443 -2.752 1.00 0.85 O ATOM 722 CB ILE A 504 8.013 -5.590 -3.650 1.00 0.87 C ATOM 723 CG1 ILE A 504 7.029 -5.402 -4.807 1.00 1.30 C ATOM 724 CG2 ILE A 504 9.317 -4.847 -3.929 1.00 1.34 C ATOM 725 CD1 ILE A 504 6.782 -3.954 -5.165 1.00 1.75 C ATOM 0 H ILE A 504 6.274 -7.197 -2.793 1.00 0.62 H new ATOM 0 HA ILE A 504 8.574 -7.520 -4.380 1.00 0.73 H new ATOM 0 HB ILE A 504 7.578 -5.171 -2.743 1.00 0.87 H new ATOM 0 HG12 ILE A 504 7.410 -5.924 -5.685 1.00 1.30 H new ATOM 0 HG13 ILE A 504 6.080 -5.869 -4.545 1.00 1.30 H new ATOM 0 HG21 ILE A 504 9.107 -3.789 -4.086 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.990 -4.961 -3.079 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.787 -5.260 -4.822 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.075 -3.899 -5.993 1.00 1.75 H new ATOM 0 HD12 ILE A 504 6.371 -3.431 -4.302 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.722 -3.487 -5.459 1.00 1.75 H new ATOM 737 N ILE A 505 9.010 -7.303 -1.123 1.00 0.71 N ATOM 738 CA ILE A 505 9.947 -7.598 -0.044 1.00 0.85 C ATOM 739 C ILE A 505 10.371 -9.067 -0.087 1.00 0.97 C ATOM 740 O ILE A 505 11.563 -9.383 -0.090 1.00 1.20 O ATOM 741 CB ILE A 505 9.328 -7.283 1.340 1.00 1.10 C ATOM 742 CG1 ILE A 505 8.870 -5.823 1.395 1.00 1.49 C ATOM 743 CG2 ILE A 505 10.330 -7.570 2.452 1.00 1.83 C ATOM 744 CD1 ILE A 505 8.174 -5.447 2.688 1.00 2.19 C ATOM 745 OXT ILE A 505 9.459 -9.925 -0.118 1.00 1.58 O ATOM 0 H ILE A 505 8.058 -7.111 -0.812 1.00 0.71 H new ATOM 0 HA ILE A 505 10.821 -6.964 -0.188 1.00 0.85 H new ATOM 0 HB ILE A 505 8.460 -7.926 1.487 1.00 1.10 H new ATOM 0 HG12 ILE A 505 9.736 -5.175 1.258 1.00 1.49 H new ATOM 0 HG13 ILE A 505 8.194 -5.633 0.561 1.00 1.49 H new ATOM 0 HG21 ILE A 505 9.877 -7.343 3.417 1.00 1.83 H new ATOM 0 HG22 ILE A 505 10.614 -8.622 2.423 1.00 1.83 H new ATOM 0 HG23 ILE A 505 11.216 -6.951 2.312 1.00 1.83 H new ATOM 0 HD11 ILE A 505 7.880 -4.398 2.651 1.00 2.19 H new ATOM 0 HD12 ILE A 505 7.288 -6.068 2.818 1.00 2.19 H new ATOM 0 HD13 ILE A 505 8.853 -5.604 3.526 1.00 2.19 H new TER 757 ILE A 505