USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 32:sc= -2.14! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00256 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= -0.0059 (180deg=-0.0479) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.686) USER MOD Single : A 47 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 100:sc= 1.32 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.162 0.566 -1.587 1.00 72.21 N ATOM 2 CA SER A 1 2.156 0.597 -0.521 1.00 21.12 C ATOM 3 C SER A 1 3.131 -0.569 -0.653 1.00 45.33 C ATOM 4 O SER A 1 3.329 -1.337 0.287 1.00 4.45 O ATOM 5 CB SER A 1 1.469 0.549 0.846 1.00 10.44 C ATOM 6 OG SER A 1 0.761 1.750 1.103 1.00 60.43 O ATOM 0 H1 SER A 1 0.510 1.368 -1.477 1.00 72.21 H new ATOM 0 H2 SER A 1 1.639 0.632 -2.509 1.00 72.21 H new ATOM 0 H3 SER A 1 0.627 -0.324 -1.537 1.00 72.21 H new ATOM 0 HA SER A 1 2.716 1.528 -0.607 1.00 21.12 H new ATOM 0 HB2 SER A 1 0.782 -0.297 0.882 1.00 10.44 H new ATOM 0 HB3 SER A 1 2.214 0.388 1.625 1.00 10.44 H new ATOM 0 HG SER A 1 0.330 1.694 1.981 1.00 60.43 H new ATOM 12 N ASN A 2 3.738 -0.693 -1.829 1.00 23.30 N ATOM 13 CA ASN A 2 4.693 -1.766 -2.087 1.00 5.33 C ATOM 14 C ASN A 2 5.518 -1.470 -3.336 1.00 74.30 C ATOM 15 O ASN A 2 5.001 -0.952 -4.324 1.00 40.12 O ATOM 16 CB ASN A 2 3.961 -3.099 -2.248 1.00 13.33 C ATOM 17 CG ASN A 2 4.886 -4.216 -2.695 1.00 3.04 C ATOM 18 OD1 ASN A 2 4.799 -4.693 -3.827 1.00 33.21 O ATOM 19 ND2 ASN A 2 5.779 -4.636 -1.807 1.00 61.32 N ATOM 0 H ASN A 2 3.586 -0.065 -2.618 1.00 23.30 H new ATOM 0 HA ASN A 2 5.369 -1.832 -1.234 1.00 5.33 H new ATOM 0 HB2 ASN A 2 3.497 -3.372 -1.300 1.00 13.33 H new ATOM 0 HB3 ASN A 2 3.157 -2.984 -2.975 1.00 13.33 H new ATOM 0 HD21 ASN A 2 6.429 -5.383 -2.052 1.00 61.32 H new ATOM 0 HD22 ASN A 2 5.815 -4.212 -0.880 1.00 61.32 H new ATOM 26 N GLU A 3 6.803 -1.805 -3.282 1.00 13.45 N ATOM 27 CA GLU A 3 7.700 -1.576 -4.409 1.00 73.43 C ATOM 28 C GLU A 3 8.008 -2.884 -5.133 1.00 44.23 C ATOM 29 O GLU A 3 7.593 -3.958 -4.701 1.00 60.13 O ATOM 30 CB GLU A 3 9.000 -0.925 -3.931 1.00 22.32 C ATOM 31 CG GLU A 3 8.853 0.547 -3.586 1.00 15.25 C ATOM 32 CD GLU A 3 9.894 1.021 -2.592 1.00 55.13 C ATOM 33 OE1 GLU A 3 10.114 0.317 -1.582 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 10.490 2.094 -2.822 1.00 20.33 O ATOM 0 H GLU A 3 7.246 -2.236 -2.471 1.00 13.45 H new ATOM 0 HA GLU A 3 7.202 -0.903 -5.107 1.00 73.43 H new ATOM 0 HB2 GLU A 3 9.363 -1.460 -3.054 1.00 22.32 H new ATOM 0 HB3 GLU A 3 9.758 -1.034 -4.707 1.00 22.32 H new ATOM 0 HG2 GLU A 3 8.931 1.139 -4.498 1.00 15.25 H new ATOM 0 HG3 GLU A 3 7.858 0.722 -3.176 1.00 15.25 H new ATOM 41 N CYS A 4 8.741 -2.782 -6.237 1.00 52.22 N ATOM 42 CA CYS A 4 9.105 -3.954 -7.024 1.00 21.31 C ATOM 43 C CYS A 4 10.613 -4.186 -6.987 1.00 74.32 C ATOM 44 O CYS A 4 11.363 -3.373 -6.447 1.00 44.11 O ATOM 45 CB CYS A 4 8.639 -3.788 -8.472 1.00 51.15 C ATOM 46 SG CYS A 4 9.458 -2.428 -9.365 1.00 11.12 S ATOM 0 H CYS A 4 9.094 -1.899 -6.607 1.00 52.22 H new ATOM 0 HA CYS A 4 8.610 -4.822 -6.588 1.00 21.31 H new ATOM 0 HB2 CYS A 4 8.817 -4.720 -9.009 1.00 51.15 H new ATOM 0 HB3 CYS A 4 7.563 -3.617 -8.479 1.00 51.15 H new ATOM 51 N ILE A 5 11.049 -5.300 -7.564 1.00 31.52 N ATOM 52 CA ILE A 5 12.466 -5.639 -7.599 1.00 72.10 C ATOM 53 C ILE A 5 13.197 -4.837 -8.670 1.00 53.01 C ATOM 54 O ILE A 5 12.773 -4.795 -9.825 1.00 4.05 O ATOM 55 CB ILE A 5 12.680 -7.142 -7.861 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.025 -7.973 -6.758 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.166 -7.455 -7.959 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.555 -9.334 -7.224 1.00 31.22 C ATOM 0 H ILE A 5 10.441 -5.984 -8.014 1.00 31.52 H new ATOM 0 HA ILE A 5 12.874 -5.389 -6.620 1.00 72.10 H new ATOM 0 HB ILE A 5 12.211 -7.402 -8.810 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.736 -8.103 -5.942 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.175 -7.422 -6.356 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.302 -8.521 -8.144 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.605 -6.885 -8.778 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.657 -7.184 -7.025 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.101 -9.868 -6.389 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.820 -9.212 -8.020 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.405 -9.904 -7.599 1.00 31.22 H new ATOM 70 N ARG A 6 14.299 -4.205 -8.280 1.00 34.14 N ATOM 71 CA ARG A 6 15.090 -3.404 -9.207 1.00 41.52 C ATOM 72 C ARG A 6 15.462 -4.216 -10.444 1.00 31.32 C ATOM 73 O ARG A 6 15.323 -5.439 -10.463 1.00 14.52 O ATOM 74 CB ARG A 6 16.355 -2.891 -8.519 1.00 30.43 C ATOM 75 CG ARG A 6 16.086 -1.854 -7.441 1.00 22.22 C ATOM 76 CD ARG A 6 15.951 -2.497 -6.070 1.00 30.33 C ATOM 77 NE ARG A 6 16.361 -1.593 -4.999 1.00 51.53 N ATOM 78 CZ ARG A 6 17.626 -1.260 -4.762 1.00 44.12 C ATOM 79 NH1 ARG A 6 18.597 -1.754 -5.517 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 17.920 -0.431 -3.769 1.00 11.21 N ATOM 0 H ARG A 6 14.665 -4.232 -7.328 1.00 34.14 H new ATOM 0 HA ARG A 6 14.486 -2.553 -9.521 1.00 41.52 H new ATOM 0 HB2 ARG A 6 16.884 -3.734 -8.076 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.016 -2.459 -9.270 1.00 30.43 H new ATOM 0 HG2 ARG A 6 16.897 -1.126 -7.424 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.173 -1.308 -7.679 1.00 22.22 H new ATOM 0 HD2 ARG A 6 14.916 -2.800 -5.912 1.00 30.33 H new ATOM 0 HD3 ARG A 6 16.557 -3.402 -6.033 1.00 30.33 H new ATOM 0 HE ARG A 6 15.637 -1.195 -4.400 1.00 51.53 H new ATOM 0 HH11 ARG A 6 18.374 -2.391 -6.282 1.00 51.33 H new ATOM 0 HH12 ARG A 6 19.567 -1.497 -5.333 1.00 51.33 H new ATOM 0 HH21 ARG A 6 17.175 -0.048 -3.187 1.00 11.21 H new ATOM 0 HH22 ARG A 6 18.891 -0.176 -3.588 1.00 11.21 H new ATOM 94 N LYS A 7 15.937 -3.527 -11.476 1.00 12.45 N ATOM 95 CA LYS A 7 16.333 -4.183 -12.717 1.00 74.33 C ATOM 96 C LYS A 7 17.748 -4.740 -12.612 1.00 3.13 C ATOM 97 O LYS A 7 18.610 -4.152 -11.958 1.00 45.21 O ATOM 98 CB LYS A 7 16.245 -3.200 -13.887 1.00 25.23 C ATOM 99 CG LYS A 7 16.460 -3.848 -15.244 1.00 71.33 C ATOM 100 CD LYS A 7 16.416 -2.823 -16.365 1.00 42.04 C ATOM 101 CE LYS A 7 17.513 -1.781 -16.211 1.00 22.14 C ATOM 102 NZ LYS A 7 18.086 -1.379 -17.525 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.057 -2.514 -11.478 1.00 12.45 H new ATOM 0 HA LYS A 7 15.649 -5.013 -12.894 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.267 -2.720 -13.874 1.00 25.23 H new ATOM 0 HB3 LYS A 7 16.988 -2.414 -13.747 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.422 -4.360 -15.255 1.00 71.33 H new ATOM 0 HG3 LYS A 7 15.694 -4.605 -15.412 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.524 -3.328 -17.325 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.443 -2.331 -16.371 1.00 42.04 H new ATOM 0 HE2 LYS A 7 17.111 -0.903 -15.706 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.305 -2.179 -15.576 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 18.830 -0.668 -17.376 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 18.493 -2.212 -17.996 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 17.336 -0.976 -18.122 1.00 43.20 H new ATOM 116 N TRP A 8 17.982 -5.876 -13.260 1.00 12.14 N ATOM 117 CA TRP A 8 19.294 -6.511 -13.241 1.00 60.14 C ATOM 118 C TRP A 8 19.758 -6.757 -11.809 1.00 43.13 C ATOM 119 O TRP A 8 20.865 -6.371 -11.429 1.00 71.13 O ATOM 120 CB TRP A 8 20.315 -5.643 -13.978 1.00 3.43 C ATOM 121 CG TRP A 8 20.215 -5.747 -15.470 1.00 52.22 C ATOM 122 CD1 TRP A 8 19.729 -4.802 -16.328 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.610 -6.860 -16.279 1.00 13.05 C ATOM 124 NE1 TRP A 8 19.798 -5.260 -17.621 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.336 -6.520 -17.618 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.171 -8.111 -16.004 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.603 -7.386 -18.675 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.435 -8.968 -17.054 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.151 -8.604 -18.377 1.00 64.05 C ATOM 0 H TRP A 8 17.280 -6.376 -13.805 1.00 12.14 H new ATOM 0 HA TRP A 8 19.212 -7.472 -13.748 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.177 -4.603 -13.683 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.319 -5.932 -13.667 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.346 -3.836 -16.033 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.498 -4.746 -18.449 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.394 -8.402 -14.988 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.385 -7.106 -19.695 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.868 -9.936 -16.852 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.369 -9.297 -19.176 1.00 64.05 H new ATOM 140 N LEU A 9 18.907 -7.402 -11.019 1.00 24.33 N ATOM 141 CA LEU A 9 19.230 -7.700 -9.628 1.00 13.42 C ATOM 142 C LEU A 9 19.079 -9.191 -9.341 1.00 32.14 C ATOM 143 O LEU A 9 20.059 -9.880 -9.058 1.00 32.51 O ATOM 144 CB LEU A 9 18.329 -6.895 -8.690 1.00 64.42 C ATOM 145 CG LEU A 9 18.857 -6.681 -7.271 1.00 13.01 C ATOM 146 CD1 LEU A 9 18.484 -5.295 -6.766 1.00 21.52 C ATOM 147 CD2 LEU A 9 18.321 -7.754 -6.335 1.00 2.10 C ATOM 0 H LEU A 9 17.988 -7.729 -11.318 1.00 24.33 H new ATOM 0 HA LEU A 9 20.269 -7.418 -9.454 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.150 -5.919 -9.140 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.364 -7.398 -8.625 1.00 64.42 H new ATOM 0 HG LEU A 9 19.944 -6.757 -7.293 1.00 13.01 H new ATOM 0 HD11 LEU A 9 18.868 -5.161 -5.755 1.00 21.52 H new ATOM 0 HD12 LEU A 9 18.917 -4.540 -7.422 1.00 21.52 H new ATOM 0 HD13 LEU A 9 17.399 -5.190 -6.759 1.00 21.52 H new ATOM 0 HD21 LEU A 9 18.707 -7.586 -5.330 1.00 2.10 H new ATOM 0 HD22 LEU A 9 17.232 -7.711 -6.317 1.00 2.10 H new ATOM 0 HD23 LEU A 9 18.639 -8.735 -6.686 1.00 2.10 H new ATOM 159 N SER A 10 17.847 -9.680 -9.419 1.00 45.25 N ATOM 160 CA SER A 10 17.567 -11.090 -9.166 1.00 64.14 C ATOM 161 C SER A 10 16.078 -11.383 -9.316 1.00 64.00 C ATOM 162 O SER A 10 15.240 -10.756 -8.665 1.00 53.42 O ATOM 163 CB SER A 10 18.037 -11.480 -7.764 1.00 54.12 C ATOM 164 OG SER A 10 17.618 -10.528 -6.801 1.00 65.41 O ATOM 0 H SER A 10 17.026 -9.122 -9.655 1.00 45.25 H new ATOM 0 HA SER A 10 18.111 -11.682 -9.902 1.00 64.14 H new ATOM 0 HB2 SER A 10 17.641 -12.462 -7.505 1.00 54.12 H new ATOM 0 HB3 SER A 10 19.124 -11.561 -7.751 1.00 54.12 H new ATOM 0 HG SER A 10 16.757 -10.145 -7.072 1.00 65.41 H new ATOM 170 N CYS A 11 15.754 -12.341 -10.178 1.00 71.34 N ATOM 171 CA CYS A 11 14.367 -12.719 -10.416 1.00 40.34 C ATOM 172 C CYS A 11 14.007 -13.983 -9.641 1.00 4.42 C ATOM 173 O CYS A 11 12.842 -14.375 -9.579 1.00 25.34 O ATOM 174 CB CYS A 11 14.125 -12.939 -11.911 1.00 32.52 C ATOM 175 SG CYS A 11 14.881 -14.459 -12.571 1.00 22.00 S ATOM 0 H CYS A 11 16.434 -12.870 -10.724 1.00 71.34 H new ATOM 0 HA CYS A 11 13.731 -11.906 -10.067 1.00 40.34 H new ATOM 0 HB2 CYS A 11 13.051 -12.972 -12.093 1.00 32.52 H new ATOM 0 HB3 CYS A 11 14.516 -12.083 -12.461 1.00 32.52 H new ATOM 180 N VAL A 12 15.016 -14.616 -9.052 1.00 1.33 N ATOM 181 CA VAL A 12 14.807 -15.835 -8.279 1.00 2.34 C ATOM 182 C VAL A 12 13.681 -15.657 -7.266 1.00 65.54 C ATOM 183 O VAL A 12 12.956 -16.602 -6.956 1.00 52.14 O ATOM 184 CB VAL A 12 16.088 -16.256 -7.536 1.00 70.43 C ATOM 185 CG1 VAL A 12 15.885 -17.587 -6.831 1.00 73.24 C ATOM 186 CG2 VAL A 12 17.264 -16.327 -8.500 1.00 54.01 C ATOM 0 H VAL A 12 15.987 -14.305 -9.095 1.00 1.33 H new ATOM 0 HA VAL A 12 14.534 -16.616 -8.989 1.00 2.34 H new ATOM 0 HB VAL A 12 16.312 -15.503 -6.780 1.00 70.43 H new ATOM 0 HG11 VAL A 12 16.802 -17.867 -6.312 1.00 73.24 H new ATOM 0 HG12 VAL A 12 15.073 -17.497 -6.110 1.00 73.24 H new ATOM 0 HG13 VAL A 12 15.635 -18.353 -7.565 1.00 73.24 H new ATOM 0 HG21 VAL A 12 18.161 -16.626 -7.958 1.00 54.01 H new ATOM 0 HG22 VAL A 12 17.051 -17.058 -9.280 1.00 54.01 H new ATOM 0 HG23 VAL A 12 17.423 -15.348 -8.953 1.00 54.01 H new ATOM 196 N ASP A 13 13.540 -14.439 -6.754 1.00 50.12 N ATOM 197 CA ASP A 13 12.501 -14.136 -5.777 1.00 21.44 C ATOM 198 C ASP A 13 11.131 -14.069 -6.444 1.00 13.52 C ATOM 199 O ASP A 13 10.173 -14.690 -5.983 1.00 20.24 O ATOM 200 CB ASP A 13 12.805 -12.813 -5.071 1.00 4.14 C ATOM 201 CG ASP A 13 14.032 -12.899 -4.184 1.00 12.14 C ATOM 202 OD1 ASP A 13 14.772 -13.899 -4.290 1.00 63.11 O ATOM 203 OD2 ASP A 13 14.250 -11.966 -3.385 1.00 51.22 O1- ATOM 0 H ASP A 13 14.132 -13.646 -6.999 1.00 50.12 H new ATOM 0 HA ASP A 13 12.486 -14.937 -5.038 1.00 21.44 H new ATOM 0 HB2 ASP A 13 12.953 -12.032 -5.817 1.00 4.14 H new ATOM 0 HB3 ASP A 13 11.945 -12.520 -4.469 1.00 4.14 H new ATOM 208 N ARG A 14 11.045 -13.308 -7.530 1.00 34.15 N ATOM 209 CA ARG A 14 9.791 -13.157 -8.260 1.00 11.34 C ATOM 210 C ARG A 14 10.046 -13.025 -9.758 1.00 1.34 C ATOM 211 O ARG A 14 10.575 -12.015 -10.223 1.00 5.14 O ATOM 212 CB ARG A 14 9.026 -11.934 -7.752 1.00 44.02 C ATOM 213 CG ARG A 14 8.184 -12.211 -6.517 1.00 11.43 C ATOM 214 CD ARG A 14 8.406 -11.158 -5.443 1.00 33.34 C ATOM 215 NE ARG A 14 9.320 -11.621 -4.404 1.00 31.23 N ATOM 216 CZ ARG A 14 8.979 -12.489 -3.458 1.00 33.30 C ATOM 217 NH1 ARG A 14 7.749 -12.985 -3.420 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 9.867 -12.862 -2.545 1.00 13.11 N ATOM 0 H ARG A 14 11.828 -12.786 -7.924 1.00 34.15 H new ATOM 0 HA ARG A 14 9.190 -14.050 -8.089 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.737 -11.140 -7.526 1.00 44.02 H new ATOM 0 HB3 ARG A 14 8.378 -11.565 -8.547 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.130 -12.235 -6.792 1.00 11.43 H new ATOM 0 HG3 ARG A 14 8.432 -13.195 -6.120 1.00 11.43 H new ATOM 0 HD2 ARG A 14 8.805 -10.253 -5.900 1.00 33.34 H new ATOM 0 HD3 ARG A 14 7.450 -10.892 -4.993 1.00 33.34 H new ATOM 0 HE ARG A 14 10.273 -11.258 -4.404 1.00 31.23 H new ATOM 0 HH11 ARG A 14 7.062 -12.700 -4.118 1.00 64.12 H new ATOM 0 HH12 ARG A 14 7.490 -13.651 -2.692 1.00 64.12 H new ATOM 0 HH21 ARG A 14 10.813 -12.482 -2.569 1.00 13.11 H new ATOM 0 HH22 ARG A 14 9.603 -13.529 -1.819 1.00 13.11 H new ATOM 232 N LYS A 15 9.667 -14.053 -10.510 1.00 52.10 N ATOM 233 CA LYS A 15 9.854 -14.054 -11.957 1.00 21.15 C ATOM 234 C LYS A 15 8.719 -13.307 -12.651 1.00 23.41 C ATOM 235 O LYS A 15 8.793 -13.020 -13.846 1.00 3.31 O ATOM 236 CB LYS A 15 9.930 -15.489 -12.481 1.00 22.05 C ATOM 237 CG LYS A 15 11.199 -16.218 -12.075 1.00 60.24 C ATOM 238 CD LYS A 15 11.011 -16.985 -10.777 1.00 23.34 C ATOM 239 CE LYS A 15 10.239 -18.277 -11.000 1.00 43.34 C ATOM 240 NZ LYS A 15 9.717 -18.838 -9.724 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.228 -14.897 -10.141 1.00 52.10 H new ATOM 0 HA LYS A 15 10.791 -13.544 -12.178 1.00 21.15 H new ATOM 0 HB2 LYS A 15 9.068 -16.047 -12.115 1.00 22.05 H new ATOM 0 HB3 LYS A 15 9.862 -15.474 -13.569 1.00 22.05 H new ATOM 0 HG2 LYS A 15 11.493 -16.907 -12.867 1.00 60.24 H new ATOM 0 HG3 LYS A 15 12.011 -15.500 -11.960 1.00 60.24 H new ATOM 0 HD2 LYS A 15 11.985 -17.212 -10.343 1.00 23.34 H new ATOM 0 HD3 LYS A 15 10.479 -16.361 -10.058 1.00 23.34 H new ATOM 0 HE2 LYS A 15 9.409 -18.091 -11.681 1.00 43.34 H new ATOM 0 HE3 LYS A 15 10.888 -19.009 -11.480 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 9.197 -19.718 -9.918 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 10.511 -19.039 -9.083 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 9.078 -18.150 -9.278 1.00 34.55 H new ATOM 254 N ASN A 16 7.673 -12.993 -11.895 1.00 74.22 N ATOM 255 CA ASN A 16 6.524 -12.279 -12.438 1.00 2.32 C ATOM 256 C ASN A 16 6.391 -10.899 -11.803 1.00 61.22 C ATOM 257 O ASN A 16 5.931 -9.951 -12.441 1.00 13.45 O ATOM 258 CB ASN A 16 5.242 -13.083 -12.211 1.00 35.24 C ATOM 259 CG ASN A 16 3.996 -12.301 -12.575 1.00 64.51 C ATOM 260 OD1 ASN A 16 3.562 -12.303 -13.727 1.00 50.32 O ATOM 261 ND2 ASN A 16 3.413 -11.625 -11.592 1.00 31.22 N ATOM 0 H ASN A 16 7.597 -13.222 -10.904 1.00 74.22 H new ATOM 0 HA ASN A 16 6.680 -12.153 -13.509 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.280 -13.997 -12.804 1.00 35.24 H new ATOM 0 HB3 ASN A 16 5.186 -13.384 -11.165 1.00 35.24 H new ATOM 0 HD21 ASN A 16 2.571 -11.079 -11.777 1.00 31.22 H new ATOM 0 HD22 ASN A 16 3.807 -11.651 -10.651 1.00 31.22 H new ATOM 268 N ASP A 17 6.796 -10.793 -10.542 1.00 63.14 N ATOM 269 CA ASP A 17 6.724 -9.528 -9.819 1.00 4.05 C ATOM 270 C ASP A 17 8.062 -8.797 -9.871 1.00 14.43 C ATOM 271 O ASP A 17 8.363 -7.971 -9.008 1.00 10.22 O ATOM 272 CB ASP A 17 6.316 -9.770 -8.365 1.00 62.44 C ATOM 273 CG ASP A 17 4.821 -9.636 -8.154 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.055 -10.117 -9.016 1.00 64.23 O ATOM 275 OD2 ASP A 17 4.416 -9.051 -7.128 1.00 23.40 O1- ATOM 0 H ASP A 17 7.178 -11.568 -9.999 1.00 63.14 H new ATOM 0 HA ASP A 17 5.971 -8.904 -10.300 1.00 4.05 H new ATOM 0 HB2 ASP A 17 6.635 -10.767 -8.062 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.836 -9.060 -7.722 1.00 62.44 H new ATOM 280 N CYS A 18 8.860 -9.105 -10.886 1.00 22.14 N ATOM 281 CA CYS A 18 10.167 -8.478 -11.050 1.00 12.03 C ATOM 282 C CYS A 18 10.054 -6.959 -10.985 1.00 12.24 C ATOM 283 O CYS A 18 10.585 -6.323 -10.073 1.00 15.22 O ATOM 284 CB CYS A 18 10.794 -8.899 -12.381 1.00 65.22 C ATOM 285 SG CYS A 18 12.073 -10.187 -12.227 1.00 64.10 S ATOM 0 H CYS A 18 8.625 -9.785 -11.609 1.00 22.14 H new ATOM 0 HA CYS A 18 10.807 -8.811 -10.233 1.00 12.03 H new ATOM 0 HB2 CYS A 18 10.007 -9.261 -13.043 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.232 -8.022 -12.857 1.00 65.22 H new ATOM 290 N CYS A 19 9.356 -6.381 -11.959 1.00 52.34 N ATOM 291 CA CYS A 19 9.173 -4.936 -12.014 1.00 50.21 C ATOM 292 C CYS A 19 8.321 -4.542 -13.217 1.00 44.05 C ATOM 293 O CYS A 19 7.756 -5.398 -13.897 1.00 61.25 O ATOM 294 CB CYS A 19 10.528 -4.230 -12.080 1.00 45.44 C ATOM 295 SG CYS A 19 10.671 -2.789 -10.976 1.00 3.21 S ATOM 0 H CYS A 19 8.909 -6.892 -12.720 1.00 52.34 H new ATOM 0 HA CYS A 19 8.655 -4.626 -11.107 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.311 -4.946 -11.829 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.708 -3.908 -13.106 1.00 45.44 H new ATOM 300 N GLU A 20 8.237 -3.241 -13.474 1.00 0.41 N ATOM 301 CA GLU A 20 7.454 -2.734 -14.596 1.00 21.12 C ATOM 302 C GLU A 20 8.285 -2.718 -15.876 1.00 12.24 C ATOM 303 O GLU A 20 9.246 -1.959 -15.997 1.00 33.41 O ATOM 304 CB GLU A 20 6.940 -1.325 -14.292 1.00 34.22 C ATOM 305 CG GLU A 20 5.889 -0.836 -15.274 1.00 61.45 C ATOM 306 CD GLU A 20 4.479 -0.964 -14.732 1.00 22.34 C ATOM 307 OE1 GLU A 20 4.025 -0.036 -14.032 1.00 2.13 O1- ATOM 308 OE2 GLU A 20 3.829 -1.993 -15.010 1.00 41.52 O ATOM 0 H GLU A 20 8.700 -2.519 -12.922 1.00 0.41 H new ATOM 0 HA GLU A 20 6.604 -3.400 -14.743 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.520 -1.310 -13.286 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.781 -0.631 -14.297 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.086 0.207 -15.521 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.971 -1.404 -16.201 1.00 61.45 H new ATOM 315 N GLY A 21 7.907 -3.565 -16.830 1.00 40.44 N ATOM 316 CA GLY A 21 8.628 -3.633 -18.087 1.00 52.55 C ATOM 317 C GLY A 21 9.888 -4.471 -17.989 1.00 53.30 C ATOM 318 O GLY A 21 10.884 -4.188 -18.657 1.00 0.22 O ATOM 0 H GLY A 21 7.116 -4.204 -16.754 1.00 40.44 H new ATOM 0 HA2 GLY A 21 7.976 -4.051 -18.854 1.00 52.55 H new ATOM 0 HA3 GLY A 21 8.890 -2.624 -18.407 1.00 52.55 H new ATOM 322 N LEU A 22 9.847 -5.503 -17.153 1.00 13.10 N ATOM 323 CA LEU A 22 10.996 -6.382 -16.968 1.00 41.51 C ATOM 324 C LEU A 22 10.584 -7.847 -17.092 1.00 64.04 C ATOM 325 O LEU A 22 9.416 -8.190 -16.919 1.00 31.15 O ATOM 326 CB LEU A 22 11.638 -6.136 -15.602 1.00 20.40 C ATOM 327 CG LEU A 22 12.325 -4.782 -15.419 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.994 -4.703 -14.055 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.339 -4.543 -16.528 1.00 73.44 C ATOM 0 H LEU A 22 9.031 -5.751 -16.593 1.00 13.10 H new ATOM 0 HA LEU A 22 11.723 -6.159 -17.749 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.868 -6.237 -14.837 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.372 -6.921 -15.421 1.00 20.40 H new ATOM 0 HG LEU A 22 11.567 -4.001 -15.475 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.478 -3.733 -13.943 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.244 -4.827 -13.274 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.741 -5.493 -13.970 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.818 -3.575 -16.381 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.095 -5.328 -16.506 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.832 -4.554 -17.493 1.00 73.44 H new ATOM 341 N GLU A 23 11.555 -8.705 -17.390 1.00 73.11 N ATOM 342 CA GLU A 23 11.293 -10.132 -17.535 1.00 72.50 C ATOM 343 C GLU A 23 12.505 -10.953 -17.104 1.00 73.15 C ATOM 344 O GLU A 23 13.644 -10.493 -17.188 1.00 53.25 O ATOM 345 CB GLU A 23 10.929 -10.462 -18.984 1.00 42.13 C ATOM 346 CG GLU A 23 9.459 -10.255 -19.305 1.00 54.44 C ATOM 347 CD GLU A 23 8.764 -11.540 -19.712 1.00 41.24 C ATOM 348 OE1 GLU A 23 9.018 -12.022 -20.836 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 7.967 -12.064 -18.907 1.00 62.21 O ATOM 0 H GLU A 23 12.528 -8.437 -17.535 1.00 73.11 H new ATOM 0 HA GLU A 23 10.453 -10.389 -16.890 1.00 72.50 H new ATOM 0 HB2 GLU A 23 11.528 -9.842 -19.650 1.00 42.13 H new ATOM 0 HB3 GLU A 23 11.194 -11.499 -19.189 1.00 42.13 H new ATOM 0 HG2 GLU A 23 8.956 -9.835 -18.434 1.00 54.44 H new ATOM 0 HG3 GLU A 23 9.366 -9.525 -20.109 1.00 54.44 H new ATOM 356 N CYS A 24 12.251 -12.174 -16.641 1.00 3.15 N ATOM 357 CA CYS A 24 13.318 -13.060 -16.196 1.00 43.32 C ATOM 358 C CYS A 24 14.071 -13.648 -17.386 1.00 13.33 C ATOM 359 O CYS A 24 13.467 -14.219 -18.294 1.00 71.04 O ATOM 360 CB CYS A 24 12.746 -14.187 -15.333 1.00 63.05 C ATOM 361 SG CYS A 24 13.966 -14.972 -14.231 1.00 51.21 S ATOM 0 H CYS A 24 11.314 -12.571 -16.565 1.00 3.15 H new ATOM 0 HA CYS A 24 14.018 -12.474 -15.601 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.930 -13.790 -14.730 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.319 -14.948 -15.985 1.00 63.05 H new ATOM 366 N TYR A 25 15.390 -13.503 -17.374 1.00 42.15 N ATOM 367 CA TYR A 25 16.226 -14.017 -18.453 1.00 43.13 C ATOM 368 C TYR A 25 16.766 -15.401 -18.111 1.00 24.34 C ATOM 369 O TYR A 25 16.903 -15.757 -16.940 1.00 2.23 O ATOM 370 CB TYR A 25 17.385 -13.058 -18.730 1.00 24.23 C ATOM 371 CG TYR A 25 18.250 -13.475 -19.899 1.00 72.44 C ATOM 372 CD1 TYR A 25 17.805 -13.323 -21.206 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.512 -14.019 -19.695 1.00 73.43 C ATOM 374 CE1 TYR A 25 18.591 -13.703 -22.276 1.00 40.22 C ATOM 375 CE2 TYR A 25 20.306 -14.400 -20.759 1.00 20.10 C ATOM 376 CZ TYR A 25 19.841 -14.241 -22.048 1.00 72.10 C ATOM 377 OH TYR A 25 20.627 -14.619 -23.112 1.00 42.01 O ATOM 0 H TYR A 25 15.905 -13.034 -16.629 1.00 42.15 H new ATOM 0 HA TYR A 25 15.610 -14.099 -19.348 1.00 43.13 H new ATOM 0 HB2 TYR A 25 16.984 -12.063 -18.922 1.00 24.23 H new ATOM 0 HB3 TYR A 25 18.006 -12.984 -17.837 1.00 24.23 H new ATOM 0 HD1 TYR A 25 16.828 -12.901 -21.388 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.878 -14.146 -18.687 1.00 73.43 H new ATOM 0 HE1 TYR A 25 18.229 -13.580 -23.286 1.00 40.22 H new ATOM 0 HE2 TYR A 25 21.285 -14.820 -20.583 1.00 20.10 H new ATOM 0 HH TYR A 25 21.477 -14.978 -22.780 1.00 42.01 H new ATOM 387 N LYS A 26 17.073 -16.181 -19.143 1.00 24.35 N ATOM 388 CA LYS A 26 17.601 -17.526 -18.955 1.00 34.53 C ATOM 389 C LYS A 26 19.111 -17.494 -18.740 1.00 64.11 C ATOM 390 O LYS A 26 19.874 -17.227 -19.670 1.00 12.35 O ATOM 391 CB LYS A 26 17.267 -18.401 -20.165 1.00 44.31 C ATOM 392 CG LYS A 26 15.808 -18.330 -20.583 1.00 35.50 C ATOM 393 CD LYS A 26 15.465 -19.408 -21.598 1.00 15.23 C ATOM 394 CE LYS A 26 13.995 -19.360 -21.986 1.00 24.30 C ATOM 395 NZ LYS A 26 13.731 -18.338 -23.035 1.00 45.14 N1+ ATOM 0 H LYS A 26 16.965 -15.903 -20.119 1.00 24.35 H new ATOM 0 HA LYS A 26 17.134 -17.951 -18.066 1.00 34.53 H new ATOM 0 HB2 LYS A 26 17.892 -18.098 -21.005 1.00 44.31 H new ATOM 0 HB3 LYS A 26 17.521 -19.436 -19.935 1.00 44.31 H new ATOM 0 HG2 LYS A 26 15.171 -18.440 -19.705 1.00 35.50 H new ATOM 0 HG3 LYS A 26 15.598 -17.349 -21.008 1.00 35.50 H new ATOM 0 HD2 LYS A 26 16.082 -19.281 -22.488 1.00 15.23 H new ATOM 0 HD3 LYS A 26 15.701 -20.388 -21.184 1.00 15.23 H new ATOM 0 HE2 LYS A 26 13.683 -20.340 -22.347 1.00 24.30 H new ATOM 0 HE3 LYS A 26 13.394 -19.139 -21.104 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 12.718 -18.337 -23.271 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 14.005 -17.399 -22.682 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 14.285 -18.563 -23.886 1.00 45.14 H new ATOM 409 N ARG A 27 19.536 -17.768 -17.511 1.00 13.42 N ATOM 410 CA ARG A 27 20.955 -17.770 -17.176 1.00 2.22 C ATOM 411 C ARG A 27 21.301 -18.960 -16.285 1.00 13.11 C ATOM 412 O ARG A 27 20.769 -19.100 -15.185 1.00 42.10 O ATOM 413 CB ARG A 27 21.335 -16.466 -16.472 1.00 75.21 C ATOM 414 CG ARG A 27 22.824 -16.162 -16.518 1.00 55.10 C ATOM 415 CD ARG A 27 23.311 -15.975 -17.947 1.00 52.24 C ATOM 416 NE ARG A 27 24.344 -14.946 -18.043 1.00 31.33 N ATOM 417 CZ ARG A 27 24.876 -14.546 -19.192 1.00 45.33 C ATOM 418 NH1 ARG A 27 24.476 -15.084 -20.335 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 25.811 -13.604 -19.198 1.00 63.22 N ATOM 0 H ARG A 27 18.918 -17.991 -16.731 1.00 13.42 H new ATOM 0 HA ARG A 27 21.522 -17.854 -18.103 1.00 2.22 H new ATOM 0 HB2 ARG A 27 20.790 -15.642 -16.932 1.00 75.21 H new ATOM 0 HB3 ARG A 27 21.015 -16.518 -15.431 1.00 75.21 H new ATOM 0 HG2 ARG A 27 23.030 -15.260 -15.941 1.00 55.10 H new ATOM 0 HG3 ARG A 27 23.377 -16.975 -16.047 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.704 -16.920 -18.323 1.00 52.24 H new ATOM 0 HD3 ARG A 27 22.469 -15.704 -18.584 1.00 52.24 H new ATOM 0 HE ARG A 27 24.674 -14.512 -17.181 1.00 31.33 H new ATOM 0 HH11 ARG A 27 23.757 -15.808 -20.334 1.00 21.44 H new ATOM 0 HH12 ARG A 27 24.887 -14.774 -21.216 1.00 21.44 H new ATOM 0 HH21 ARG A 27 26.121 -13.187 -18.320 1.00 63.22 H new ATOM 0 HH22 ARG A 27 26.220 -13.297 -20.081 1.00 63.22 H new ATOM 433 N ARG A 28 22.195 -19.815 -16.771 1.00 43.11 N ATOM 434 CA ARG A 28 22.611 -20.993 -16.022 1.00 2.52 C ATOM 435 C ARG A 28 23.978 -20.774 -15.379 1.00 22.11 C ATOM 436 O ARG A 28 24.170 -21.048 -14.194 1.00 62.24 O ATOM 437 CB ARG A 28 22.657 -22.217 -16.937 1.00 42.41 C ATOM 438 CG ARG A 28 22.294 -23.517 -16.236 1.00 2.52 C ATOM 439 CD ARG A 28 21.501 -24.440 -17.150 1.00 0.40 C ATOM 440 NE ARG A 28 20.062 -24.318 -16.936 1.00 0.25 N ATOM 441 CZ ARG A 28 19.152 -24.887 -17.716 1.00 3.54 C ATOM 442 NH1 ARG A 28 19.529 -25.616 -18.758 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 17.860 -24.731 -17.456 1.00 73.13 N ATOM 0 H ARG A 28 22.645 -19.713 -17.681 1.00 43.11 H new ATOM 0 HA ARG A 28 21.880 -21.166 -15.232 1.00 2.52 H new ATOM 0 HB2 ARG A 28 21.974 -22.062 -17.772 1.00 42.41 H new ATOM 0 HB3 ARG A 28 23.659 -22.308 -17.357 1.00 42.41 H new ATOM 0 HG2 ARG A 28 23.203 -24.021 -15.908 1.00 2.52 H new ATOM 0 HG3 ARG A 28 21.710 -23.299 -15.342 1.00 2.52 H new ATOM 0 HD2 ARG A 28 21.734 -24.208 -18.189 1.00 0.40 H new ATOM 0 HD3 ARG A 28 21.807 -25.472 -16.977 1.00 0.40 H new ATOM 0 HE ARG A 28 19.738 -23.765 -16.143 1.00 0.25 H new ATOM 0 HH11 ARG A 28 20.521 -25.740 -18.961 1.00 52.00 H new ATOM 0 HH12 ARG A 28 18.827 -26.052 -19.356 1.00 52.00 H new ATOM 0 HH21 ARG A 28 17.565 -24.173 -16.655 1.00 73.13 H new ATOM 0 HH22 ARG A 28 17.162 -25.169 -18.057 1.00 73.13 H new ATOM 457 N HIS A 29 24.926 -20.281 -16.170 1.00 34.43 N ATOM 458 CA HIS A 29 26.275 -20.026 -15.679 1.00 5.34 C ATOM 459 C HIS A 29 26.253 -19.037 -14.517 1.00 60.13 C ATOM 460 O HIS A 29 27.155 -19.027 -13.679 1.00 45.11 O ATOM 461 CB HIS A 29 27.157 -19.486 -16.805 1.00 0.11 C ATOM 462 CG HIS A 29 27.517 -20.517 -17.829 1.00 24.13 C ATOM 463 ND1 HIS A 29 26.979 -20.537 -19.099 1.00 73.30 N ATOM 464 CD2 HIS A 29 28.369 -21.567 -17.768 1.00 14.44 C ATOM 465 CE1 HIS A 29 27.483 -21.556 -19.773 1.00 50.01 C ATOM 466 NE2 HIS A 29 28.329 -22.197 -18.987 1.00 1.05 N ATOM 0 H HIS A 29 24.785 -20.050 -17.153 1.00 34.43 H new ATOM 0 HA HIS A 29 26.689 -20.969 -15.323 1.00 5.34 H new ATOM 0 HB2 HIS A 29 26.640 -18.662 -17.297 1.00 0.11 H new ATOM 0 HB3 HIS A 29 28.072 -19.078 -16.375 1.00 0.11 H new ATOM 0 HD2 HIS A 29 28.969 -21.856 -16.918 1.00 14.44 H new ATOM 0 HE1 HIS A 29 27.244 -21.820 -20.793 1.00 50.01 H new ATOM 0 HE2 HIS A 29 28.865 -23.026 -19.244 1.00 1.05 H new ATOM 474 N SER A 30 25.216 -18.206 -14.474 1.00 51.21 N ATOM 475 CA SER A 30 25.078 -17.209 -13.418 1.00 2.20 C ATOM 476 C SER A 30 23.613 -17.028 -13.030 1.00 21.10 C ATOM 477 O SER A 30 22.713 -17.258 -13.837 1.00 1.23 O ATOM 478 CB SER A 30 25.668 -15.872 -13.867 1.00 61.21 C ATOM 479 OG SER A 30 25.363 -14.842 -12.944 1.00 2.24 O ATOM 0 H SER A 30 24.459 -18.203 -15.158 1.00 51.21 H new ATOM 0 HA SER A 30 25.626 -17.563 -12.545 1.00 2.20 H new ATOM 0 HB2 SER A 30 26.749 -15.964 -13.969 1.00 61.21 H new ATOM 0 HB3 SER A 30 25.277 -15.611 -14.850 1.00 61.21 H new ATOM 0 HG SER A 30 25.754 -13.998 -13.254 1.00 2.24 H new ATOM 485 N PHE A 31 23.384 -16.614 -11.788 1.00 74.44 N ATOM 486 CA PHE A 31 22.029 -16.401 -11.291 1.00 15.34 C ATOM 487 C PHE A 31 21.242 -15.493 -12.232 1.00 41.21 C ATOM 488 O PHE A 31 21.661 -14.373 -12.523 1.00 41.32 O ATOM 489 CB PHE A 31 22.067 -15.793 -9.889 1.00 25.20 C ATOM 490 CG PHE A 31 22.725 -14.444 -9.837 1.00 42.32 C ATOM 491 CD1 PHE A 31 24.104 -14.334 -9.773 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.964 -13.286 -9.854 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.712 -13.094 -9.725 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.567 -12.043 -9.807 1.00 32.13 C ATOM 495 CZ PHE A 31 23.943 -11.947 -9.744 1.00 42.13 C ATOM 0 H PHE A 31 24.118 -16.419 -11.107 1.00 74.44 H new ATOM 0 HA PHE A 31 21.529 -17.368 -11.245 1.00 15.34 H new ATOM 0 HB2 PHE A 31 21.048 -15.706 -9.512 1.00 25.20 H new ATOM 0 HB3 PHE A 31 22.597 -16.473 -9.221 1.00 25.20 H new ATOM 0 HD1 PHE A 31 24.711 -15.227 -9.760 1.00 55.24 H new ATOM 0 HD2 PHE A 31 20.887 -13.355 -9.905 1.00 32.25 H new ATOM 0 HE1 PHE A 31 25.788 -13.022 -9.673 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.963 -11.148 -9.820 1.00 32.13 H new ATOM 0 HZ PHE A 31 24.417 -10.977 -9.710 1.00 42.13 H new ATOM 505 N GLU A 32 20.098 -15.984 -12.701 1.00 14.44 N ATOM 506 CA GLU A 32 19.254 -15.217 -13.608 1.00 22.14 C ATOM 507 C GLU A 32 18.636 -14.018 -12.893 1.00 51.44 C ATOM 508 O GLU A 32 18.330 -14.080 -11.702 1.00 63.24 O ATOM 509 CB GLU A 32 18.149 -16.104 -14.185 1.00 52.23 C ATOM 510 CG GLU A 32 17.376 -16.877 -13.131 1.00 22.11 C ATOM 511 CD GLU A 32 16.147 -17.565 -13.695 1.00 4.05 C ATOM 512 OE1 GLU A 32 16.013 -17.613 -14.935 1.00 42.42 O ATOM 513 OE2 GLU A 32 15.322 -18.053 -12.896 1.00 23.41 O1- ATOM 0 H GLU A 32 19.736 -16.908 -12.467 1.00 14.44 H new ATOM 0 HA GLU A 32 19.879 -14.851 -14.422 1.00 22.14 H new ATOM 0 HB2 GLU A 32 17.454 -15.483 -14.750 1.00 52.23 H new ATOM 0 HB3 GLU A 32 18.591 -16.809 -14.889 1.00 52.23 H new ATOM 0 HG2 GLU A 32 18.031 -17.623 -12.680 1.00 22.11 H new ATOM 0 HG3 GLU A 32 17.073 -16.196 -12.336 1.00 22.11 H new ATOM 520 N VAL A 33 18.456 -12.926 -13.630 1.00 62.34 N ATOM 521 CA VAL A 33 17.875 -11.712 -13.068 1.00 22.01 C ATOM 522 C VAL A 33 16.912 -11.057 -14.052 1.00 53.22 C ATOM 523 O VAL A 33 16.780 -11.498 -15.194 1.00 65.03 O ATOM 524 CB VAL A 33 18.966 -10.696 -12.679 1.00 32.31 C ATOM 525 CG1 VAL A 33 20.026 -11.355 -11.812 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.588 -10.081 -13.924 1.00 64.44 C ATOM 0 H VAL A 33 18.704 -12.857 -14.617 1.00 62.34 H new ATOM 0 HA VAL A 33 17.329 -12.007 -12.172 1.00 22.01 H new ATOM 0 HB VAL A 33 18.504 -9.897 -12.099 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.788 -10.621 -11.548 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.564 -11.742 -10.904 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.488 -12.175 -12.362 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.357 -9.366 -13.631 1.00 64.44 H new ATOM 0 HG22 VAL A 33 20.036 -10.866 -14.533 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.817 -9.570 -14.501 1.00 64.44 H new ATOM 536 N CYS A 34 16.242 -10.001 -13.602 1.00 44.23 N ATOM 537 CA CYS A 34 15.290 -9.284 -14.442 1.00 2.34 C ATOM 538 C CYS A 34 16.008 -8.541 -15.564 1.00 74.42 C ATOM 539 O CYS A 34 17.144 -8.095 -15.401 1.00 63.45 O ATOM 540 CB CYS A 34 14.477 -8.299 -13.600 1.00 12.11 C ATOM 541 SG CYS A 34 13.757 -9.026 -12.093 1.00 33.54 S ATOM 0 H CYS A 34 16.341 -9.623 -12.660 1.00 44.23 H new ATOM 0 HA CYS A 34 14.614 -10.014 -14.888 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.118 -7.464 -13.317 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.674 -7.891 -14.213 1.00 12.11 H new ATOM 546 N VAL A 35 15.338 -8.411 -16.704 1.00 52.22 N ATOM 547 CA VAL A 35 15.910 -7.719 -17.854 1.00 73.22 C ATOM 548 C VAL A 35 14.876 -6.824 -18.527 1.00 34.14 C ATOM 549 O VAL A 35 13.673 -7.076 -18.476 1.00 74.20 O ATOM 550 CB VAL A 35 16.462 -8.717 -18.889 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.632 -9.497 -18.309 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.364 -9.658 -19.361 1.00 13.23 C ATOM 0 H VAL A 35 14.398 -8.776 -16.857 1.00 52.22 H new ATOM 0 HA VAL A 35 16.728 -7.104 -17.480 1.00 73.22 H new ATOM 0 HB VAL A 35 16.823 -8.156 -19.751 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.008 -10.197 -19.055 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.426 -8.806 -18.027 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.301 -10.048 -17.429 1.00 55.34 H new ATOM 0 HG21 VAL A 35 15.772 -10.356 -20.092 1.00 13.23 H new ATOM 0 HG22 VAL A 35 14.970 -10.213 -18.510 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.562 -9.080 -19.820 1.00 13.23 H new ATOM 562 N PRO A 36 15.355 -5.752 -19.175 1.00 14.42 N ATOM 563 CA PRO A 36 14.489 -4.797 -19.873 1.00 15.12 C ATOM 564 C PRO A 36 13.859 -5.395 -21.125 1.00 33.54 C ATOM 565 O PRO A 36 14.558 -5.900 -22.004 1.00 61.25 O ATOM 566 CB PRO A 36 15.444 -3.659 -20.245 1.00 24.35 C ATOM 567 CG PRO A 36 16.787 -4.299 -20.312 1.00 33.43 C ATOM 568 CD PRO A 36 16.779 -5.390 -19.277 1.00 44.32 C ATOM 0 HA PRO A 36 13.648 -4.481 -19.255 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.171 -3.210 -21.200 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.421 -2.863 -19.500 1.00 24.35 H new ATOM 0 HG2 PRO A 36 16.976 -4.705 -21.306 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.575 -3.574 -20.109 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.389 -6.240 -19.584 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.175 -5.042 -18.323 1.00 44.32 H new ATOM 576 N ILE A 37 12.534 -5.332 -21.202 1.00 43.04 N ATOM 577 CA ILE A 37 11.810 -5.865 -22.349 1.00 30.13 C ATOM 578 C ILE A 37 11.900 -4.923 -23.544 1.00 62.14 C ATOM 579 O ILE A 37 11.681 -3.716 -23.433 1.00 13.55 O ATOM 580 CB ILE A 37 10.326 -6.111 -22.015 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.199 -7.112 -20.865 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.581 -6.609 -23.243 1.00 52.54 C ATOM 583 CD1 ILE A 37 8.982 -6.883 -19.996 1.00 30.21 C ATOM 0 H ILE A 37 11.940 -4.917 -20.484 1.00 43.04 H new ATOM 0 HA ILE A 37 12.280 -6.815 -22.603 1.00 30.13 H new ATOM 0 HB ILE A 37 9.879 -5.168 -21.702 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.158 -8.121 -21.275 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.094 -7.056 -20.245 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.534 -6.778 -22.990 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.647 -5.864 -24.036 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.027 -7.543 -23.585 1.00 52.54 H new ATOM 0 HD11 ILE A 37 8.956 -7.629 -19.202 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.031 -5.887 -19.557 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.080 -6.968 -20.603 1.00 30.21 H new ATOM 595 N PRO A 38 12.230 -5.483 -24.718 1.00 44.01 N ATOM 596 CA PRO A 38 12.355 -4.712 -25.957 1.00 45.20 C ATOM 597 C PRO A 38 11.009 -4.208 -26.465 1.00 54.33 C ATOM 598 O PRO A 38 10.039 -4.962 -26.533 1.00 60.25 O ATOM 599 CB PRO A 38 12.957 -5.717 -26.942 1.00 73.53 C ATOM 600 CG PRO A 38 12.546 -7.051 -26.421 1.00 4.32 C ATOM 601 CD PRO A 38 12.505 -6.916 -24.923 1.00 74.43 C ATOM 0 HA PRO A 38 12.960 -3.816 -25.819 1.00 45.20 H new ATOM 0 HB2 PRO A 38 12.582 -5.554 -27.952 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.042 -5.626 -26.986 1.00 73.53 H new ATOM 0 HG2 PRO A 38 11.571 -7.340 -26.814 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.253 -7.823 -26.724 1.00 4.32 H new ATOM 0 HD2 PRO A 38 11.728 -7.541 -24.484 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.449 -7.214 -24.467 1.00 74.43 H new ATOM 609 N GLY A 39 10.956 -2.929 -26.821 1.00 4.32 N ATOM 610 CA GLY A 39 9.723 -2.347 -27.320 1.00 65.10 C ATOM 611 C GLY A 39 8.716 -2.090 -26.215 1.00 13.00 C ATOM 612 O GLY A 39 7.587 -1.676 -26.479 1.00 24.44 O ATOM 0 H GLY A 39 11.745 -2.284 -26.773 1.00 4.32 H new ATOM 0 HA2 GLY A 39 9.947 -1.410 -27.829 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.283 -3.015 -28.061 1.00 65.10 H new ATOM 616 N PHE A 40 9.125 -2.336 -24.975 1.00 1.42 N ATOM 617 CA PHE A 40 8.249 -2.131 -23.827 1.00 63.23 C ATOM 618 C PHE A 40 7.751 -0.690 -23.774 1.00 75.24 C ATOM 619 O PHE A 40 8.468 0.242 -24.141 1.00 4.41 O ATOM 620 CB PHE A 40 8.985 -2.476 -22.531 1.00 21.42 C ATOM 621 CG PHE A 40 8.340 -1.898 -21.303 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.124 -2.384 -20.848 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.950 -0.867 -20.605 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.529 -1.852 -19.720 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.358 -0.332 -19.476 1.00 1.00 C ATOM 626 CZ PHE A 40 7.147 -0.826 -19.032 1.00 62.30 C ATOM 0 H PHE A 40 10.057 -2.677 -24.739 1.00 1.42 H new ATOM 0 HA PHE A 40 7.388 -2.791 -23.935 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.036 -3.560 -22.429 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.011 -2.114 -22.598 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.637 -3.187 -21.381 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.898 -0.478 -20.947 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.581 -2.238 -19.376 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.842 0.472 -18.941 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.684 -0.411 -18.149 1.00 62.30 H new ATOM 636 N CYS A 41 6.516 -0.514 -23.316 1.00 41.12 N ATOM 637 CA CYS A 41 5.919 0.812 -23.215 1.00 52.51 C ATOM 638 C CYS A 41 4.738 0.805 -22.248 1.00 43.12 C ATOM 639 O CYS A 41 4.507 -0.176 -21.540 1.00 21.44 O ATOM 640 CB CYS A 41 5.462 1.295 -24.593 1.00 65.44 C ATOM 641 SG CYS A 41 3.980 0.444 -25.224 1.00 51.34 S ATOM 0 H CYS A 41 5.909 -1.274 -23.009 1.00 41.12 H new ATOM 0 HA CYS A 41 6.676 1.496 -22.831 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.260 2.365 -24.543 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.277 1.158 -25.303 1.00 65.44 H new ATOM 646 N LEU A 42 3.993 1.904 -22.226 1.00 12.45 N ATOM 647 CA LEU A 42 2.834 2.026 -21.347 1.00 22.41 C ATOM 648 C LEU A 42 1.585 2.393 -22.140 1.00 51.03 C ATOM 649 O LEU A 42 1.672 2.832 -23.288 1.00 23.33 O ATOM 650 CB LEU A 42 3.096 3.078 -20.268 1.00 3.12 C ATOM 651 CG LEU A 42 4.485 3.055 -19.630 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.678 4.263 -18.727 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.692 1.766 -18.850 1.00 64.35 C ATOM 0 H LEU A 42 4.170 2.724 -22.806 1.00 12.45 H new ATOM 0 HA LEU A 42 2.667 1.060 -20.870 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.935 4.064 -20.704 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.354 2.953 -19.479 1.00 3.12 H new ATOM 0 HG LEU A 42 5.229 3.099 -20.425 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.672 4.229 -18.282 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.574 5.176 -19.313 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.926 4.251 -17.938 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.686 1.767 -18.403 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.940 1.692 -18.064 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.598 0.914 -19.523 1.00 64.35 H new ATOM 665 N VAL A 43 0.422 2.214 -21.522 1.00 43.30 N ATOM 666 CA VAL A 43 -0.846 2.529 -22.168 1.00 31.01 C ATOM 667 C VAL A 43 -1.488 3.762 -21.544 1.00 54.02 C ATOM 668 O VAL A 43 -0.901 4.412 -20.679 1.00 1.44 O ATOM 669 CB VAL A 43 -1.831 1.349 -22.079 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.340 0.178 -22.918 1.00 24.03 C ATOM 671 CG2 VAL A 43 -2.030 0.930 -20.630 1.00 2.01 C ATOM 0 H VAL A 43 0.332 1.852 -20.573 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.626 2.729 -23.217 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.793 1.671 -22.476 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -2.049 -0.646 -22.842 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.253 0.488 -23.959 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.366 -0.147 -22.554 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.729 0.095 -20.585 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.074 0.626 -20.205 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.430 1.769 -20.060 1.00 2.01 H new ATOM 681 N LYS A 44 -2.701 4.079 -21.987 1.00 2.34 N ATOM 682 CA LYS A 44 -3.427 5.234 -21.472 1.00 53.21 C ATOM 683 C LYS A 44 -4.094 4.906 -20.139 1.00 52.14 C ATOM 684 O LYS A 44 -4.798 5.737 -19.566 1.00 22.22 O ATOM 685 CB LYS A 44 -4.480 5.692 -22.483 1.00 61.32 C ATOM 686 CG LYS A 44 -5.675 4.759 -22.581 1.00 71.24 C ATOM 687 CD LYS A 44 -5.911 4.306 -24.012 1.00 71.12 C ATOM 688 CE LYS A 44 -7.131 3.404 -24.117 1.00 11.52 C ATOM 689 NZ LYS A 44 -8.398 4.162 -23.927 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.202 3.551 -22.702 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.712 6.041 -21.312 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.828 6.687 -22.207 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.015 5.778 -23.465 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.512 3.889 -21.945 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.565 5.265 -22.207 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -6.045 5.177 -24.653 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -5.032 3.775 -24.376 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.141 2.919 -25.093 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.064 2.614 -23.369 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -9.208 3.535 -24.106 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -8.446 4.519 -22.952 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -8.427 4.962 -24.591 1.00 43.31 H new ATOM 703 N TRP A 45 -3.867 3.691 -19.653 1.00 61.52 N ATOM 704 CA TRP A 45 -4.445 3.255 -18.387 1.00 74.50 C ATOM 705 C TRP A 45 -3.358 2.794 -17.422 1.00 42.02 C ATOM 706 O TRP A 45 -3.603 1.965 -16.545 1.00 73.52 O ATOM 707 CB TRP A 45 -5.448 2.125 -18.623 1.00 42.20 C ATOM 708 CG TRP A 45 -6.690 2.572 -19.333 1.00 43.15 C ATOM 709 CD1 TRP A 45 -7.042 2.294 -20.623 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.744 3.377 -18.793 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.250 2.878 -20.917 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.702 3.547 -19.811 1.00 25.41 C ATOM 713 CE3 TRP A 45 -7.971 3.970 -17.548 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.866 4.286 -19.621 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.128 4.703 -17.360 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.064 4.855 -18.392 1.00 24.53 C ATOM 0 H TRP A 45 -3.287 2.991 -20.116 1.00 61.52 H new ATOM 0 HA TRP A 45 -4.963 4.104 -17.941 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.968 1.339 -19.206 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.724 1.688 -17.664 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.457 1.702 -21.311 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.732 2.822 -21.814 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.255 3.858 -16.747 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.588 4.406 -20.415 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.314 5.166 -16.402 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.959 5.432 -18.214 1.00 24.53 H new ATOM 727 N LYS A 46 -2.157 3.337 -17.588 1.00 42.21 N ATOM 728 CA LYS A 46 -1.032 2.982 -16.731 1.00 51.21 C ATOM 729 C LYS A 46 -0.473 4.216 -16.029 1.00 0.41 C ATOM 730 O LYS A 46 -0.719 5.345 -16.451 1.00 73.52 O ATOM 731 CB LYS A 46 0.068 2.307 -17.552 1.00 62.45 C ATOM 732 CG LYS A 46 -0.287 0.902 -18.005 1.00 61.44 C ATOM 733 CD LYS A 46 0.451 -0.150 -17.193 1.00 44.12 C ATOM 734 CE LYS A 46 0.709 -1.406 -18.011 1.00 21.31 C ATOM 735 NZ LYS A 46 -0.510 -1.852 -18.740 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.937 4.025 -18.308 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.390 2.285 -15.973 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.283 2.919 -18.428 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.981 2.268 -16.958 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.362 0.749 -17.909 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.041 0.786 -19.061 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.399 0.258 -16.843 1.00 44.12 H new ATOM 0 HD3 LYS A 46 -0.133 -0.404 -16.308 1.00 44.12 H new ATOM 0 HE2 LYS A 46 1.510 -1.216 -18.725 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.051 -2.204 -17.353 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 -0.497 -2.887 -18.837 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 -1.357 -1.564 -18.209 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 -0.529 -1.417 -19.684 1.00 41.31 H new ATOM 749 N GLN A 47 0.279 3.991 -14.956 1.00 64.53 N ATOM 750 CA GLN A 47 0.874 5.085 -14.198 1.00 74.13 C ATOM 751 C GLN A 47 2.012 5.734 -14.979 1.00 13.14 C ATOM 752 O GLN A 47 2.911 5.050 -15.470 1.00 23.10 O ATOM 753 CB GLN A 47 1.388 4.579 -12.849 1.00 24.11 C ATOM 754 CG GLN A 47 0.494 4.952 -11.678 1.00 62.21 C ATOM 755 CD GLN A 47 0.764 4.109 -10.447 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.830 3.510 -10.311 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.206 4.058 -9.540 1.00 45.00 N ATOM 0 H GLN A 47 0.490 3.062 -14.593 1.00 64.53 H new ATOM 0 HA GLN A 47 0.102 5.836 -14.026 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.485 3.494 -12.890 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.386 4.981 -12.676 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.642 6.004 -11.433 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.550 4.837 -11.971 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.075 4.570 -9.693 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.082 3.506 -8.691 1.00 45.00 H new ATOM 766 N CYS A 48 1.968 7.057 -15.089 1.00 31.24 N ATOM 767 CA CYS A 48 2.995 7.799 -15.810 1.00 22.31 C ATOM 768 C CYS A 48 4.111 8.241 -14.868 1.00 55.30 C ATOM 769 O CYS A 48 5.211 8.578 -15.305 1.00 50.32 O ATOM 770 CB CYS A 48 2.383 9.020 -16.500 1.00 73.10 C ATOM 771 SG CYS A 48 2.041 10.415 -15.378 1.00 25.31 S ATOM 0 H CYS A 48 1.232 7.638 -14.688 1.00 31.24 H new ATOM 0 HA CYS A 48 3.421 7.138 -16.565 1.00 22.31 H new ATOM 0 HB2 CYS A 48 3.059 9.357 -17.286 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.454 8.722 -16.985 1.00 73.10 H new ATOM 776 N ASP A 49 3.819 8.237 -13.571 1.00 45.13 N ATOM 777 CA ASP A 49 4.797 8.636 -12.566 1.00 34.44 C ATOM 778 C ASP A 49 6.115 7.895 -12.765 1.00 31.03 C ATOM 779 O ASP A 49 6.173 6.670 -12.653 1.00 25.13 O ATOM 780 CB ASP A 49 4.253 8.369 -11.161 1.00 20.02 C ATOM 781 CG ASP A 49 5.119 8.982 -10.079 1.00 23.14 C ATOM 782 OD1 ASP A 49 5.176 10.228 -9.999 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.739 8.218 -9.311 1.00 41.44 O ATOM 0 H ASP A 49 2.913 7.962 -13.192 1.00 45.13 H new ATOM 0 HA ASP A 49 4.982 9.704 -12.679 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.242 8.770 -11.084 1.00 20.02 H new ATOM 0 HB3 ASP A 49 4.183 7.293 -11.000 1.00 20.02 H new ATOM 788 N GLY A 50 7.171 8.644 -13.063 1.00 64.44 N ATOM 789 CA GLY A 50 8.474 8.041 -13.274 1.00 42.12 C ATOM 790 C GLY A 50 8.699 7.639 -14.718 1.00 40.31 C ATOM 791 O GLY A 50 9.828 7.665 -15.208 1.00 15.21 O ATOM 0 H GLY A 50 7.148 9.659 -13.162 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.250 8.744 -12.971 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.572 7.163 -12.636 1.00 42.12 H new ATOM 795 N ARG A 51 7.622 7.267 -15.403 1.00 1.11 N ATOM 796 CA ARG A 51 7.708 6.856 -16.798 1.00 3.05 C ATOM 797 C ARG A 51 7.038 7.880 -17.710 1.00 2.25 C ATOM 798 O ARG A 51 6.398 7.520 -18.698 1.00 3.34 O ATOM 799 CB ARG A 51 7.058 5.484 -16.989 1.00 51.11 C ATOM 800 CG ARG A 51 7.846 4.345 -16.363 1.00 20.31 C ATOM 801 CD ARG A 51 7.638 4.286 -14.858 1.00 11.03 C ATOM 802 NE ARG A 51 8.116 3.028 -14.289 1.00 71.21 N ATOM 803 CZ ARG A 51 8.285 2.829 -12.987 1.00 71.51 C ATOM 804 NH1 ARG A 51 8.016 3.798 -12.123 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 8.724 1.657 -12.546 1.00 71.12 N ATOM 0 H ARG A 51 6.680 7.242 -15.013 1.00 1.11 H new ATOM 0 HA ARG A 51 8.762 6.792 -17.067 1.00 3.05 H new ATOM 0 HB2 ARG A 51 6.057 5.502 -16.558 1.00 51.11 H new ATOM 0 HB3 ARG A 51 6.942 5.291 -18.056 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.540 3.400 -16.811 1.00 20.31 H new ATOM 0 HG3 ARG A 51 8.907 4.472 -16.580 1.00 20.31 H new ATOM 0 HD2 ARG A 51 8.160 5.119 -14.387 1.00 11.03 H new ATOM 0 HD3 ARG A 51 6.578 4.406 -14.633 1.00 11.03 H new ATOM 0 HE ARG A 51 8.332 2.261 -14.926 1.00 71.21 H new ATOM 0 HH11 ARG A 51 7.678 4.700 -12.458 1.00 5.32 H new ATOM 0 HH12 ARG A 51 8.147 3.641 -11.124 1.00 5.32 H new ATOM 0 HH21 ARG A 51 8.932 0.909 -13.207 1.00 71.12 H new ATOM 0 HH22 ARG A 51 8.854 1.505 -11.546 1.00 71.12 H new ATOM 819 N GLU A 52 7.188 9.156 -17.369 1.00 24.42 N ATOM 820 CA GLU A 52 6.595 10.231 -18.155 1.00 31.15 C ATOM 821 C GLU A 52 7.127 10.216 -19.586 1.00 45.14 C ATOM 822 O GLU A 52 6.522 10.793 -20.490 1.00 54.45 O ATOM 823 CB GLU A 52 6.884 11.586 -17.507 1.00 70.10 C ATOM 824 CG GLU A 52 8.354 11.972 -17.530 1.00 13.21 C ATOM 825 CD GLU A 52 8.735 12.888 -16.383 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.999 13.865 -16.136 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.769 12.628 -15.734 1.00 51.44 O1- ATOM 0 H GLU A 52 7.715 9.470 -16.554 1.00 24.42 H new ATOM 0 HA GLU A 52 5.517 10.073 -18.184 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.307 12.355 -18.021 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.539 11.566 -16.473 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.963 11.069 -17.487 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.581 12.465 -18.475 1.00 13.21 H new ATOM 834 N ARG A 53 8.261 9.552 -19.782 1.00 4.13 N ATOM 835 CA ARG A 53 8.876 9.462 -21.101 1.00 53.25 C ATOM 836 C ARG A 53 9.109 8.006 -21.494 1.00 61.40 C ATOM 837 O ARG A 53 10.000 7.703 -22.287 1.00 72.20 O ATOM 838 CB ARG A 53 10.200 10.226 -21.122 1.00 72.43 C ATOM 839 CG ARG A 53 10.074 11.676 -20.684 1.00 65.33 C ATOM 840 CD ARG A 53 11.180 12.535 -21.278 1.00 3.24 C ATOM 841 NE ARG A 53 10.987 12.764 -22.707 1.00 34.41 N ATOM 842 CZ ARG A 53 10.160 13.678 -23.200 1.00 52.53 C ATOM 843 NH1 ARG A 53 9.452 14.446 -22.384 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 10.040 13.826 -24.514 1.00 14.35 N ATOM 0 H ARG A 53 8.773 9.068 -19.044 1.00 4.13 H new ATOM 0 HA ARG A 53 8.195 9.910 -21.824 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.912 9.719 -20.471 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.612 10.195 -22.131 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.104 12.067 -20.990 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.112 11.733 -19.596 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.214 13.493 -20.759 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.143 12.050 -21.115 1.00 3.24 H new ATOM 0 HE ARG A 53 11.517 12.190 -23.363 1.00 34.41 H new ATOM 0 HH11 ARG A 53 9.542 14.336 -21.374 1.00 75.13 H new ATOM 0 HH12 ARG A 53 8.818 15.147 -22.766 1.00 75.13 H new ATOM 0 HH21 ARG A 53 10.583 13.237 -25.145 1.00 14.35 H new ATOM 0 HH22 ARG A 53 9.404 14.528 -24.892 1.00 14.35 H new ATOM 858 N ASP A 54 8.302 7.111 -20.935 1.00 54.44 N ATOM 859 CA ASP A 54 8.420 5.687 -21.227 1.00 31.21 C ATOM 860 C ASP A 54 7.170 5.173 -21.934 1.00 61.13 C ATOM 861 O ASP A 54 7.212 4.159 -22.633 1.00 60.01 O ATOM 862 CB ASP A 54 8.653 4.898 -19.939 1.00 61.24 C ATOM 863 CG ASP A 54 9.858 3.983 -20.030 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.879 3.120 -20.932 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.780 4.129 -19.199 1.00 42.13 O ATOM 0 H ASP A 54 7.559 7.346 -20.277 1.00 54.44 H new ATOM 0 HA ASP A 54 9.274 5.546 -21.889 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.790 5.593 -19.111 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.766 4.305 -19.714 1.00 61.24 H new ATOM 870 N CYS A 55 6.058 5.876 -21.748 1.00 51.44 N ATOM 871 CA CYS A 55 4.796 5.491 -22.366 1.00 52.31 C ATOM 872 C CYS A 55 4.972 5.258 -23.863 1.00 63.35 C ATOM 873 O CYS A 55 6.008 5.595 -24.438 1.00 61.14 O ATOM 874 CB CYS A 55 3.737 6.569 -22.128 1.00 15.01 C ATOM 875 SG CYS A 55 3.475 6.979 -20.372 1.00 50.34 S ATOM 0 H CYS A 55 6.006 6.717 -21.173 1.00 51.44 H new ATOM 0 HA CYS A 55 4.466 4.559 -21.907 1.00 52.31 H new ATOM 0 HB2 CYS A 55 4.028 7.474 -22.662 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.792 6.236 -22.557 1.00 15.01 H new ATOM 880 N CYS A 56 3.953 4.680 -24.491 1.00 32.14 N ATOM 881 CA CYS A 56 3.994 4.402 -25.921 1.00 3.14 C ATOM 882 C CYS A 56 4.010 5.696 -26.727 1.00 52.12 C ATOM 883 O CYS A 56 3.992 6.790 -26.164 1.00 1.22 O ATOM 884 CB CYS A 56 2.791 3.548 -26.330 1.00 72.45 C ATOM 885 SG CYS A 56 3.137 1.760 -26.401 1.00 3.31 S ATOM 0 H CYS A 56 3.088 4.395 -24.031 1.00 32.14 H new ATOM 0 HA CYS A 56 4.911 3.852 -26.133 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.979 3.722 -25.624 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.440 3.878 -27.308 1.00 72.45 H new ATOM 890 N ALA A 57 4.044 5.564 -28.050 1.00 24.11 N ATOM 891 CA ALA A 57 4.060 6.722 -28.934 1.00 42.23 C ATOM 892 C ALA A 57 2.693 7.398 -28.978 1.00 72.42 C ATOM 893 O ALA A 57 1.684 6.759 -29.272 1.00 32.44 O ATOM 894 CB ALA A 57 4.495 6.314 -30.332 1.00 3.21 C ATOM 0 H ALA A 57 4.061 4.665 -28.532 1.00 24.11 H new ATOM 0 HA ALA A 57 4.779 7.440 -28.538 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.502 7.190 -30.981 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.496 5.885 -30.291 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.799 5.574 -30.728 1.00 3.21 H new ATOM 900 N GLY A 58 2.668 8.695 -28.685 1.00 45.51 N ATOM 901 CA GLY A 58 1.420 9.434 -28.698 1.00 33.35 C ATOM 902 C GLY A 58 0.877 9.678 -27.303 1.00 32.21 C ATOM 903 O GLY A 58 0.046 10.563 -27.099 1.00 4.20 O ATOM 0 H GLY A 58 3.490 9.246 -28.439 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.573 10.391 -29.198 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.681 8.884 -29.281 1.00 33.35 H new ATOM 907 N LEU A 59 1.346 8.891 -26.341 1.00 62.12 N ATOM 908 CA LEU A 59 0.902 9.025 -24.959 1.00 12.44 C ATOM 909 C LEU A 59 1.661 10.141 -24.247 1.00 51.41 C ATOM 910 O LEU A 59 2.591 10.723 -24.805 1.00 13.31 O ATOM 911 CB LEU A 59 1.094 7.706 -24.210 1.00 0.22 C ATOM 912 CG LEU A 59 0.042 6.627 -24.470 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.354 5.373 -23.668 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.349 7.145 -24.133 1.00 50.20 C ATOM 0 H LEU A 59 2.034 8.153 -26.493 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.158 9.280 -24.969 1.00 12.44 H new ATOM 0 HB2 LEU A 59 2.072 7.302 -24.471 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.112 7.918 -23.141 1.00 0.22 H new ATOM 0 HG LEU A 59 0.066 6.372 -25.529 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.405 4.616 -23.866 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.332 4.990 -23.958 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.359 5.613 -22.605 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.084 6.364 -24.324 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.387 7.429 -23.081 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.573 8.014 -24.752 1.00 50.20 H new ATOM 926 N GLU A 60 1.258 10.432 -23.015 1.00 13.01 N ATOM 927 CA GLU A 60 1.902 11.478 -22.228 1.00 5.33 C ATOM 928 C GLU A 60 1.530 11.356 -20.753 1.00 35.33 C ATOM 929 O GLU A 60 0.549 10.701 -20.400 1.00 50.25 O ATOM 930 CB GLU A 60 1.506 12.859 -22.752 1.00 50.33 C ATOM 931 CG GLU A 60 0.061 13.228 -22.462 1.00 41.10 C ATOM 932 CD GLU A 60 -0.515 14.185 -23.488 1.00 3.12 C ATOM 933 OE1 GLU A 60 0.176 15.164 -23.841 1.00 52.34 O ATOM 934 OE2 GLU A 60 -1.657 13.955 -23.939 1.00 2.21 O1- ATOM 0 H GLU A 60 0.489 9.959 -22.540 1.00 13.01 H new ATOM 0 HA GLU A 60 2.981 11.357 -22.324 1.00 5.33 H new ATOM 0 HB2 GLU A 60 2.160 13.609 -22.307 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.671 12.891 -23.829 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.543 12.321 -22.437 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.003 13.681 -21.473 1.00 41.10 H new ATOM 941 N CYS A 61 2.322 11.990 -19.895 1.00 32.21 N ATOM 942 CA CYS A 61 2.079 11.954 -18.458 1.00 32.23 C ATOM 943 C CYS A 61 0.843 12.770 -18.094 1.00 41.14 C ATOM 944 O CYS A 61 0.914 13.990 -17.945 1.00 25.31 O ATOM 945 CB CYS A 61 3.297 12.486 -17.700 1.00 74.11 C ATOM 946 SG CYS A 61 3.434 11.874 -15.989 1.00 3.45 S ATOM 0 H CYS A 61 3.139 12.536 -20.170 1.00 32.21 H new ATOM 0 HA CYS A 61 1.905 10.917 -18.170 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.200 12.212 -18.246 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.254 13.575 -17.683 1.00 74.11 H new ATOM 951 N TRP A 62 -0.289 12.089 -17.953 1.00 31.21 N ATOM 952 CA TRP A 62 -1.541 12.752 -17.608 1.00 62.54 C ATOM 953 C TRP A 62 -1.635 12.987 -16.104 1.00 11.34 C ATOM 954 O TRP A 62 -1.392 12.080 -15.307 1.00 63.25 O ATOM 955 CB TRP A 62 -2.731 11.915 -18.081 1.00 22.53 C ATOM 956 CG TRP A 62 -3.988 12.715 -18.255 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.111 14.073 -18.184 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.297 12.205 -18.526 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.418 14.438 -18.396 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.166 13.311 -18.608 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.820 10.922 -18.709 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.527 13.171 -18.865 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.172 10.784 -18.963 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.013 11.903 -19.040 1.00 43.24 C ATOM 0 H TRP A 62 -0.365 11.079 -18.072 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.563 13.719 -18.110 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.478 11.439 -19.028 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -2.913 11.117 -17.362 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.300 14.759 -17.990 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.774 15.394 -18.396 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.180 10.054 -18.653 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.176 14.032 -18.924 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.587 9.797 -19.105 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.065 11.762 -19.241 1.00 43.24 H new ATOM 975 N LYS A 63 -1.989 14.209 -15.722 1.00 23.40 N ATOM 976 CA LYS A 63 -2.117 14.564 -14.313 1.00 52.14 C ATOM 977 C LYS A 63 -3.581 14.577 -13.887 1.00 24.33 C ATOM 978 O LYS A 63 -4.298 15.551 -14.121 1.00 41.02 O ATOM 979 CB LYS A 63 -1.487 15.933 -14.053 1.00 44.12 C ATOM 980 CG LYS A 63 -0.775 16.031 -12.714 1.00 53.51 C ATOM 981 CD LYS A 63 0.486 15.184 -12.689 1.00 4.40 C ATOM 982 CE LYS A 63 1.518 15.694 -13.682 1.00 40.12 C ATOM 983 NZ LYS A 63 2.909 15.421 -13.224 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.193 14.971 -16.369 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.592 13.811 -13.724 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.777 16.154 -14.850 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.264 16.696 -14.098 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.520 17.071 -12.512 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -1.447 15.708 -11.919 1.00 53.51 H new ATOM 0 HD2 LYS A 63 0.911 15.191 -11.685 1.00 4.40 H new ATOM 0 HD3 LYS A 63 0.235 14.149 -12.922 1.00 4.40 H new ATOM 0 HE2 LYS A 63 1.355 15.221 -14.651 1.00 40.12 H new ATOM 0 HE3 LYS A 63 1.386 16.767 -13.824 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 3.584 15.784 -13.928 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 3.073 15.893 -12.312 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 3.043 14.396 -13.112 1.00 71.35 H new ATOM 997 N ARG A 64 -4.019 13.491 -13.257 1.00 23.41 N ATOM 998 CA ARG A 64 -5.398 13.378 -12.797 1.00 20.52 C ATOM 999 C ARG A 64 -5.453 13.221 -11.280 1.00 15.01 C ATOM 1000 O ARG A 64 -4.760 12.381 -10.708 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.086 12.189 -13.469 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.018 12.587 -14.603 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.258 11.429 -15.559 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.561 10.804 -15.345 1.00 4.33 N ATOM 1005 CZ ARG A 64 -8.872 9.586 -15.775 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -7.979 8.866 -16.438 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.079 9.088 -15.541 1.00 55.42 N ATOM 0 H ARG A 64 -3.439 12.677 -13.054 1.00 23.41 H new ATOM 0 HA ARG A 64 -5.922 14.294 -13.070 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.325 11.511 -13.856 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.654 11.637 -12.720 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -7.970 12.924 -14.192 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.590 13.428 -15.149 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.192 11.787 -16.586 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.473 10.684 -15.430 1.00 21.45 H new ATOM 0 HE ARG A 64 -9.271 11.332 -14.837 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -7.050 9.247 -16.619 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -8.220 7.931 -16.767 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.768 9.640 -15.031 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -10.318 8.153 -15.871 1.00 55.42 H new ATOM 1021 N SER A 65 -6.283 14.035 -10.636 1.00 20.12 N ATOM 1022 CA SER A 65 -6.427 13.989 -9.186 1.00 63.33 C ATOM 1023 C SER A 65 -7.896 13.901 -8.788 1.00 1.01 C ATOM 1024 O SER A 65 -8.747 14.582 -9.358 1.00 23.41 O ATOM 1025 CB SER A 65 -5.786 15.225 -8.549 1.00 25.02 C ATOM 1026 OG SER A 65 -4.383 15.229 -8.741 1.00 51.35 O ATOM 0 H SER A 65 -6.866 14.734 -11.096 1.00 20.12 H new ATOM 0 HA SER A 65 -5.917 13.096 -8.823 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.218 16.127 -8.983 1.00 25.02 H new ATOM 0 HB3 SER A 65 -6.010 15.246 -7.482 1.00 25.02 H new ATOM 0 HG SER A 65 -3.998 16.029 -8.326 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.187 13.057 -7.802 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.553 12.895 -7.343 1.00 32.50 C ATOM 1034 C GLY A 66 -10.128 11.538 -7.701 1.00 23.21 C ATOM 1035 O GLY A 66 -11.089 11.082 -7.084 1.00 21.34 O ATOM 0 H GLY A 66 -7.500 12.483 -7.313 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.588 13.027 -6.262 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.175 13.676 -7.780 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.537 10.892 -8.701 1.00 74.50 N ATOM 1040 CA ASN A 67 -9.998 9.580 -9.142 1.00 52.31 C ATOM 1041 C ASN A 67 -8.956 8.508 -8.837 1.00 13.21 C ATOM 1042 O ASN A 67 -9.269 7.469 -8.258 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.302 9.600 -10.640 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.604 10.313 -10.956 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.652 9.991 -10.398 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.541 11.288 -11.857 1.00 50.12 N ATOM 0 H ASN A 67 -8.738 11.255 -9.221 1.00 74.50 H new ATOM 0 HA ASN A 67 -10.911 9.341 -8.597 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.484 10.091 -11.167 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.352 8.577 -11.012 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.384 11.803 -12.111 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -10.650 11.521 -12.295 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.714 8.768 -9.232 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.624 7.828 -9.002 1.00 70.13 C ATOM 1055 C LYS A 68 -5.272 8.499 -9.216 1.00 24.21 C ATOM 1056 O LYS A 68 -5.201 9.683 -9.548 1.00 24.20 O ATOM 1057 CB LYS A 68 -6.759 6.621 -9.932 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.467 5.438 -9.296 1.00 42.15 C ATOM 1059 CD LYS A 68 -7.049 4.126 -9.939 1.00 51.10 C ATOM 1060 CE LYS A 68 -7.407 2.936 -9.062 1.00 54.14 C ATOM 1061 NZ LYS A 68 -6.400 2.717 -7.986 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.437 9.624 -9.714 1.00 13.24 H new ATOM 0 HA LYS A 68 -6.682 7.490 -7.967 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.304 6.922 -10.827 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -5.766 6.309 -10.254 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -7.243 5.409 -8.230 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.545 5.564 -9.392 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -7.536 4.024 -10.909 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -5.974 4.135 -10.121 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -8.388 3.097 -8.614 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -7.481 2.040 -9.678 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -6.680 1.897 -7.410 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -5.469 2.538 -8.413 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -6.348 3.562 -7.382 1.00 5.22 H new ATOM 1075 N SER A 69 -4.200 7.737 -9.025 1.00 71.50 N ATOM 1076 CA SER A 69 -2.849 8.259 -9.195 1.00 14.31 C ATOM 1077 C SER A 69 -2.651 8.804 -10.606 1.00 24.23 C ATOM 1078 O SER A 69 -3.551 8.733 -11.442 1.00 73.23 O ATOM 1079 CB SER A 69 -1.817 7.167 -8.908 1.00 24.24 C ATOM 1080 OG SER A 69 -1.564 7.057 -7.518 1.00 64.42 O ATOM 0 H SER A 69 -4.241 6.755 -8.752 1.00 71.50 H new ATOM 0 HA SER A 69 -2.710 9.075 -8.486 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.177 6.212 -9.292 1.00 24.24 H new ATOM 0 HB3 SER A 69 -0.889 7.392 -9.433 1.00 24.24 H new ATOM 0 HG SER A 69 -0.902 6.351 -7.361 1.00 64.42 H new ATOM 1086 N SER A 70 -1.467 9.348 -10.862 1.00 24.02 N ATOM 1087 CA SER A 70 -1.149 9.910 -12.170 1.00 70.11 C ATOM 1088 C SER A 70 -1.020 8.808 -13.217 1.00 12.53 C ATOM 1089 O SER A 70 -0.231 7.876 -13.060 1.00 34.55 O ATOM 1090 CB SER A 70 0.147 10.719 -12.101 1.00 35.12 C ATOM 1091 OG SER A 70 1.271 9.908 -12.398 1.00 4.53 O ATOM 0 H SER A 70 -0.711 9.412 -10.181 1.00 24.02 H new ATOM 0 HA SER A 70 -1.965 10.571 -12.462 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.098 11.550 -12.804 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.258 11.150 -11.106 1.00 35.12 H new ATOM 0 HG SER A 70 1.546 10.057 -13.327 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.801 8.923 -14.287 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.774 7.937 -15.361 1.00 51.23 C ATOM 1099 C VAL A 71 -1.357 8.576 -16.681 1.00 35.12 C ATOM 1100 O VAL A 71 -1.122 9.782 -16.754 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.148 7.264 -15.540 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.441 6.333 -14.374 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.239 8.313 -15.684 1.00 25.23 C ATOM 0 H VAL A 71 -2.459 9.688 -14.433 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.042 7.180 -15.079 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.127 6.668 -16.453 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.416 5.866 -14.517 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.673 5.561 -14.323 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.445 6.903 -13.445 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.203 7.820 -15.810 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.264 8.937 -14.791 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.033 8.935 -16.555 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.269 7.759 -17.726 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.881 8.242 -19.045 1.00 12.45 C ATOM 1115 C CYS A 72 -2.099 8.371 -19.957 1.00 40.11 C ATOM 1116 O CYS A 72 -3.096 7.674 -19.778 1.00 33.42 O ATOM 1117 CB CYS A 72 0.145 7.300 -19.676 1.00 45.13 C ATOM 1118 SG CYS A 72 1.837 7.970 -19.729 1.00 32.40 S ATOM 0 H CYS A 72 -1.462 6.758 -17.684 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.432 9.228 -18.925 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.154 6.364 -19.118 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.172 7.063 -20.691 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.007 9.266 -20.935 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.099 9.484 -21.876 1.00 74.50 C ATOM 1125 C ALA A 73 -2.567 9.854 -23.257 1.00 24.12 C ATOM 1126 O ALA A 73 -1.448 10.345 -23.407 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.031 10.569 -21.359 1.00 34.14 C ATOM 0 H ALA A 73 -1.188 9.852 -21.096 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.659 8.553 -21.968 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.842 10.722 -22.071 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.445 10.265 -20.397 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.475 11.499 -21.237 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.387 9.613 -24.290 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.020 9.913 -25.678 1.00 3.31 C ATOM 1135 C PRO A 74 -2.958 11.411 -25.950 1.00 22.40 C ATOM 1136 O PRO A 74 -3.350 12.221 -25.109 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.146 9.269 -26.490 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.309 9.230 -25.560 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.734 9.029 -24.185 1.00 71.33 C ATOM 0 HA PRO A 74 -2.028 9.537 -25.927 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.373 9.851 -27.383 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.872 8.268 -26.823 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.881 10.156 -25.612 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -5.990 8.420 -25.820 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.331 9.530 -23.423 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.695 7.973 -23.916 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.464 11.775 -27.129 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.353 13.177 -27.511 1.00 21.04 C ATOM 1149 C ILE A 75 -3.701 13.884 -27.406 1.00 1.24 C ATOM 1150 O ILE A 75 -4.754 13.263 -27.550 1.00 71.12 O ATOM 1151 CB ILE A 75 -1.817 13.328 -28.947 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.588 12.414 -29.902 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.329 13.016 -28.993 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.481 12.827 -31.353 1.00 54.32 C ATOM 0 H ILE A 75 -2.134 11.118 -27.836 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.649 13.638 -26.819 1.00 21.04 H new ATOM 0 HB ILE A 75 -1.962 14.360 -29.266 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.217 11.395 -29.795 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.639 12.403 -29.612 1.00 51.41 H new ATOM 0 HG21 ILE A 75 0.035 13.127 -30.015 1.00 51.24 H new ATOM 0 HG22 ILE A 75 0.207 13.704 -28.340 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.161 11.993 -28.658 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.052 12.134 -31.971 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -2.879 13.835 -31.475 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.435 12.810 -31.660 1.00 54.32 H new ATOM 1166 N THR A 76 -3.659 15.189 -27.155 1.00 52.02 N ATOM 1167 CA THR A 76 -4.876 15.982 -27.032 1.00 31.24 C ATOM 1168 C THR A 76 -4.790 17.255 -27.866 1.00 33.21 C ATOM 1169 O THR A 76 -5.435 17.371 -28.908 1.00 71.35 O ATOM 1170 CB THR A 76 -5.153 16.360 -25.565 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.008 17.010 -25.002 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.498 15.127 -24.744 1.00 61.00 C ATOM 0 H THR A 76 -2.796 15.719 -27.033 1.00 52.02 H new ATOM 0 HA THR A 76 -5.695 15.364 -27.401 1.00 31.24 H new ATOM 0 HB THR A 76 -6.004 17.041 -25.543 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.193 17.249 -24.070 1.00 24.25 H new ATOM 0 HG21 THR A 76 -5.689 15.419 -23.712 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.387 14.652 -25.158 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.665 14.425 -24.774 1.00 61.00 H new TER 1180 THR A 76