USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 2 SER OG : rot 31:sc= 0.841 USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.00628) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.597 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -2.31! K(o=-2.3!,f=-1.6) USER MOD Single : A 18 SER OG : rot 150:sc= -0.493 USER MOD Single : A 22 SER OG : rot -42:sc= 0.0431 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -10.6! C(o=-11!,f=-9.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -142:sc= -4.64! (180deg=-10.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.477 (180deg=-1.76!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0992 K(o=-0.099,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.305 12.304 -13.293 1.00 0.00 N ATOM 2 CA SER A 2 0.383 11.132 -12.377 1.00 0.00 C ATOM 3 C SER A 2 0.786 11.609 -10.979 1.00 0.00 C ATOM 4 O SER A 2 1.940 11.878 -10.715 1.00 0.00 O ATOM 5 CB SER A 2 1.427 10.146 -12.902 1.00 0.00 C ATOM 6 OG SER A 2 1.680 10.417 -14.275 1.00 0.00 O ATOM 0 HA SER A 2 -0.588 10.639 -12.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.348 10.233 -12.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.071 9.123 -12.781 1.00 0.00 H new ATOM 0 HG SER A 2 1.557 11.374 -14.448 1.00 0.00 H new ATOM 12 N ASP A 3 -0.156 11.718 -10.082 1.00 0.00 N ATOM 13 CA ASP A 3 0.176 12.181 -8.705 1.00 0.00 C ATOM 14 C ASP A 3 0.448 10.972 -7.805 1.00 0.00 C ATOM 15 O ASP A 3 1.554 10.474 -7.737 1.00 0.00 O ATOM 16 CB ASP A 3 -0.996 12.989 -8.141 1.00 0.00 C ATOM 17 CG ASP A 3 -0.857 14.454 -8.559 1.00 0.00 C ATOM 18 OD1 ASP A 3 -0.217 15.199 -7.835 1.00 0.00 O ATOM 19 OD2 ASP A 3 -1.395 14.807 -9.596 1.00 0.00 O ATOM 0 H ASP A 3 -1.141 11.506 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 3 1.066 12.809 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.940 12.584 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.015 12.911 -7.054 1.00 0.00 H new ATOM 24 N LYS A 4 -0.550 10.498 -7.109 1.00 0.00 N ATOM 25 CA LYS A 4 -0.343 9.325 -6.212 1.00 0.00 C ATOM 26 C LYS A 4 0.336 8.193 -6.995 1.00 0.00 C ATOM 27 O LYS A 4 0.003 7.947 -8.138 1.00 0.00 O ATOM 28 CB LYS A 4 -1.697 8.845 -5.683 1.00 0.00 C ATOM 29 CG LYS A 4 -1.476 7.830 -4.559 1.00 0.00 C ATOM 30 CD LYS A 4 -2.821 7.470 -3.922 1.00 0.00 C ATOM 31 CE LYS A 4 -3.300 8.630 -3.046 1.00 0.00 C ATOM 32 NZ LYS A 4 -2.624 8.563 -1.720 1.00 0.00 N ATOM 0 H LYS A 4 -1.499 10.872 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 4 0.292 9.614 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.276 9.692 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.274 8.391 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.997 6.934 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.805 8.245 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.557 7.258 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.721 6.565 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.080 9.581 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.381 8.581 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.536 9.522 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.186 7.974 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.678 8.147 -1.833 1.00 0.00 H new ATOM 46 N PRO A 5 1.270 7.534 -6.353 1.00 0.00 N ATOM 47 CA PRO A 5 2.018 6.421 -6.957 1.00 0.00 C ATOM 48 C PRO A 5 1.185 5.142 -6.972 1.00 0.00 C ATOM 49 O PRO A 5 0.179 5.032 -6.301 1.00 0.00 O ATOM 50 CB PRO A 5 3.231 6.263 -6.064 1.00 0.00 C ATOM 51 CG PRO A 5 2.855 6.887 -4.714 1.00 0.00 C ATOM 52 CD PRO A 5 1.671 7.835 -4.969 1.00 0.00 C ATOM 0 HA PRO A 5 2.284 6.616 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.493 5.212 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.099 6.762 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.582 6.114 -3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.700 7.431 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.856 7.654 -4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.963 8.879 -4.855 1.00 0.00 H new ATOM 60 N LYS A 6 1.602 4.176 -7.736 1.00 0.00 N ATOM 61 CA LYS A 6 0.840 2.898 -7.799 1.00 0.00 C ATOM 62 C LYS A 6 1.225 2.015 -6.613 1.00 0.00 C ATOM 63 O LYS A 6 1.981 1.077 -6.750 1.00 0.00 O ATOM 64 CB LYS A 6 1.146 2.178 -9.107 1.00 0.00 C ATOM 65 CG LYS A 6 2.620 1.773 -9.147 1.00 0.00 C ATOM 66 CD LYS A 6 3.086 1.701 -10.603 1.00 0.00 C ATOM 67 CE LYS A 6 3.607 0.295 -10.904 1.00 0.00 C ATOM 68 NZ LYS A 6 4.712 0.377 -11.900 1.00 0.00 N ATOM 0 H LYS A 6 2.437 4.214 -8.320 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.228 3.111 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.515 1.295 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.915 2.827 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.222 2.495 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.757 0.807 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.261 1.945 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.870 2.437 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.963 -0.176 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.800 -0.328 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.066 -0.579 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.358 0.810 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.484 0.957 -11.515 1.00 0.00 H new ATOM 82 N ARG A 7 0.700 2.346 -5.458 1.00 0.00 N ATOM 83 CA ARG A 7 0.975 1.599 -4.188 1.00 0.00 C ATOM 84 C ARG A 7 1.854 0.346 -4.399 1.00 0.00 C ATOM 85 O ARG A 7 1.525 -0.528 -5.176 1.00 0.00 O ATOM 86 CB ARG A 7 -0.354 1.172 -3.562 1.00 0.00 C ATOM 87 CG ARG A 7 -1.071 0.196 -4.499 1.00 0.00 C ATOM 88 CD ARG A 7 -2.510 -0.007 -4.022 1.00 0.00 C ATOM 89 NE ARG A 7 -3.347 -0.486 -5.158 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.490 0.090 -5.415 1.00 0.00 C ATOM 91 NH1 ARG A 7 -5.194 0.604 -4.444 1.00 0.00 N ATOM 92 NH2 ARG A 7 -4.930 0.149 -6.642 1.00 0.00 N ATOM 0 H ARG A 7 0.066 3.136 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 7 1.526 2.274 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.178 0.701 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.980 2.046 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.066 0.583 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.545 -0.759 -4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.536 -0.730 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.910 0.928 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.027 -1.264 -5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.851 0.556 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.087 1.054 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.381 -0.255 -7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.823 0.599 -6.842 1.00 0.00 H new ATOM 106 N PRO A 8 2.942 0.308 -3.667 1.00 0.00 N ATOM 107 CA PRO A 8 3.916 -0.796 -3.693 1.00 0.00 C ATOM 108 C PRO A 8 3.371 -1.998 -2.916 1.00 0.00 C ATOM 109 O PRO A 8 2.564 -1.854 -2.019 1.00 0.00 O ATOM 110 CB PRO A 8 5.152 -0.189 -3.008 1.00 0.00 C ATOM 111 CG PRO A 8 4.634 0.994 -2.147 1.00 0.00 C ATOM 112 CD PRO A 8 3.290 1.389 -2.738 1.00 0.00 C ATOM 0 HA PRO A 8 4.136 -1.167 -4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.656 -0.930 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.876 0.155 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.529 0.699 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.332 1.830 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.535 1.497 -1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.354 2.346 -3.255 1.00 0.00 H new ATOM 120 N LEU A 9 3.795 -3.184 -3.260 1.00 0.00 N ATOM 121 CA LEU A 9 3.281 -4.389 -2.543 1.00 0.00 C ATOM 122 C LEU A 9 4.358 -5.475 -2.462 1.00 0.00 C ATOM 123 O LEU A 9 5.480 -5.307 -2.896 1.00 0.00 O ATOM 124 CB LEU A 9 2.012 -4.906 -3.251 1.00 0.00 C ATOM 125 CG LEU A 9 2.327 -6.112 -4.136 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.088 -6.490 -4.944 1.00 0.00 C ATOM 127 CD2 LEU A 9 3.467 -5.751 -5.079 1.00 0.00 C ATOM 0 H LEU A 9 4.470 -3.371 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 9 3.022 -4.115 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.264 -5.182 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.580 -4.110 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 9 2.620 -6.959 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.313 -7.350 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.274 -6.742 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.791 -5.649 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.698 -6.606 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.171 -4.906 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.349 -5.482 -4.498 1.00 0.00 H new ATOM 139 N SER A 10 4.001 -6.579 -1.881 1.00 0.00 N ATOM 140 CA SER A 10 4.962 -7.711 -1.716 1.00 0.00 C ATOM 141 C SER A 10 5.117 -8.507 -3.020 1.00 0.00 C ATOM 142 O SER A 10 4.241 -8.533 -3.876 1.00 0.00 O ATOM 143 CB SER A 10 4.451 -8.644 -0.618 1.00 0.00 C ATOM 144 OG SER A 10 4.550 -7.990 0.640 1.00 0.00 O ATOM 0 H SER A 10 3.069 -6.754 -1.505 1.00 0.00 H new ATOM 0 HA SER A 10 5.935 -7.299 -1.448 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.416 -8.923 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.033 -9.565 -0.608 1.00 0.00 H new ATOM 0 HG SER A 10 4.221 -8.586 1.345 1.00 0.00 H new ATOM 150 N ALA A 11 6.233 -9.172 -3.166 1.00 0.00 N ATOM 151 CA ALA A 11 6.476 -9.986 -4.390 1.00 0.00 C ATOM 152 C ALA A 11 5.440 -11.107 -4.465 1.00 0.00 C ATOM 153 O ALA A 11 4.846 -11.350 -5.497 1.00 0.00 O ATOM 154 CB ALA A 11 7.877 -10.592 -4.326 1.00 0.00 C ATOM 0 H ALA A 11 6.991 -9.185 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 11 6.394 -9.353 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.057 -11.188 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.617 -9.793 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.959 -11.228 -3.444 1.00 0.00 H new ATOM 160 N TYR A 12 5.210 -11.787 -3.376 1.00 0.00 N ATOM 161 CA TYR A 12 4.209 -12.880 -3.376 1.00 0.00 C ATOM 162 C TYR A 12 2.930 -12.379 -4.050 1.00 0.00 C ATOM 163 O TYR A 12 2.192 -13.136 -4.648 1.00 0.00 O ATOM 164 CB TYR A 12 3.929 -13.263 -1.925 1.00 0.00 C ATOM 165 CG TYR A 12 2.653 -14.063 -1.834 1.00 0.00 C ATOM 166 CD1 TYR A 12 2.360 -15.023 -2.809 1.00 0.00 C ATOM 167 CD2 TYR A 12 1.765 -13.843 -0.776 1.00 0.00 C ATOM 168 CE1 TYR A 12 1.176 -15.764 -2.724 1.00 0.00 C ATOM 169 CE2 TYR A 12 0.581 -14.583 -0.692 1.00 0.00 C ATOM 170 CZ TYR A 12 0.286 -15.544 -1.666 1.00 0.00 C ATOM 171 OH TYR A 12 -0.882 -16.276 -1.583 1.00 0.00 O ATOM 0 H TYR A 12 5.677 -11.628 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 12 4.576 -13.750 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.761 -13.845 -1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.848 -12.365 -1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.046 -15.192 -3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.993 -13.102 -0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.949 -16.506 -3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.105 -14.413 0.124 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.385 -16.000 -0.789 1.00 0.00 H new ATOM 181 N MET A 13 2.671 -11.104 -3.961 1.00 0.00 N ATOM 182 CA MET A 13 1.453 -10.544 -4.597 1.00 0.00 C ATOM 183 C MET A 13 1.659 -10.468 -6.111 1.00 0.00 C ATOM 184 O MET A 13 0.813 -10.881 -6.880 1.00 0.00 O ATOM 185 CB MET A 13 1.205 -9.144 -4.047 1.00 0.00 C ATOM 186 CG MET A 13 0.953 -9.219 -2.540 1.00 0.00 C ATOM 187 SD MET A 13 -0.658 -9.985 -2.235 1.00 0.00 S ATOM 188 CE MET A 13 -0.900 -9.340 -0.562 1.00 0.00 C ATOM 0 H MET A 13 3.255 -10.425 -3.472 1.00 0.00 H new ATOM 0 HA MET A 13 0.596 -11.182 -4.381 1.00 0.00 H new ATOM 0 HB2 MET A 13 2.065 -8.505 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.348 -8.693 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.740 -9.798 -2.057 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.981 -8.220 -2.106 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.853 -9.694 -0.170 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.091 -9.686 0.082 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.901 -8.250 -0.589 1.00 0.00 H new ATOM 198 N LEU A 14 2.775 -9.944 -6.553 1.00 0.00 N ATOM 199 CA LEU A 14 3.003 -9.858 -8.030 1.00 0.00 C ATOM 200 C LEU A 14 2.657 -11.200 -8.665 1.00 0.00 C ATOM 201 O LEU A 14 1.948 -11.271 -9.650 1.00 0.00 O ATOM 202 CB LEU A 14 4.469 -9.526 -8.339 1.00 0.00 C ATOM 203 CG LEU A 14 4.975 -8.454 -7.372 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.354 -7.957 -7.819 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.991 -7.284 -7.364 1.00 0.00 C ATOM 0 H LEU A 14 3.526 -9.578 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 14 2.371 -9.067 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.080 -10.424 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.563 -9.175 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 14 5.056 -8.878 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.708 -7.194 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.056 -8.791 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.281 -7.532 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.345 -6.516 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.915 -6.866 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.011 -7.635 -7.042 1.00 0.00 H new ATOM 217 N TRP A 15 3.153 -12.266 -8.107 1.00 0.00 N ATOM 218 CA TRP A 15 2.859 -13.610 -8.672 1.00 0.00 C ATOM 219 C TRP A 15 1.354 -13.881 -8.593 1.00 0.00 C ATOM 220 O TRP A 15 0.757 -14.393 -9.519 1.00 0.00 O ATOM 221 CB TRP A 15 3.618 -14.675 -7.878 1.00 0.00 C ATOM 222 CG TRP A 15 3.165 -16.030 -8.312 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.671 -16.720 -9.360 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.123 -16.863 -7.735 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.003 -17.927 -9.461 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.039 -18.062 -8.481 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.251 -16.696 -6.646 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.119 -19.060 -8.156 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.325 -17.697 -6.316 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.259 -18.877 -7.070 1.00 0.00 C ATOM 0 H TRP A 15 3.751 -12.265 -7.281 1.00 0.00 H new ATOM 0 HA TRP A 15 3.176 -13.644 -9.714 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.691 -14.569 -8.038 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.441 -14.544 -6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.465 -16.384 -10.010 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.198 -18.631 -10.172 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.294 -15.791 -6.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.072 -19.967 -8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.340 -17.558 -5.477 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.456 -19.644 -6.812 1.00 0.00 H new ATOM 241 N LEU A 16 0.732 -13.540 -7.495 1.00 0.00 N ATOM 242 CA LEU A 16 -0.734 -13.781 -7.365 1.00 0.00 C ATOM 243 C LEU A 16 -1.479 -13.062 -8.494 1.00 0.00 C ATOM 244 O LEU A 16 -2.560 -13.456 -8.882 1.00 0.00 O ATOM 245 CB LEU A 16 -1.219 -13.246 -6.017 1.00 0.00 C ATOM 246 CG LEU A 16 -0.676 -14.129 -4.895 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.546 -13.305 -3.613 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.637 -15.296 -4.657 1.00 0.00 C ATOM 0 H LEU A 16 1.175 -13.106 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.930 -14.851 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.884 -12.218 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.309 -13.233 -5.989 1.00 0.00 H new ATOM 0 HG LEU A 16 0.303 -14.515 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.159 -13.936 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.138 -12.473 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.524 -12.918 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.251 -15.927 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.616 -14.909 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.729 -15.884 -5.570 1.00 0.00 H new ATOM 260 N ASN A 17 -0.917 -12.008 -9.020 1.00 0.00 N ATOM 261 CA ASN A 17 -1.603 -11.273 -10.112 1.00 0.00 C ATOM 262 C ASN A 17 -1.334 -11.954 -11.452 1.00 0.00 C ATOM 263 O ASN A 17 -2.232 -12.156 -12.246 1.00 0.00 O ATOM 264 CB ASN A 17 -1.088 -9.846 -10.150 1.00 0.00 C ATOM 265 CG ASN A 17 -0.887 -9.332 -8.723 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.679 -9.612 -7.845 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.148 -8.583 -8.454 1.00 0.00 N ATOM 0 H ASN A 17 -0.014 -11.627 -8.739 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.677 -11.272 -9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.147 -9.803 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.795 -9.208 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.292 -8.233 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.813 -8.348 -9.191 1.00 0.00 H new ATOM 274 N SER A 18 -0.109 -12.311 -11.716 1.00 0.00 N ATOM 275 CA SER A 18 0.201 -12.979 -13.009 1.00 0.00 C ATOM 276 C SER A 18 -0.220 -14.451 -12.939 1.00 0.00 C ATOM 277 O SER A 18 -0.008 -15.210 -13.863 1.00 0.00 O ATOM 278 CB SER A 18 1.698 -12.874 -13.289 1.00 0.00 C ATOM 279 OG SER A 18 2.248 -14.173 -13.470 1.00 0.00 O ATOM 0 H SER A 18 0.688 -12.170 -11.095 1.00 0.00 H new ATOM 0 HA SER A 18 -0.347 -12.491 -13.815 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.869 -12.270 -14.180 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.197 -12.370 -12.461 1.00 0.00 H new ATOM 0 HG SER A 18 3.009 -14.123 -14.085 1.00 0.00 H new ATOM 285 N ALA A 19 -0.815 -14.858 -11.851 1.00 0.00 N ATOM 286 CA ALA A 19 -1.249 -16.278 -11.729 1.00 0.00 C ATOM 287 C ALA A 19 -2.774 -16.348 -11.658 1.00 0.00 C ATOM 288 O ALA A 19 -3.346 -17.412 -11.603 1.00 0.00 O ATOM 289 CB ALA A 19 -0.660 -16.888 -10.455 1.00 0.00 C ATOM 0 H ALA A 19 -1.019 -14.270 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.898 -16.833 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.979 -17.927 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.428 -16.845 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.009 -16.327 -9.588 1.00 0.00 H new ATOM 295 N ARG A 20 -3.439 -15.227 -11.645 1.00 0.00 N ATOM 296 CA ARG A 20 -4.928 -15.257 -11.564 1.00 0.00 C ATOM 297 C ARG A 20 -5.508 -16.038 -12.744 1.00 0.00 C ATOM 298 O ARG A 20 -6.088 -17.092 -12.573 1.00 0.00 O ATOM 299 CB ARG A 20 -5.469 -13.826 -11.587 1.00 0.00 C ATOM 300 CG ARG A 20 -6.700 -13.730 -10.682 1.00 0.00 C ATOM 301 CD ARG A 20 -7.452 -12.433 -10.985 1.00 0.00 C ATOM 302 NE ARG A 20 -8.816 -12.500 -10.389 1.00 0.00 N ATOM 303 CZ ARG A 20 -9.655 -11.517 -10.570 1.00 0.00 C ATOM 304 NH1 ARG A 20 -9.575 -10.782 -11.647 1.00 0.00 N ATOM 305 NH2 ARG A 20 -10.572 -11.267 -9.676 1.00 0.00 N ATOM 0 H ARG A 20 -3.021 -14.297 -11.687 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.221 -15.748 -10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.701 -13.130 -11.249 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.731 -13.541 -12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.352 -14.588 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.398 -13.752 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.907 -11.581 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.521 -12.283 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.094 -13.314 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.857 -10.977 -12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.230 -10.013 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.634 -11.840 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.227 -10.498 -9.819 1.00 0.00 H new ATOM 319 N GLU A 21 -5.369 -15.532 -13.936 1.00 0.00 N ATOM 320 CA GLU A 21 -5.927 -16.251 -15.114 1.00 0.00 C ATOM 321 C GLU A 21 -5.224 -17.597 -15.270 1.00 0.00 C ATOM 322 O GLU A 21 -5.830 -18.588 -15.631 1.00 0.00 O ATOM 323 CB GLU A 21 -5.712 -15.410 -16.370 1.00 0.00 C ATOM 324 CG GLU A 21 -6.317 -14.019 -16.160 1.00 0.00 C ATOM 325 CD GLU A 21 -5.994 -13.133 -17.365 1.00 0.00 C ATOM 326 OE1 GLU A 21 -5.374 -13.629 -18.290 1.00 0.00 O ATOM 327 OE2 GLU A 21 -6.373 -11.974 -17.340 1.00 0.00 O ATOM 0 H GLU A 21 -4.894 -14.654 -14.146 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.994 -16.417 -14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.647 -15.327 -16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.176 -15.894 -17.229 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.397 -14.096 -16.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.919 -13.572 -15.249 1.00 0.00 H new ATOM 334 N SER A 22 -3.952 -17.643 -15.002 1.00 0.00 N ATOM 335 CA SER A 22 -3.212 -18.929 -15.135 1.00 0.00 C ATOM 336 C SER A 22 -3.589 -19.857 -13.979 1.00 0.00 C ATOM 337 O SER A 22 -3.290 -21.035 -13.995 1.00 0.00 O ATOM 338 CB SER A 22 -1.706 -18.661 -15.109 1.00 0.00 C ATOM 339 OG SER A 22 -1.016 -19.816 -15.568 1.00 0.00 O ATOM 0 H SER A 22 -3.391 -16.848 -14.697 1.00 0.00 H new ATOM 0 HA SER A 22 -3.476 -19.403 -16.080 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.466 -17.805 -15.740 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.387 -18.411 -14.097 1.00 0.00 H new ATOM 0 HG SER A 22 -1.425 -20.617 -15.179 1.00 0.00 H new ATOM 345 N ILE A 23 -4.257 -19.345 -12.983 1.00 0.00 N ATOM 346 CA ILE A 23 -4.662 -20.208 -11.842 1.00 0.00 C ATOM 347 C ILE A 23 -6.015 -20.838 -12.174 1.00 0.00 C ATOM 348 O ILE A 23 -6.196 -22.034 -12.068 1.00 0.00 O ATOM 349 CB ILE A 23 -4.752 -19.351 -10.563 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.377 -19.316 -9.891 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.766 -19.934 -9.573 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.361 -18.229 -8.814 1.00 0.00 C ATOM 0 H ILE A 23 -4.539 -18.367 -12.911 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.930 -20.998 -11.673 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.076 -18.349 -10.844 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.153 -20.286 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.603 -19.119 -10.633 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.806 -19.307 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.751 -19.967 -10.038 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.463 -20.943 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.382 -18.205 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.566 -17.261 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.124 -18.446 -8.067 1.00 0.00 H new ATOM 364 N LYS A 24 -6.965 -20.041 -12.578 1.00 0.00 N ATOM 365 CA LYS A 24 -8.299 -20.589 -12.912 1.00 0.00 C ATOM 366 C LYS A 24 -8.193 -21.552 -14.104 1.00 0.00 C ATOM 367 O LYS A 24 -9.042 -22.397 -14.303 1.00 0.00 O ATOM 368 CB LYS A 24 -9.226 -19.416 -13.238 1.00 0.00 C ATOM 369 CG LYS A 24 -9.130 -19.068 -14.722 1.00 0.00 C ATOM 370 CD LYS A 24 -10.052 -17.887 -15.037 1.00 0.00 C ATOM 371 CE LYS A 24 -10.169 -17.721 -16.553 1.00 0.00 C ATOM 372 NZ LYS A 24 -9.105 -16.796 -17.034 1.00 0.00 N ATOM 0 H LYS A 24 -6.870 -19.032 -12.690 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.701 -21.152 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.254 -19.673 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.955 -18.549 -12.635 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.101 -18.817 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.409 -19.931 -15.326 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.037 -18.055 -14.602 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.657 -16.975 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.073 -18.689 -17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.152 -17.328 -16.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.184 -16.682 -18.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.216 -15.870 -16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.171 -17.189 -16.799 1.00 0.00 H new ATOM 386 N ARG A 25 -7.164 -21.428 -14.901 1.00 0.00 N ATOM 387 CA ARG A 25 -7.025 -22.335 -16.077 1.00 0.00 C ATOM 388 C ARG A 25 -6.712 -23.758 -15.603 1.00 0.00 C ATOM 389 O ARG A 25 -7.089 -24.726 -16.232 1.00 0.00 O ATOM 390 CB ARG A 25 -5.897 -21.832 -16.987 1.00 0.00 C ATOM 391 CG ARG A 25 -4.538 -22.175 -16.373 1.00 0.00 C ATOM 392 CD ARG A 25 -4.002 -23.450 -16.999 1.00 0.00 C ATOM 393 NE ARG A 25 -2.650 -23.199 -17.575 1.00 0.00 N ATOM 394 CZ ARG A 25 -2.089 -24.093 -18.343 1.00 0.00 C ATOM 395 NH1 ARG A 25 -1.418 -25.079 -17.816 1.00 0.00 N ATOM 396 NH2 ARG A 25 -2.200 -24.001 -19.641 1.00 0.00 N ATOM 0 H ARG A 25 -6.418 -20.742 -14.789 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.961 -22.343 -16.635 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.985 -22.286 -17.974 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.982 -20.754 -17.124 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.837 -21.356 -16.536 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.636 -22.301 -15.295 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.947 -24.239 -16.249 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.681 -23.797 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.163 -22.327 -17.369 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.331 -25.152 -16.802 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.980 -25.777 -18.417 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.725 -23.231 -20.055 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.762 -24.700 -20.241 1.00 0.00 H new ATOM 410 N GLU A 26 -6.019 -23.893 -14.506 1.00 0.00 N ATOM 411 CA GLU A 26 -5.679 -25.250 -14.004 1.00 0.00 C ATOM 412 C GLU A 26 -6.571 -25.600 -12.811 1.00 0.00 C ATOM 413 O GLU A 26 -6.195 -26.373 -11.952 1.00 0.00 O ATOM 414 CB GLU A 26 -4.211 -25.268 -13.576 1.00 0.00 C ATOM 415 CG GLU A 26 -4.051 -24.536 -12.240 1.00 0.00 C ATOM 416 CD GLU A 26 -2.577 -24.190 -12.021 1.00 0.00 C ATOM 417 OE1 GLU A 26 -1.992 -23.587 -12.906 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.057 -24.537 -10.972 1.00 0.00 O ATOM 0 H GLU A 26 -5.674 -23.120 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.841 -25.985 -14.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.863 -26.297 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.595 -24.792 -14.338 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.653 -23.627 -12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.414 -25.162 -11.425 1.00 0.00 H new ATOM 425 N ASN A 27 -7.745 -25.038 -12.745 1.00 0.00 N ATOM 426 CA ASN A 27 -8.644 -25.345 -11.601 1.00 0.00 C ATOM 427 C ASN A 27 -10.063 -25.610 -12.110 1.00 0.00 C ATOM 428 O ASN A 27 -10.467 -25.083 -13.127 1.00 0.00 O ATOM 429 CB ASN A 27 -8.650 -24.163 -10.632 1.00 0.00 C ATOM 430 CG ASN A 27 -7.208 -23.833 -10.245 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.341 -24.681 -10.311 1.00 0.00 O ATOM 432 ND2 ASN A 27 -6.910 -22.631 -9.846 1.00 0.00 N ATOM 0 H ASN A 27 -8.119 -24.382 -13.431 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.284 -26.235 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.123 -23.298 -11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.232 -24.407 -9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.950 -22.402 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.637 -21.917 -9.790 1.00 0.00 H new ATOM 439 N PRO A 28 -10.769 -26.432 -11.379 1.00 0.00 N ATOM 440 CA PRO A 28 -12.149 -26.816 -11.710 1.00 0.00 C ATOM 441 C PRO A 28 -13.128 -25.699 -11.356 1.00 0.00 C ATOM 442 O PRO A 28 -13.878 -25.807 -10.406 1.00 0.00 O ATOM 443 CB PRO A 28 -12.403 -28.040 -10.847 1.00 0.00 C ATOM 444 CG PRO A 28 -11.398 -27.970 -9.692 1.00 0.00 C ATOM 445 CD PRO A 28 -10.254 -27.054 -10.148 1.00 0.00 C ATOM 0 HA PRO A 28 -12.284 -27.010 -12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.426 -28.045 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.270 -28.956 -11.423 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.871 -27.577 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.022 -28.963 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.015 -26.306 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.341 -27.619 -10.337 1.00 0.00 H new ATOM 453 N GLY A 29 -13.125 -24.623 -12.098 1.00 0.00 N ATOM 454 CA GLY A 29 -14.055 -23.506 -11.774 1.00 0.00 C ATOM 455 C GLY A 29 -13.997 -23.268 -10.269 1.00 0.00 C ATOM 456 O GLY A 29 -14.948 -22.831 -9.653 1.00 0.00 O ATOM 0 H GLY A 29 -12.523 -24.471 -12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.770 -22.603 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.071 -23.754 -12.082 1.00 0.00 H new ATOM 460 N ILE A 30 -12.874 -23.575 -9.678 1.00 0.00 N ATOM 461 CA ILE A 30 -12.713 -23.401 -8.218 1.00 0.00 C ATOM 462 C ILE A 30 -13.370 -22.097 -7.765 1.00 0.00 C ATOM 463 O ILE A 30 -13.489 -21.152 -8.521 1.00 0.00 O ATOM 464 CB ILE A 30 -11.228 -23.380 -7.907 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.013 -23.270 -6.397 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.616 -22.184 -8.603 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.546 -23.555 -6.075 1.00 0.00 C ATOM 0 H ILE A 30 -12.053 -23.944 -10.158 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.195 -24.221 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.758 -24.299 -8.256 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.287 -22.273 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.656 -23.977 -5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.547 -22.149 -8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.772 -22.270 -9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.087 -21.271 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.388 -23.478 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.289 -24.561 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.914 -22.830 -6.588 1.00 0.00 H new ATOM 479 N LYS A 31 -13.805 -22.041 -6.538 1.00 0.00 N ATOM 480 CA LYS A 31 -14.461 -20.807 -6.030 1.00 0.00 C ATOM 481 C LYS A 31 -13.424 -19.694 -5.878 1.00 0.00 C ATOM 482 O LYS A 31 -12.260 -19.946 -5.639 1.00 0.00 O ATOM 483 CB LYS A 31 -15.095 -21.102 -4.675 1.00 0.00 C ATOM 484 CG LYS A 31 -15.801 -22.459 -4.723 1.00 0.00 C ATOM 485 CD LYS A 31 -16.685 -22.532 -5.971 1.00 0.00 C ATOM 486 CE LYS A 31 -17.850 -23.491 -5.717 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.644 -24.742 -6.500 1.00 0.00 N ATOM 0 H LYS A 31 -13.734 -22.802 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.228 -20.485 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.331 -21.106 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.808 -20.319 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.065 -23.263 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.406 -22.598 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.064 -21.541 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.099 -22.873 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.920 -23.722 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.791 -23.021 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.436 -25.394 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.598 -24.514 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.754 -25.193 -6.206 1.00 0.00 H new ATOM 501 N VAL A 32 -13.838 -18.462 -6.010 1.00 0.00 N ATOM 502 CA VAL A 32 -12.884 -17.341 -5.867 1.00 0.00 C ATOM 503 C VAL A 32 -12.440 -17.254 -4.405 1.00 0.00 C ATOM 504 O VAL A 32 -11.365 -16.777 -4.100 1.00 0.00 O ATOM 505 CB VAL A 32 -13.565 -16.043 -6.307 1.00 0.00 C ATOM 506 CG1 VAL A 32 -15.023 -16.080 -5.893 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.897 -14.857 -5.637 1.00 0.00 C ATOM 0 H VAL A 32 -14.800 -18.190 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.007 -17.502 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.482 -15.945 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.513 -15.157 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.514 -16.930 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.091 -16.180 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.387 -13.936 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.979 -14.957 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.845 -14.824 -5.920 1.00 0.00 H new ATOM 517 N THR A 33 -13.260 -17.716 -3.502 1.00 0.00 N ATOM 518 CA THR A 33 -12.887 -17.669 -2.062 1.00 0.00 C ATOM 519 C THR A 33 -11.794 -18.706 -1.794 1.00 0.00 C ATOM 520 O THR A 33 -11.129 -18.676 -0.778 1.00 0.00 O ATOM 521 CB THR A 33 -14.116 -17.987 -1.206 1.00 0.00 C ATOM 522 OG1 THR A 33 -14.766 -19.140 -1.725 1.00 0.00 O ATOM 523 CG2 THR A 33 -15.082 -16.800 -1.232 1.00 0.00 C ATOM 0 H THR A 33 -14.173 -18.124 -3.700 1.00 0.00 H new ATOM 0 HA THR A 33 -12.519 -16.675 -1.809 1.00 0.00 H new ATOM 0 HB THR A 33 -13.804 -18.175 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.552 -19.347 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.956 -17.029 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.583 -15.916 -0.834 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.396 -16.609 -2.258 1.00 0.00 H new ATOM 531 N GLU A 34 -11.604 -19.622 -2.705 1.00 0.00 N ATOM 532 CA GLU A 34 -10.556 -20.662 -2.517 1.00 0.00 C ATOM 533 C GLU A 34 -9.456 -20.466 -3.563 1.00 0.00 C ATOM 534 O GLU A 34 -8.406 -21.073 -3.496 1.00 0.00 O ATOM 535 CB GLU A 34 -11.177 -22.050 -2.690 1.00 0.00 C ATOM 536 CG GLU A 34 -12.315 -22.232 -1.685 1.00 0.00 C ATOM 537 CD GLU A 34 -12.704 -23.711 -1.619 1.00 0.00 C ATOM 538 OE1 GLU A 34 -11.893 -24.496 -1.156 1.00 0.00 O ATOM 539 OE2 GLU A 34 -13.805 -24.032 -2.033 1.00 0.00 O ATOM 0 H GLU A 34 -12.133 -19.694 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.132 -20.575 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.554 -22.167 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.420 -22.820 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.005 -21.882 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.175 -21.631 -1.980 1.00 0.00 H new ATOM 546 N VAL A 35 -9.691 -19.624 -4.532 1.00 0.00 N ATOM 547 CA VAL A 35 -8.664 -19.390 -5.585 1.00 0.00 C ATOM 548 C VAL A 35 -7.472 -18.643 -4.984 1.00 0.00 C ATOM 549 O VAL A 35 -6.330 -18.951 -5.262 1.00 0.00 O ATOM 550 CB VAL A 35 -9.280 -18.561 -6.711 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.175 -17.988 -7.601 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.199 -19.449 -7.552 1.00 0.00 C ATOM 0 H VAL A 35 -10.552 -19.087 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.321 -20.346 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.854 -17.741 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.622 -17.398 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.520 -17.353 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.595 -18.804 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.639 -18.859 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.622 -20.269 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.992 -19.852 -6.922 1.00 0.00 H new ATOM 562 N ALA A 36 -7.729 -17.663 -4.165 1.00 0.00 N ATOM 563 CA ALA A 36 -6.613 -16.893 -3.548 1.00 0.00 C ATOM 564 C ALA A 36 -6.047 -17.674 -2.360 1.00 0.00 C ATOM 565 O ALA A 36 -4.874 -17.589 -2.051 1.00 0.00 O ATOM 566 CB ALA A 36 -7.135 -15.537 -3.065 1.00 0.00 C ATOM 0 H ALA A 36 -8.665 -17.361 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.827 -16.738 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.319 -14.973 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.537 -14.979 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.921 -15.692 -2.326 1.00 0.00 H new ATOM 572 N LYS A 37 -6.869 -18.433 -1.693 1.00 0.00 N ATOM 573 CA LYS A 37 -6.385 -19.217 -0.527 1.00 0.00 C ATOM 574 C LYS A 37 -5.260 -20.158 -0.972 1.00 0.00 C ATOM 575 O LYS A 37 -4.209 -20.220 -0.365 1.00 0.00 O ATOM 576 CB LYS A 37 -7.559 -20.007 0.043 1.00 0.00 C ATOM 577 CG LYS A 37 -7.070 -21.272 0.760 1.00 0.00 C ATOM 578 CD LYS A 37 -6.109 -20.879 1.884 1.00 0.00 C ATOM 579 CE LYS A 37 -6.855 -20.048 2.928 1.00 0.00 C ATOM 580 NZ LYS A 37 -6.299 -20.335 4.282 1.00 0.00 N ATOM 0 H LYS A 37 -7.860 -18.544 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.989 -18.554 0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.119 -19.383 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.243 -20.281 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.918 -21.823 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.569 -21.934 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.690 -21.772 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.273 -20.308 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.758 -18.986 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.919 -20.283 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.806 -19.770 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.414 -21.346 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.289 -20.090 4.302 1.00 0.00 H new ATOM 594 N ARG A 38 -5.477 -20.891 -2.026 1.00 0.00 N ATOM 595 CA ARG A 38 -4.429 -21.832 -2.514 1.00 0.00 C ATOM 596 C ARG A 38 -3.298 -21.044 -3.182 1.00 0.00 C ATOM 597 O ARG A 38 -2.181 -21.509 -3.280 1.00 0.00 O ATOM 598 CB ARG A 38 -5.053 -22.789 -3.533 1.00 0.00 C ATOM 599 CG ARG A 38 -5.192 -24.181 -2.912 1.00 0.00 C ATOM 600 CD ARG A 38 -6.372 -24.189 -1.937 1.00 0.00 C ATOM 601 NE ARG A 38 -6.397 -25.482 -1.196 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.494 -26.187 -1.149 1.00 0.00 C ATOM 603 NH1 ARG A 38 -8.428 -25.886 -0.289 1.00 0.00 N ATOM 604 NH2 ARG A 38 -7.655 -27.195 -1.962 1.00 0.00 N ATOM 0 H ARG A 38 -6.337 -20.880 -2.574 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.025 -22.397 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.030 -22.419 -3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.432 -22.839 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.347 -24.926 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.274 -24.452 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.284 -23.358 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.307 -24.051 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.556 -25.816 -0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.301 -25.099 0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.285 -26.438 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.924 -27.431 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.512 -27.747 -1.926 1.00 0.00 H new ATOM 618 N GLY A 39 -3.578 -19.857 -3.643 1.00 0.00 N ATOM 619 CA GLY A 39 -2.516 -19.046 -4.305 1.00 0.00 C ATOM 620 C GLY A 39 -1.241 -19.071 -3.460 1.00 0.00 C ATOM 621 O GLY A 39 -0.143 -18.992 -3.973 1.00 0.00 O ATOM 0 H GLY A 39 -4.495 -19.413 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.311 -19.441 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.857 -18.019 -4.434 1.00 0.00 H new ATOM 625 N GLY A 40 -1.374 -19.175 -2.166 1.00 0.00 N ATOM 626 CA GLY A 40 -0.165 -19.199 -1.292 1.00 0.00 C ATOM 627 C GLY A 40 0.620 -20.492 -1.522 1.00 0.00 C ATOM 628 O GLY A 40 1.807 -20.471 -1.778 1.00 0.00 O ATOM 0 H GLY A 40 -2.266 -19.244 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.467 -18.337 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.461 -19.124 -0.246 1.00 0.00 H new ATOM 632 N GLU A 41 -0.032 -21.618 -1.425 1.00 0.00 N ATOM 633 CA GLU A 41 0.679 -22.913 -1.630 1.00 0.00 C ATOM 634 C GLU A 41 1.554 -22.838 -2.887 1.00 0.00 C ATOM 635 O GLU A 41 2.704 -23.228 -2.879 1.00 0.00 O ATOM 636 CB GLU A 41 -0.352 -24.042 -1.759 1.00 0.00 C ATOM 637 CG GLU A 41 -0.759 -24.244 -3.225 1.00 0.00 C ATOM 638 CD GLU A 41 -1.756 -25.397 -3.327 1.00 0.00 C ATOM 639 OE1 GLU A 41 -1.642 -26.324 -2.542 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.618 -25.334 -4.188 1.00 0.00 O ATOM 0 H GLU A 41 -1.026 -21.698 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 41 1.324 -23.115 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.064 -24.968 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.233 -23.806 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.204 -23.330 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.122 -24.457 -3.831 1.00 0.00 H new ATOM 647 N LEU A 42 1.012 -22.349 -3.969 1.00 0.00 N ATOM 648 CA LEU A 42 1.800 -22.259 -5.231 1.00 0.00 C ATOM 649 C LEU A 42 2.951 -21.264 -5.064 1.00 0.00 C ATOM 650 O LEU A 42 4.077 -21.543 -5.413 1.00 0.00 O ATOM 651 CB LEU A 42 0.886 -21.783 -6.360 1.00 0.00 C ATOM 652 CG LEU A 42 0.305 -22.988 -7.098 1.00 0.00 C ATOM 653 CD1 LEU A 42 -0.666 -22.500 -8.174 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.439 -23.781 -7.756 1.00 0.00 C ATOM 0 H LEU A 42 0.053 -22.007 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 42 2.208 -23.241 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.081 -21.170 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.446 -21.155 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.222 -23.629 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.083 -23.357 -8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.472 -21.934 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.136 -21.861 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.024 -24.641 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.967 -23.142 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.134 -24.125 -6.990 1.00 0.00 H new ATOM 666 N TRP A 43 2.674 -20.100 -4.548 1.00 0.00 N ATOM 667 CA TRP A 43 3.751 -19.082 -4.378 1.00 0.00 C ATOM 668 C TRP A 43 5.017 -19.736 -3.806 1.00 0.00 C ATOM 669 O TRP A 43 6.073 -19.689 -4.405 1.00 0.00 O ATOM 670 CB TRP A 43 3.260 -17.987 -3.427 1.00 0.00 C ATOM 671 CG TRP A 43 4.413 -17.138 -2.994 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.958 -17.146 -1.758 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.166 -16.162 -3.768 1.00 0.00 C ATOM 674 NE1 TRP A 43 6.002 -16.239 -1.723 1.00 0.00 N ATOM 675 CE2 TRP A 43 6.169 -15.605 -2.938 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.080 -15.708 -5.096 1.00 0.00 C ATOM 677 CZ2 TRP A 43 7.054 -14.634 -3.410 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.968 -14.731 -5.574 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.953 -14.196 -4.732 1.00 0.00 C ATOM 0 H TRP A 43 1.748 -19.808 -4.236 1.00 0.00 H new ATOM 0 HA TRP A 43 3.992 -18.648 -5.349 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.509 -17.372 -3.923 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.780 -18.436 -2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.632 -17.760 -0.932 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.578 -16.061 -0.900 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.325 -16.114 -5.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.811 -14.225 -2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.892 -14.390 -6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.634 -13.445 -5.106 1.00 0.00 H new ATOM 690 N ARG A 44 4.925 -20.328 -2.647 1.00 0.00 N ATOM 691 CA ARG A 44 6.130 -20.962 -2.032 1.00 0.00 C ATOM 692 C ARG A 44 6.616 -22.137 -2.888 1.00 0.00 C ATOM 693 O ARG A 44 7.773 -22.506 -2.845 1.00 0.00 O ATOM 694 CB ARG A 44 5.773 -21.473 -0.635 1.00 0.00 C ATOM 695 CG ARG A 44 7.042 -21.570 0.213 1.00 0.00 C ATOM 696 CD ARG A 44 6.672 -21.988 1.637 1.00 0.00 C ATOM 697 NE ARG A 44 6.884 -20.840 2.563 1.00 0.00 N ATOM 698 CZ ARG A 44 7.168 -21.058 3.817 1.00 0.00 C ATOM 699 NH1 ARG A 44 6.579 -22.028 4.460 1.00 0.00 N ATOM 700 NH2 ARG A 44 8.042 -20.305 4.427 1.00 0.00 N ATOM 0 H ARG A 44 4.069 -20.401 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 44 6.925 -20.219 -1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.058 -20.800 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.294 -22.450 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.729 -22.295 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.558 -20.610 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.632 -22.311 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.281 -22.837 1.948 1.00 0.00 H new ATOM 0 HE ARG A 44 6.807 -19.884 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.896 -22.616 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.801 -22.199 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.502 -19.547 3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.265 -20.474 5.408 1.00 0.00 H new ATOM 714 N ALA A 45 5.746 -22.737 -3.650 1.00 0.00 N ATOM 715 CA ALA A 45 6.162 -23.897 -4.489 1.00 0.00 C ATOM 716 C ALA A 45 6.217 -23.489 -5.962 1.00 0.00 C ATOM 717 O ALA A 45 6.241 -24.321 -6.847 1.00 0.00 O ATOM 718 CB ALA A 45 5.140 -25.014 -4.323 1.00 0.00 C ATOM 0 H ALA A 45 4.763 -22.475 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 45 7.150 -24.234 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.433 -25.869 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.095 -25.313 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.160 -24.660 -4.642 1.00 0.00 H new ATOM 724 N MET A 46 6.231 -22.217 -6.232 1.00 0.00 N ATOM 725 CA MET A 46 6.275 -21.752 -7.643 1.00 0.00 C ATOM 726 C MET A 46 7.681 -21.984 -8.207 1.00 0.00 C ATOM 727 O MET A 46 8.076 -23.104 -8.467 1.00 0.00 O ATOM 728 CB MET A 46 5.922 -20.259 -7.684 1.00 0.00 C ATOM 729 CG MET A 46 5.962 -19.751 -9.127 1.00 0.00 C ATOM 730 SD MET A 46 6.818 -18.154 -9.193 1.00 0.00 S ATOM 731 CE MET A 46 6.167 -17.463 -7.650 1.00 0.00 C ATOM 0 H MET A 46 6.214 -21.475 -5.532 1.00 0.00 H new ATOM 0 HA MET A 46 5.558 -22.307 -8.248 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.930 -20.100 -7.261 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.624 -19.694 -7.071 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.473 -20.474 -9.763 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.948 -19.647 -9.514 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.974 -16.398 -7.781 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.239 -17.970 -7.387 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.896 -17.604 -6.852 1.00 0.00 H new ATOM 741 N LYS A 47 8.435 -20.941 -8.404 1.00 0.00 N ATOM 742 CA LYS A 47 9.800 -21.088 -8.951 1.00 0.00 C ATOM 743 C LYS A 47 10.800 -20.496 -7.959 1.00 0.00 C ATOM 744 O LYS A 47 11.619 -21.188 -7.389 1.00 0.00 O ATOM 745 CB LYS A 47 9.858 -20.306 -10.252 1.00 0.00 C ATOM 746 CG LYS A 47 9.772 -21.266 -11.439 1.00 0.00 C ATOM 747 CD LYS A 47 11.158 -21.846 -11.729 1.00 0.00 C ATOM 748 CE LYS A 47 11.133 -22.580 -13.070 1.00 0.00 C ATOM 749 NZ LYS A 47 11.396 -24.029 -12.847 1.00 0.00 N ATOM 0 H LYS A 47 8.154 -19.981 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 47 10.042 -22.137 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.038 -19.589 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.784 -19.734 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.069 -22.069 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.394 -20.742 -12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.900 -21.048 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.451 -22.530 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.165 -22.445 -13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.884 -22.162 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.379 -24.529 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.329 -24.148 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.663 -24.423 -12.223 1.00 0.00 H new ATOM 763 N ASP A 48 10.723 -19.211 -7.752 1.00 0.00 N ATOM 764 CA ASP A 48 11.648 -18.540 -6.799 1.00 0.00 C ATOM 765 C ASP A 48 11.026 -17.206 -6.378 1.00 0.00 C ATOM 766 O ASP A 48 9.839 -16.995 -6.529 1.00 0.00 O ATOM 767 CB ASP A 48 12.997 -18.296 -7.479 1.00 0.00 C ATOM 768 CG ASP A 48 13.661 -19.638 -7.792 1.00 0.00 C ATOM 769 OD1 ASP A 48 13.825 -20.425 -6.874 1.00 0.00 O ATOM 770 OD2 ASP A 48 13.995 -19.857 -8.945 1.00 0.00 O ATOM 0 H ASP A 48 10.052 -18.592 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 48 11.807 -19.168 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.856 -17.725 -8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.641 -17.702 -6.830 1.00 0.00 H new ATOM 775 N LYS A 49 11.806 -16.306 -5.849 1.00 0.00 N ATOM 776 CA LYS A 49 11.235 -14.996 -5.423 1.00 0.00 C ATOM 777 C LYS A 49 12.046 -13.844 -6.024 1.00 0.00 C ATOM 778 O LYS A 49 11.623 -12.706 -6.009 1.00 0.00 O ATOM 779 CB LYS A 49 11.271 -14.907 -3.896 1.00 0.00 C ATOM 780 CG LYS A 49 10.514 -16.098 -3.304 1.00 0.00 C ATOM 781 CD LYS A 49 10.290 -15.870 -1.810 1.00 0.00 C ATOM 782 CE LYS A 49 11.641 -15.768 -1.100 1.00 0.00 C ATOM 783 NZ LYS A 49 11.676 -16.729 0.038 1.00 0.00 N ATOM 0 H LYS A 49 12.808 -16.418 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 49 10.206 -14.921 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.303 -14.905 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.819 -13.972 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.557 -16.222 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.080 -17.016 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.715 -14.957 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.708 -16.690 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.449 -15.985 -1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.798 -14.752 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.594 -16.661 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.914 -16.502 0.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.545 -17.696 -0.320 1.00 0.00 H new ATOM 797 N SER A 50 13.205 -14.125 -6.552 1.00 0.00 N ATOM 798 CA SER A 50 14.034 -13.040 -7.148 1.00 0.00 C ATOM 799 C SER A 50 13.297 -12.427 -8.342 1.00 0.00 C ATOM 800 O SER A 50 13.527 -11.291 -8.710 1.00 0.00 O ATOM 801 CB SER A 50 15.365 -13.622 -7.619 1.00 0.00 C ATOM 802 OG SER A 50 15.216 -14.130 -8.938 1.00 0.00 O ATOM 0 H SER A 50 13.614 -15.058 -6.597 1.00 0.00 H new ATOM 0 HA SER A 50 14.215 -12.269 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.138 -12.854 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.686 -14.416 -6.945 1.00 0.00 H new ATOM 0 HG SER A 50 16.069 -14.503 -9.243 1.00 0.00 H new ATOM 808 N GLU A 51 12.411 -13.169 -8.949 1.00 0.00 N ATOM 809 CA GLU A 51 11.660 -12.641 -10.113 1.00 0.00 C ATOM 810 C GLU A 51 10.782 -11.473 -9.681 1.00 0.00 C ATOM 811 O GLU A 51 11.008 -10.336 -10.050 1.00 0.00 O ATOM 812 CB GLU A 51 10.787 -13.738 -10.671 1.00 0.00 C ATOM 813 CG GLU A 51 11.544 -15.066 -10.646 1.00 0.00 C ATOM 814 CD GLU A 51 11.132 -15.911 -11.853 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.011 -16.391 -11.860 1.00 0.00 O ATOM 816 OE2 GLU A 51 11.944 -16.061 -12.750 1.00 0.00 O ATOM 0 H GLU A 51 12.177 -14.125 -8.683 1.00 0.00 H new ATOM 0 HA GLU A 51 12.363 -12.297 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.871 -13.820 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.492 -13.496 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.619 -14.885 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.328 -15.603 -9.722 1.00 0.00 H new ATOM 823 N TRP A 52 9.777 -11.750 -8.904 1.00 0.00 N ATOM 824 CA TRP A 52 8.869 -10.670 -8.443 1.00 0.00 C ATOM 825 C TRP A 52 9.620 -9.727 -7.522 1.00 0.00 C ATOM 826 O TRP A 52 9.657 -8.544 -7.748 1.00 0.00 O ATOM 827 CB TRP A 52 7.716 -11.291 -7.675 1.00 0.00 C ATOM 828 CG TRP A 52 7.163 -12.406 -8.461 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.421 -13.687 -8.221 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.270 -12.362 -9.598 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.737 -14.462 -9.137 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.007 -13.683 -10.013 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.668 -11.312 -10.297 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.168 -13.955 -11.094 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.826 -11.572 -11.378 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.572 -12.894 -11.779 1.00 0.00 C ATOM 0 H TRP A 52 9.544 -12.684 -8.567 1.00 0.00 H new ATOM 0 HA TRP A 52 8.496 -10.117 -9.305 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.059 -11.648 -6.704 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.944 -10.545 -7.485 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.062 -14.062 -7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.767 -15.481 -9.163 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.856 -10.292 -9.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.982 -14.975 -11.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.367 -10.752 -11.910 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.917 -13.089 -12.615 1.00 0.00 H new ATOM 847 N GLU A 53 10.201 -10.245 -6.477 1.00 0.00 N ATOM 848 CA GLU A 53 10.944 -9.366 -5.520 1.00 0.00 C ATOM 849 C GLU A 53 11.679 -8.256 -6.279 1.00 0.00 C ATOM 850 O GLU A 53 11.583 -7.094 -5.936 1.00 0.00 O ATOM 851 CB GLU A 53 11.954 -10.201 -4.729 1.00 0.00 C ATOM 852 CG GLU A 53 11.225 -10.989 -3.640 1.00 0.00 C ATOM 853 CD GLU A 53 11.651 -10.471 -2.265 1.00 0.00 C ATOM 854 OE1 GLU A 53 11.488 -9.287 -2.023 1.00 0.00 O ATOM 855 OE2 GLU A 53 12.134 -11.269 -1.478 1.00 0.00 O ATOM 0 H GLU A 53 10.196 -11.237 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 53 10.229 -8.912 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.479 -10.884 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.706 -9.552 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.147 -10.886 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.456 -12.051 -3.728 1.00 0.00 H new ATOM 862 N ALA A 54 12.406 -8.593 -7.308 1.00 0.00 N ATOM 863 CA ALA A 54 13.129 -7.539 -8.077 1.00 0.00 C ATOM 864 C ALA A 54 12.108 -6.613 -8.741 1.00 0.00 C ATOM 865 O ALA A 54 12.261 -5.408 -8.757 1.00 0.00 O ATOM 866 CB ALA A 54 13.999 -8.191 -9.152 1.00 0.00 C ATOM 0 H ALA A 54 12.531 -9.546 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 54 13.763 -6.965 -7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.526 -7.418 -9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.723 -8.855 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.369 -8.765 -9.831 1.00 0.00 H new ATOM 872 N LYS A 55 11.073 -7.176 -9.296 1.00 0.00 N ATOM 873 CA LYS A 55 10.033 -6.348 -9.974 1.00 0.00 C ATOM 874 C LYS A 55 9.425 -5.339 -8.995 1.00 0.00 C ATOM 875 O LYS A 55 9.146 -4.211 -9.351 1.00 0.00 O ATOM 876 CB LYS A 55 8.928 -7.261 -10.504 1.00 0.00 C ATOM 877 CG LYS A 55 8.024 -6.467 -11.448 1.00 0.00 C ATOM 878 CD LYS A 55 8.268 -6.921 -12.887 1.00 0.00 C ATOM 879 CE LYS A 55 7.300 -8.052 -13.235 1.00 0.00 C ATOM 880 NZ LYS A 55 5.899 -7.590 -13.027 1.00 0.00 N ATOM 0 H LYS A 55 10.900 -8.181 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 55 10.499 -5.805 -10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.364 -8.111 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.344 -7.663 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.978 -6.618 -11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.227 -5.400 -11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.129 -6.085 -13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.297 -7.260 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.442 -8.361 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.503 -8.923 -12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.279 -8.034 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.583 -7.857 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.856 -6.556 -13.129 1.00 0.00 H new ATOM 894 N ALA A 56 9.207 -5.727 -7.768 1.00 0.00 N ATOM 895 CA ALA A 56 8.611 -4.782 -6.789 1.00 0.00 C ATOM 896 C ALA A 56 9.528 -3.569 -6.662 1.00 0.00 C ATOM 897 O ALA A 56 9.084 -2.453 -6.482 1.00 0.00 O ATOM 898 CB ALA A 56 8.475 -5.468 -5.429 1.00 0.00 C ATOM 0 H ALA A 56 9.416 -6.657 -7.404 1.00 0.00 H new ATOM 0 HA ALA A 56 7.624 -4.469 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.038 -4.772 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.831 -6.342 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.459 -5.779 -5.078 1.00 0.00 H new ATOM 904 N ALA A 57 10.810 -3.785 -6.765 1.00 0.00 N ATOM 905 CA ALA A 57 11.768 -2.654 -6.666 1.00 0.00 C ATOM 906 C ALA A 57 11.294 -1.523 -7.576 1.00 0.00 C ATOM 907 O ALA A 57 11.276 -0.371 -7.197 1.00 0.00 O ATOM 908 CB ALA A 57 13.149 -3.122 -7.125 1.00 0.00 C ATOM 0 H ALA A 57 11.235 -4.700 -6.914 1.00 0.00 H new ATOM 0 HA ALA A 57 11.824 -2.304 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.856 -2.295 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.485 -3.942 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.093 -3.463 -8.159 1.00 0.00 H new ATOM 914 N LYS A 58 10.915 -1.850 -8.780 1.00 0.00 N ATOM 915 CA LYS A 58 10.446 -0.804 -9.732 1.00 0.00 C ATOM 916 C LYS A 58 9.444 0.124 -9.043 1.00 0.00 C ATOM 917 O LYS A 58 9.689 1.303 -8.889 1.00 0.00 O ATOM 918 CB LYS A 58 9.774 -1.474 -10.932 1.00 0.00 C ATOM 919 CG LYS A 58 10.499 -1.067 -12.217 1.00 0.00 C ATOM 920 CD LYS A 58 9.689 0.009 -12.942 1.00 0.00 C ATOM 921 CE LYS A 58 9.937 -0.092 -14.448 1.00 0.00 C ATOM 922 NZ LYS A 58 9.466 1.156 -15.114 1.00 0.00 N ATOM 0 H LYS A 58 10.910 -2.801 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 58 11.302 -0.218 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.797 -2.558 -10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.725 -1.181 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.495 -0.691 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.631 -1.935 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.627 -0.115 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.973 0.998 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.999 -0.243 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.412 -0.955 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.634 1.088 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.449 1.281 -14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.986 1.971 -14.731 1.00 0.00 H new ATOM 936 N ALA A 59 8.315 -0.388 -8.629 1.00 0.00 N ATOM 937 CA ALA A 59 7.316 0.494 -7.959 1.00 0.00 C ATOM 938 C ALA A 59 8.011 1.281 -6.852 1.00 0.00 C ATOM 939 O ALA A 59 7.649 2.396 -6.550 1.00 0.00 O ATOM 940 CB ALA A 59 6.194 -0.352 -7.349 1.00 0.00 C ATOM 0 H ALA A 59 8.044 -1.367 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 59 6.889 1.177 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.470 0.301 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.698 -0.921 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.614 -1.039 -6.614 1.00 0.00 H new ATOM 946 N LYS A 60 9.015 0.709 -6.252 1.00 0.00 N ATOM 947 CA LYS A 60 9.740 1.415 -5.175 1.00 0.00 C ATOM 948 C LYS A 60 10.334 2.704 -5.726 1.00 0.00 C ATOM 949 O LYS A 60 10.078 3.783 -5.235 1.00 0.00 O ATOM 950 CB LYS A 60 10.864 0.513 -4.692 1.00 0.00 C ATOM 951 CG LYS A 60 10.876 0.473 -3.162 1.00 0.00 C ATOM 952 CD LYS A 60 12.303 0.680 -2.653 1.00 0.00 C ATOM 953 CE LYS A 60 12.307 1.769 -1.578 1.00 0.00 C ATOM 954 NZ LYS A 60 13.562 1.676 -0.780 1.00 0.00 N ATOM 0 H LYS A 60 9.363 -0.225 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 60 9.062 1.653 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.732 -0.493 -5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.821 0.879 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.221 1.248 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.489 -0.483 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.693 -0.252 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.957 0.965 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.230 2.753 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.440 1.655 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.565 2.416 -0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.617 0.742 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.382 1.805 -1.406 1.00 0.00 H new ATOM 968 N ASP A 61 11.137 2.592 -6.743 1.00 0.00 N ATOM 969 CA ASP A 61 11.769 3.803 -7.336 1.00 0.00 C ATOM 970 C ASP A 61 10.690 4.792 -7.786 1.00 0.00 C ATOM 971 O ASP A 61 10.752 5.967 -7.483 1.00 0.00 O ATOM 972 CB ASP A 61 12.620 3.390 -8.540 1.00 0.00 C ATOM 973 CG ASP A 61 13.879 2.672 -8.050 1.00 0.00 C ATOM 974 OD1 ASP A 61 14.356 3.018 -6.983 1.00 0.00 O ATOM 975 OD2 ASP A 61 14.343 1.787 -8.751 1.00 0.00 O ATOM 0 H ASP A 61 11.385 1.711 -7.192 1.00 0.00 H new ATOM 0 HA ASP A 61 12.399 4.283 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.047 2.735 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.893 4.268 -9.125 1.00 0.00 H new ATOM 980 N ASP A 62 9.705 4.333 -8.509 1.00 0.00 N ATOM 981 CA ASP A 62 8.631 5.256 -8.975 1.00 0.00 C ATOM 982 C ASP A 62 7.773 5.684 -7.785 1.00 0.00 C ATOM 983 O ASP A 62 6.968 6.587 -7.879 1.00 0.00 O ATOM 984 CB ASP A 62 7.751 4.535 -9.996 1.00 0.00 C ATOM 985 CG ASP A 62 8.411 4.600 -11.374 1.00 0.00 C ATOM 986 OD1 ASP A 62 8.952 5.644 -11.701 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.364 3.606 -12.079 1.00 0.00 O ATOM 0 H ASP A 62 9.597 3.360 -8.797 1.00 0.00 H new ATOM 0 HA ASP A 62 9.083 6.135 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.607 3.496 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.764 4.996 -10.032 1.00 0.00 H new ATOM 992 N TYR A 63 7.929 5.032 -6.671 1.00 0.00 N ATOM 993 CA TYR A 63 7.119 5.381 -5.474 1.00 0.00 C ATOM 994 C TYR A 63 7.793 6.500 -4.678 1.00 0.00 C ATOM 995 O TYR A 63 7.138 7.379 -4.157 1.00 0.00 O ATOM 996 CB TYR A 63 6.972 4.132 -4.611 1.00 0.00 C ATOM 997 CG TYR A 63 6.167 4.448 -3.401 1.00 0.00 C ATOM 998 CD1 TYR A 63 6.653 5.310 -2.415 1.00 0.00 C ATOM 999 CD2 TYR A 63 4.930 3.859 -3.266 1.00 0.00 C ATOM 1000 CE1 TYR A 63 5.876 5.574 -1.285 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.152 4.110 -2.149 1.00 0.00 C ATOM 1002 CZ TYR A 63 4.620 4.967 -1.146 1.00 0.00 C ATOM 1003 OH TYR A 63 3.847 5.222 -0.032 1.00 0.00 O ATOM 0 H TYR A 63 8.588 4.266 -6.536 1.00 0.00 H new ATOM 0 HA TYR A 63 6.137 5.737 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.490 3.339 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.955 3.763 -4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.624 5.770 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.564 3.197 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.242 6.244 -0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.183 3.644 -2.051 1.00 0.00 H new ATOM 0 HH TYR A 63 3.007 4.722 -0.095 1.00 0.00 H new ATOM 1013 N ASP A 64 9.091 6.483 -4.577 1.00 0.00 N ATOM 1014 CA ASP A 64 9.785 7.553 -3.814 1.00 0.00 C ATOM 1015 C ASP A 64 9.853 8.804 -4.673 1.00 0.00 C ATOM 1016 O ASP A 64 9.805 9.918 -4.191 1.00 0.00 O ATOM 1017 CB ASP A 64 11.188 7.096 -3.480 1.00 0.00 C ATOM 1018 CG ASP A 64 11.687 7.832 -2.235 1.00 0.00 C ATOM 1019 OD1 ASP A 64 10.878 8.479 -1.590 1.00 0.00 O ATOM 1020 OD2 ASP A 64 12.868 7.736 -1.947 1.00 0.00 O ATOM 0 H ASP A 64 9.700 5.776 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 64 9.243 7.766 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.199 6.020 -3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.854 7.290 -4.321 1.00 0.00 H new ATOM 1025 N ARG A 65 9.972 8.612 -5.950 1.00 0.00 N ATOM 1026 CA ARG A 65 10.057 9.766 -6.879 1.00 0.00 C ATOM 1027 C ARG A 65 8.657 10.288 -7.205 1.00 0.00 C ATOM 1028 O ARG A 65 8.443 11.477 -7.337 1.00 0.00 O ATOM 1029 CB ARG A 65 10.737 9.317 -8.171 1.00 0.00 C ATOM 1030 CG ARG A 65 10.707 10.456 -9.190 1.00 0.00 C ATOM 1031 CD ARG A 65 9.967 9.994 -10.448 1.00 0.00 C ATOM 1032 NE ARG A 65 10.718 10.440 -11.654 1.00 0.00 N ATOM 1033 CZ ARG A 65 11.165 9.558 -12.506 1.00 0.00 C ATOM 1034 NH1 ARG A 65 10.414 9.176 -13.502 1.00 0.00 N ATOM 1035 NH2 ARG A 65 12.363 9.062 -12.361 1.00 0.00 N ATOM 0 H ARG A 65 10.015 7.696 -6.396 1.00 0.00 H new ATOM 0 HA ARG A 65 10.632 10.562 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.767 9.024 -7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.230 8.441 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.211 11.328 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.723 10.759 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.869 8.908 -10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.958 10.405 -10.462 1.00 0.00 H new ATOM 0 HE ARG A 65 10.883 11.434 -11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.478 9.567 -13.614 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.762 8.487 -14.168 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.949 9.364 -11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.714 8.373 -13.026 1.00 0.00 H new ATOM 1049 N ALA A 66 7.705 9.410 -7.355 1.00 0.00 N ATOM 1050 CA ALA A 66 6.324 9.859 -7.699 1.00 0.00 C ATOM 1051 C ALA A 66 5.664 10.542 -6.502 1.00 0.00 C ATOM 1052 O ALA A 66 4.791 11.365 -6.668 1.00 0.00 O ATOM 1053 CB ALA A 66 5.486 8.653 -8.118 1.00 0.00 C ATOM 0 H ALA A 66 7.822 8.402 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 66 6.385 10.573 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.477 8.981 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.941 8.178 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.441 7.938 -7.297 1.00 0.00 H new ATOM 1059 N VAL A 67 6.058 10.223 -5.300 1.00 0.00 N ATOM 1060 CA VAL A 67 5.423 10.890 -4.137 1.00 0.00 C ATOM 1061 C VAL A 67 5.822 12.359 -4.130 1.00 0.00 C ATOM 1062 O VAL A 67 5.040 13.214 -3.810 1.00 0.00 O ATOM 1063 CB VAL A 67 5.888 10.269 -2.848 1.00 0.00 C ATOM 1064 CG1 VAL A 67 5.466 8.807 -2.793 1.00 0.00 C ATOM 1065 CG2 VAL A 67 7.386 10.396 -2.793 1.00 0.00 C ATOM 0 H VAL A 67 6.782 9.539 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 67 4.342 10.779 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 67 5.441 10.774 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.807 8.365 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.380 8.739 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.909 8.269 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.755 9.954 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.827 9.877 -3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.663 11.450 -2.827 1.00 0.00 H new ATOM 1075 N LYS A 68 7.045 12.646 -4.475 1.00 0.00 N ATOM 1076 CA LYS A 68 7.515 14.066 -4.495 1.00 0.00 C ATOM 1077 C LYS A 68 6.669 14.857 -5.495 1.00 0.00 C ATOM 1078 O LYS A 68 6.058 15.852 -5.158 1.00 0.00 O ATOM 1079 CB LYS A 68 8.985 14.114 -4.915 1.00 0.00 C ATOM 1080 CG LYS A 68 9.639 15.372 -4.342 1.00 0.00 C ATOM 1081 CD LYS A 68 9.124 16.603 -5.091 1.00 0.00 C ATOM 1082 CE LYS A 68 8.291 17.466 -4.142 1.00 0.00 C ATOM 1083 NZ LYS A 68 8.926 18.808 -4.005 1.00 0.00 N ATOM 0 H LYS A 68 7.746 11.957 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 68 7.413 14.502 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.506 13.226 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.064 14.113 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.414 15.460 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.723 15.305 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.961 17.180 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.520 16.296 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.275 17.570 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.217 16.985 -3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.360 19.396 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.887 18.700 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.974 19.266 -4.937 1.00 0.00 H new ATOM 1097 N GLU A 69 6.606 14.406 -6.719 1.00 0.00 N ATOM 1098 CA GLU A 69 5.773 15.107 -7.735 1.00 0.00 C ATOM 1099 C GLU A 69 4.340 15.125 -7.209 1.00 0.00 C ATOM 1100 O GLU A 69 3.572 16.042 -7.419 1.00 0.00 O ATOM 1101 CB GLU A 69 5.831 14.302 -9.032 1.00 0.00 C ATOM 1102 CG GLU A 69 6.927 14.866 -9.938 1.00 0.00 C ATOM 1103 CD GLU A 69 6.363 15.095 -11.340 1.00 0.00 C ATOM 1104 OE1 GLU A 69 6.293 14.137 -12.092 1.00 0.00 O ATOM 1105 OE2 GLU A 69 6.011 16.225 -11.638 1.00 0.00 O ATOM 0 H GLU A 69 7.098 13.579 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 69 6.125 16.122 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.031 13.253 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.868 14.343 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.305 15.803 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.769 14.175 -9.982 1.00 0.00 H new ATOM 1112 N PHE A 70 4.018 14.086 -6.508 1.00 0.00 N ATOM 1113 CA PHE A 70 2.678 13.908 -5.889 1.00 0.00 C ATOM 1114 C PHE A 70 2.492 14.872 -4.717 1.00 0.00 C ATOM 1115 O PHE A 70 1.392 15.270 -4.389 1.00 0.00 O ATOM 1116 CB PHE A 70 2.653 12.500 -5.351 1.00 0.00 C ATOM 1117 CG PHE A 70 1.635 12.410 -4.281 1.00 0.00 C ATOM 1118 CD1 PHE A 70 0.316 12.233 -4.632 1.00 0.00 C ATOM 1119 CD2 PHE A 70 2.022 12.532 -2.955 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -0.662 12.167 -3.645 1.00 0.00 C ATOM 1121 CE2 PHE A 70 1.053 12.470 -1.949 1.00 0.00 C ATOM 1122 CZ PHE A 70 -0.296 12.285 -2.294 1.00 0.00 C ATOM 0 H PHE A 70 4.659 13.313 -6.328 1.00 0.00 H new ATOM 0 HA PHE A 70 1.891 14.098 -6.619 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.422 11.796 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.634 12.229 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.041 12.145 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.062 12.674 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.698 12.026 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.340 12.564 -0.912 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.050 12.234 -1.522 1.00 0.00 H new ATOM 1132 N GLU A 71 3.557 15.216 -4.066 1.00 0.00 N ATOM 1133 CA GLU A 71 3.451 16.114 -2.893 1.00 0.00 C ATOM 1134 C GLU A 71 3.650 17.547 -3.366 1.00 0.00 C ATOM 1135 O GLU A 71 3.453 18.501 -2.639 1.00 0.00 O ATOM 1136 CB GLU A 71 4.536 15.753 -1.873 1.00 0.00 C ATOM 1137 CG GLU A 71 4.275 14.345 -1.326 1.00 0.00 C ATOM 1138 CD GLU A 71 4.521 14.325 0.185 1.00 0.00 C ATOM 1139 OE1 GLU A 71 4.124 15.273 0.842 1.00 0.00 O ATOM 1140 OE2 GLU A 71 5.102 13.361 0.658 1.00 0.00 O ATOM 0 H GLU A 71 4.503 14.913 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 71 2.473 16.007 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.519 15.796 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.539 16.477 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.249 14.045 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.928 13.626 -1.820 1.00 0.00 H new ATOM 1147 N ALA A 72 4.065 17.686 -4.589 1.00 0.00 N ATOM 1148 CA ALA A 72 4.322 19.020 -5.169 1.00 0.00 C ATOM 1149 C ALA A 72 3.043 19.569 -5.806 1.00 0.00 C ATOM 1150 O ALA A 72 3.046 20.034 -6.928 1.00 0.00 O ATOM 1151 CB ALA A 72 5.398 18.838 -6.230 1.00 0.00 C ATOM 0 H ALA A 72 4.240 16.908 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 72 4.644 19.726 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.623 19.801 -6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.300 18.437 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.043 18.146 -6.994 1.00 0.00 H new ATOM 1157 N ASN A 73 1.946 19.518 -5.100 1.00 0.00 N ATOM 1158 CA ASN A 73 0.670 20.036 -5.667 1.00 0.00 C ATOM 1159 C ASN A 73 -0.118 20.762 -4.575 1.00 0.00 C ATOM 1160 O ASN A 73 -1.018 20.208 -3.973 1.00 0.00 O ATOM 1161 CB ASN A 73 -0.160 18.868 -6.203 1.00 0.00 C ATOM 1162 CG ASN A 73 -1.218 19.388 -7.166 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -1.011 20.373 -7.847 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -2.353 18.760 -7.252 1.00 0.00 N ATOM 0 H ASN A 73 1.879 19.140 -4.155 1.00 0.00 H new ATOM 0 HA ASN A 73 0.889 20.730 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.487 18.153 -6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.635 18.338 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.073 19.094 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.523 17.934 -6.679 1.00 0.00 H new ATOM 1171 N GLY A 74 0.211 21.996 -4.312 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.519 22.754 -3.259 1.00 0.00 C ATOM 1173 C GLY A 74 -0.597 24.231 -3.651 1.00 0.00 C ATOM 1174 O GLY A 74 -1.678 24.674 -4.003 1.00 0.00 O ATOM 1175 OXT GLY A 74 0.426 24.894 -3.595 1.00 0.00 O ATOM 0 H GLY A 74 0.955 22.512 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.522 22.347 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.010 22.648 -2.301 1.00 0.00 H new TER 1179 GLY A 74