USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -1.95 K(o=-1.9,f=-4.1!) USER MOD Set 1.2: A 84 GLN : amide:sc=-0.00193 K(o=-1.9,f=-2.5) USER MOD Set 1.3: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 GLN : amide:sc= -2.15! C(o=-3.4!,f=-8.4!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 137:sc= -1.25 (180deg=-1.79) USER MOD Set 3.1: A 26 CYS SG : rot -117:sc= -3.69! USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.349 K(o=-3.6,f=-4.2) USER MOD Set 3.3: A 53 TYR OH : rot -124:sc= 0.395 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -1.19 (180deg=-3.18!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.399 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 149:sc= -0.995 USER MOD Single : A 52 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.11) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.53! K(o=-1.5!,f=-2.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0669 K(o=-0.067,f=-0.66) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -3.14! C(o=-5.9!,f=-3.1!) USER MOD Single : A 78 GLN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -0.787 (180deg=-0.966) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.213 (180deg=-0.97) USER MOD Single : A 87 ASN : amide:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 90 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.214 17.678 -11.710 1.00 0.00 N ATOM 2 CA GLY A 1 27.404 18.342 -10.704 1.00 0.00 C ATOM 3 C GLY A 1 27.773 19.802 -10.533 1.00 0.00 C ATOM 4 O GLY A 1 28.358 20.186 -9.521 1.00 0.00 O ATOM 0 H1 GLY A 1 27.923 16.683 -11.789 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.084 18.150 -12.627 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.216 17.725 -11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.352 18.266 -10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.520 17.827 -9.750 1.00 0.00 H new ATOM 8 N SER A 2 27.433 20.617 -11.526 1.00 0.00 N ATOM 9 CA SER A 2 27.738 22.043 -11.483 1.00 0.00 C ATOM 10 C SER A 2 26.459 22.868 -11.370 1.00 0.00 C ATOM 11 O SER A 2 26.265 23.601 -10.401 1.00 0.00 O ATOM 12 CB SER A 2 28.517 22.457 -12.733 1.00 0.00 C ATOM 13 OG SER A 2 27.853 22.035 -13.911 1.00 0.00 O ATOM 0 H SER A 2 26.946 20.315 -12.370 1.00 0.00 H new ATOM 0 HA SER A 2 28.351 22.233 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.637 23.540 -12.748 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.517 22.025 -12.701 1.00 0.00 H new ATOM 0 HG SER A 2 28.370 22.313 -14.696 1.00 0.00 H new ATOM 19 N SER A 3 25.591 22.742 -12.369 1.00 0.00 N ATOM 20 CA SER A 3 24.333 23.479 -12.385 1.00 0.00 C ATOM 21 C SER A 3 23.730 23.554 -10.986 1.00 0.00 C ATOM 22 O SER A 3 23.461 24.639 -10.471 1.00 0.00 O ATOM 23 CB SER A 3 23.342 22.817 -13.345 1.00 0.00 C ATOM 24 OG SER A 3 23.517 23.293 -14.668 1.00 0.00 O ATOM 0 H SER A 3 25.736 22.137 -13.177 1.00 0.00 H new ATOM 0 HA SER A 3 24.538 24.493 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.477 21.736 -13.324 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.323 23.017 -13.015 1.00 0.00 H new ATOM 0 HG SER A 3 22.873 22.853 -15.262 1.00 0.00 H new ATOM 30 N GLY A 4 23.519 22.392 -10.375 1.00 0.00 N ATOM 31 CA GLY A 4 22.950 22.348 -9.041 1.00 0.00 C ATOM 32 C GLY A 4 23.093 20.984 -8.394 1.00 0.00 C ATOM 33 O GLY A 4 23.289 19.982 -9.081 1.00 0.00 O ATOM 0 H GLY A 4 23.732 21.481 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.438 23.096 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.894 22.614 -9.091 1.00 0.00 H new ATOM 37 N SER A 5 22.996 20.946 -7.069 1.00 0.00 N ATOM 38 CA SER A 5 23.122 19.696 -6.329 1.00 0.00 C ATOM 39 C SER A 5 22.127 19.646 -5.174 1.00 0.00 C ATOM 40 O SER A 5 21.618 20.677 -4.733 1.00 0.00 O ATOM 41 CB SER A 5 24.547 19.535 -5.797 1.00 0.00 C ATOM 42 OG SER A 5 25.465 19.319 -6.855 1.00 0.00 O ATOM 0 H SER A 5 22.831 21.766 -6.486 1.00 0.00 H new ATOM 0 HA SER A 5 22.902 18.875 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.833 20.427 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.586 18.697 -5.101 1.00 0.00 H new ATOM 0 HG SER A 5 26.369 19.221 -6.489 1.00 0.00 H new ATOM 48 N SER A 6 21.855 18.439 -4.687 1.00 0.00 N ATOM 49 CA SER A 6 20.918 18.253 -3.585 1.00 0.00 C ATOM 50 C SER A 6 19.582 18.924 -3.889 1.00 0.00 C ATOM 51 O SER A 6 19.011 19.609 -3.041 1.00 0.00 O ATOM 52 CB SER A 6 21.503 18.819 -2.290 1.00 0.00 C ATOM 53 OG SER A 6 22.252 17.836 -1.597 1.00 0.00 O ATOM 0 H SER A 6 22.270 17.576 -5.038 1.00 0.00 H new ATOM 0 HA SER A 6 20.748 17.183 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.141 19.673 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.698 19.184 -1.652 1.00 0.00 H new ATOM 0 HG SER A 6 22.617 18.223 -0.774 1.00 0.00 H new ATOM 59 N GLY A 7 19.088 18.721 -5.107 1.00 0.00 N ATOM 60 CA GLY A 7 17.823 19.312 -5.502 1.00 0.00 C ATOM 61 C GLY A 7 17.803 20.817 -5.319 1.00 0.00 C ATOM 62 O GLY A 7 18.775 21.500 -5.640 1.00 0.00 O ATOM 0 H GLY A 7 19.541 18.158 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.625 19.074 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.019 18.867 -4.916 1.00 0.00 H new ATOM 66 N MET A 8 16.693 21.334 -4.802 1.00 0.00 N ATOM 67 CA MET A 8 16.552 22.768 -4.577 1.00 0.00 C ATOM 68 C MET A 8 16.261 23.062 -3.109 1.00 0.00 C ATOM 69 O MET A 8 15.991 22.151 -2.326 1.00 0.00 O ATOM 70 CB MET A 8 15.434 23.335 -5.454 1.00 0.00 C ATOM 71 CG MET A 8 15.791 23.396 -6.930 1.00 0.00 C ATOM 72 SD MET A 8 17.025 24.660 -7.295 1.00 0.00 S ATOM 73 CE MET A 8 16.460 25.232 -8.895 1.00 0.00 C ATOM 0 H MET A 8 15.879 20.782 -4.531 1.00 0.00 H new ATOM 0 HA MET A 8 17.494 23.247 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.540 22.723 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.185 24.338 -5.107 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.167 22.424 -7.249 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.890 23.595 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.123 26.018 -9.255 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.465 24.401 -9.601 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.447 25.625 -8.804 1.00 0.00 H new ATOM 83 N ALA A 9 16.319 24.338 -2.743 1.00 0.00 N ATOM 84 CA ALA A 9 16.060 24.751 -1.369 1.00 0.00 C ATOM 85 C ALA A 9 14.887 23.978 -0.775 1.00 0.00 C ATOM 86 O ALA A 9 13.913 23.660 -1.457 1.00 0.00 O ATOM 87 CB ALA A 9 15.794 26.248 -1.309 1.00 0.00 C ATOM 0 H ALA A 9 16.543 25.104 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 9 16.946 24.527 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.602 26.542 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 9 16.664 26.787 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 9 14.925 26.488 -1.922 1.00 0.00 H new ATOM 93 N PRO A 10 14.980 23.668 0.527 1.00 0.00 N ATOM 94 CA PRO A 10 13.935 22.928 1.241 1.00 0.00 C ATOM 95 C PRO A 10 12.666 23.753 1.427 1.00 0.00 C ATOM 96 O PRO A 10 12.709 24.869 1.946 1.00 0.00 O ATOM 97 CB PRO A 10 14.579 22.623 2.595 1.00 0.00 C ATOM 98 CG PRO A 10 15.601 23.692 2.778 1.00 0.00 C ATOM 99 CD PRO A 10 16.113 24.015 1.402 1.00 0.00 C ATOM 0 HA PRO A 10 13.618 22.039 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.841 22.639 3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.036 21.633 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.164 24.573 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.409 23.352 3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.384 25.067 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.002 23.434 1.157 1.00 0.00 H new ATOM 107 N LYS A 11 11.537 23.197 1.002 1.00 0.00 N ATOM 108 CA LYS A 11 10.254 23.880 1.124 1.00 0.00 C ATOM 109 C LYS A 11 9.596 23.567 2.464 1.00 0.00 C ATOM 110 O LYS A 11 9.968 22.607 3.138 1.00 0.00 O ATOM 111 CB LYS A 11 9.325 23.470 -0.021 1.00 0.00 C ATOM 112 CG LYS A 11 8.328 24.548 -0.410 1.00 0.00 C ATOM 113 CD LYS A 11 7.350 24.050 -1.461 1.00 0.00 C ATOM 114 CE LYS A 11 6.385 25.146 -1.888 1.00 0.00 C ATOM 115 NZ LYS A 11 5.529 24.717 -3.029 1.00 0.00 N ATOM 0 H LYS A 11 11.484 22.275 0.570 1.00 0.00 H new ATOM 0 HA LYS A 11 10.435 24.954 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.927 23.212 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.781 22.571 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.779 24.873 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.862 25.418 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.900 23.689 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.789 23.203 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.753 25.423 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.948 26.036 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.885 25.491 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.130 24.477 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.973 23.883 -2.751 1.00 0.00 H new ATOM 129 N GLN A 12 8.617 24.383 2.842 1.00 0.00 N ATOM 130 CA GLN A 12 7.908 24.191 4.102 1.00 0.00 C ATOM 131 C GLN A 12 6.891 23.060 3.987 1.00 0.00 C ATOM 132 O GLN A 12 5.737 23.207 4.388 1.00 0.00 O ATOM 133 CB GLN A 12 7.205 25.484 4.517 1.00 0.00 C ATOM 134 CG GLN A 12 6.864 25.543 5.997 1.00 0.00 C ATOM 135 CD GLN A 12 8.094 25.475 6.882 1.00 0.00 C ATOM 136 OE1 GLN A 12 8.850 26.441 6.989 1.00 0.00 O ATOM 137 NE2 GLN A 12 8.300 24.330 7.522 1.00 0.00 N ATOM 0 H GLN A 12 8.297 25.182 2.295 1.00 0.00 H new ATOM 0 HA GLN A 12 8.639 23.922 4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.843 26.331 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.288 25.592 3.937 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.322 26.466 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.196 24.718 6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.647 23.555 7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.111 24.225 8.132 1.00 0.00 H new ATOM 146 N ASP A 13 7.328 21.932 3.437 1.00 0.00 N ATOM 147 CA ASP A 13 6.456 20.775 3.270 1.00 0.00 C ATOM 148 C ASP A 13 7.240 19.476 3.432 1.00 0.00 C ATOM 149 O ASP A 13 8.453 19.425 3.227 1.00 0.00 O ATOM 150 CB ASP A 13 5.782 20.811 1.898 1.00 0.00 C ATOM 151 CG ASP A 13 4.648 21.815 1.836 1.00 0.00 C ATOM 152 OD1 ASP A 13 4.909 23.018 2.043 1.00 0.00 O ATOM 153 OD2 ASP A 13 3.499 21.397 1.582 1.00 0.00 O ATOM 0 H ASP A 13 8.281 21.794 3.099 1.00 0.00 H new ATOM 0 HA ASP A 13 5.689 20.814 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.524 21.058 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.399 19.819 1.659 1.00 0.00 H new ATOM 158 N PRO A 14 6.533 18.401 3.809 1.00 0.00 N ATOM 159 CA PRO A 14 7.142 17.082 4.007 1.00 0.00 C ATOM 160 C PRO A 14 7.591 16.448 2.695 1.00 0.00 C ATOM 161 O PRO A 14 7.031 16.727 1.635 1.00 0.00 O ATOM 162 CB PRO A 14 6.015 16.262 4.639 1.00 0.00 C ATOM 163 CG PRO A 14 4.762 16.925 4.181 1.00 0.00 C ATOM 164 CD PRO A 14 5.084 18.389 4.071 1.00 0.00 C ATOM 0 HA PRO A 14 8.042 17.137 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.053 15.222 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.088 16.261 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.437 16.524 3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.950 16.756 4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.526 18.864 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.837 18.925 4.988 1.00 0.00 H new ATOM 172 N LYS A 15 8.606 15.594 2.773 1.00 0.00 N ATOM 173 CA LYS A 15 9.130 14.918 1.592 1.00 0.00 C ATOM 174 C LYS A 15 8.940 13.408 1.700 1.00 0.00 C ATOM 175 O LYS A 15 9.322 12.779 2.687 1.00 0.00 O ATOM 176 CB LYS A 15 10.614 15.244 1.410 1.00 0.00 C ATOM 177 CG LYS A 15 11.261 14.506 0.250 1.00 0.00 C ATOM 178 CD LYS A 15 12.511 15.219 -0.237 1.00 0.00 C ATOM 179 CE LYS A 15 12.968 14.685 -1.585 1.00 0.00 C ATOM 180 NZ LYS A 15 12.202 15.290 -2.710 1.00 0.00 N ATOM 0 H LYS A 15 9.082 15.354 3.642 1.00 0.00 H new ATOM 0 HA LYS A 15 8.576 15.275 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.725 16.317 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.147 14.998 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.516 13.493 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.548 14.419 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.314 16.288 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.310 15.095 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.030 14.892 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.849 13.602 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.543 14.900 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.191 15.072 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.336 16.321 -2.706 1.00 0.00 H new ATOM 194 N PRO A 16 8.336 12.811 0.662 1.00 0.00 N ATOM 195 CA PRO A 16 8.084 11.368 0.615 1.00 0.00 C ATOM 196 C PRO A 16 9.368 10.560 0.460 1.00 0.00 C ATOM 197 O PRO A 16 10.387 11.076 0.002 1.00 0.00 O ATOM 198 CB PRO A 16 7.195 11.203 -0.620 1.00 0.00 C ATOM 199 CG PRO A 16 7.528 12.370 -1.484 1.00 0.00 C ATOM 200 CD PRO A 16 7.855 13.499 -0.548 1.00 0.00 C ATOM 0 HA PRO A 16 7.629 11.003 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.397 10.262 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.139 11.199 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.373 12.145 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.689 12.629 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.616 14.159 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.980 14.114 -0.339 1.00 0.00 H new ATOM 208 N LYS A 17 9.311 9.289 0.845 1.00 0.00 N ATOM 209 CA LYS A 17 10.469 8.408 0.747 1.00 0.00 C ATOM 210 C LYS A 17 10.310 7.428 -0.411 1.00 0.00 C ATOM 211 O LYS A 17 11.254 7.181 -1.162 1.00 0.00 O ATOM 212 CB LYS A 17 10.662 7.639 2.056 1.00 0.00 C ATOM 213 CG LYS A 17 10.799 8.537 3.274 1.00 0.00 C ATOM 214 CD LYS A 17 10.877 7.728 4.557 1.00 0.00 C ATOM 215 CE LYS A 17 12.311 7.348 4.891 1.00 0.00 C ATOM 216 NZ LYS A 17 12.508 7.157 6.355 1.00 0.00 N ATOM 0 H LYS A 17 8.475 8.846 1.228 1.00 0.00 H new ATOM 0 HA LYS A 17 11.349 9.024 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.815 6.969 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.552 7.015 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.694 9.151 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.949 9.217 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.452 8.305 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.275 6.825 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.575 6.430 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.986 8.125 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 13.498 6.899 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.281 8.041 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.883 6.398 6.693 1.00 0.00 H new ATOM 230 N PHE A 18 9.110 6.874 -0.551 1.00 0.00 N ATOM 231 CA PHE A 18 8.828 5.921 -1.619 1.00 0.00 C ATOM 232 C PHE A 18 8.487 6.645 -2.918 1.00 0.00 C ATOM 233 O PHE A 18 8.068 7.802 -2.903 1.00 0.00 O ATOM 234 CB PHE A 18 7.674 5.000 -1.217 1.00 0.00 C ATOM 235 CG PHE A 18 7.864 4.351 0.124 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.530 5.024 1.288 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.376 3.067 0.220 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.705 4.429 2.523 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.552 2.467 1.453 1.00 0.00 C ATOM 240 CZ PHE A 18 8.216 3.149 2.605 1.00 0.00 C ATOM 0 H PHE A 18 8.318 7.068 0.061 1.00 0.00 H new ATOM 0 HA PHE A 18 9.723 5.321 -1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.748 5.575 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.558 4.224 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.128 6.025 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.640 2.529 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.442 4.965 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.952 1.466 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.353 2.682 3.569 1.00 0.00 H new ATOM 250 N GLN A 19 8.671 5.956 -4.039 1.00 0.00 N ATOM 251 CA GLN A 19 8.384 6.533 -5.347 1.00 0.00 C ATOM 252 C GLN A 19 7.285 5.751 -6.058 1.00 0.00 C ATOM 253 O GLN A 19 7.008 4.602 -5.716 1.00 0.00 O ATOM 254 CB GLN A 19 9.649 6.555 -6.207 1.00 0.00 C ATOM 255 CG GLN A 19 10.556 7.742 -5.925 1.00 0.00 C ATOM 256 CD GLN A 19 9.910 9.066 -6.280 1.00 0.00 C ATOM 257 OE1 GLN A 19 9.661 9.901 -5.409 1.00 0.00 O ATOM 258 NE2 GLN A 19 9.636 9.267 -7.563 1.00 0.00 N ATOM 0 H GLN A 19 9.018 4.997 -4.068 1.00 0.00 H new ATOM 0 HA GLN A 19 8.038 7.556 -5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.208 5.634 -6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.363 6.569 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.826 7.745 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.481 7.630 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.859 8.548 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.202 10.141 -7.861 1.00 0.00 H new ATOM 267 N GLU A 20 6.662 6.383 -7.048 1.00 0.00 N ATOM 268 CA GLU A 20 5.592 5.746 -7.806 1.00 0.00 C ATOM 269 C GLU A 20 6.146 4.659 -8.722 1.00 0.00 C ATOM 270 O GLU A 20 7.111 4.881 -9.453 1.00 0.00 O ATOM 271 CB GLU A 20 4.832 6.786 -8.632 1.00 0.00 C ATOM 272 CG GLU A 20 4.054 7.783 -7.789 1.00 0.00 C ATOM 273 CD GLU A 20 3.761 9.072 -8.532 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.754 9.117 -9.268 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.540 10.036 -8.376 1.00 0.00 O ATOM 0 H GLU A 20 6.880 7.335 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 20 4.905 5.284 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.540 7.328 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.142 6.272 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.115 7.330 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.620 8.009 -6.886 1.00 0.00 H new ATOM 282 N GLY A 21 5.529 3.482 -8.676 1.00 0.00 N ATOM 283 CA GLY A 21 5.975 2.378 -9.506 1.00 0.00 C ATOM 284 C GLY A 21 6.777 1.355 -8.727 1.00 0.00 C ATOM 285 O GLY A 21 6.941 0.218 -9.170 1.00 0.00 O ATOM 0 H GLY A 21 4.729 3.273 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.109 1.891 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.582 2.765 -10.324 1.00 0.00 H new ATOM 289 N GLU A 22 7.280 1.759 -7.564 1.00 0.00 N ATOM 290 CA GLU A 22 8.071 0.868 -6.724 1.00 0.00 C ATOM 291 C GLU A 22 7.170 -0.012 -5.863 1.00 0.00 C ATOM 292 O GLU A 22 6.139 0.438 -5.363 1.00 0.00 O ATOM 293 CB GLU A 22 9.015 1.678 -5.832 1.00 0.00 C ATOM 294 CG GLU A 22 10.166 0.863 -5.267 1.00 0.00 C ATOM 295 CD GLU A 22 11.309 0.709 -6.251 1.00 0.00 C ATOM 296 OE1 GLU A 22 11.241 -0.203 -7.102 1.00 0.00 O ATOM 297 OE2 GLU A 22 12.272 1.499 -6.170 1.00 0.00 O ATOM 0 H GLU A 22 7.154 2.697 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 22 8.661 0.224 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.419 2.512 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.445 2.106 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.534 1.342 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.802 -0.124 -4.981 1.00 0.00 H new ATOM 304 N ARG A 23 7.566 -1.270 -5.696 1.00 0.00 N ATOM 305 CA ARG A 23 6.793 -2.214 -4.898 1.00 0.00 C ATOM 306 C ARG A 23 6.839 -1.841 -3.419 1.00 0.00 C ATOM 307 O ARG A 23 7.870 -1.400 -2.911 1.00 0.00 O ATOM 308 CB ARG A 23 7.326 -3.635 -5.093 1.00 0.00 C ATOM 309 CG ARG A 23 6.362 -4.716 -4.632 1.00 0.00 C ATOM 310 CD ARG A 23 6.778 -6.087 -5.141 1.00 0.00 C ATOM 311 NE ARG A 23 7.951 -6.599 -4.438 1.00 0.00 N ATOM 312 CZ ARG A 23 8.674 -7.627 -4.867 1.00 0.00 C ATOM 313 NH1 ARG A 23 8.346 -8.250 -5.991 1.00 0.00 N ATOM 314 NH2 ARG A 23 9.728 -8.035 -4.172 1.00 0.00 N ATOM 0 H ARG A 23 8.417 -1.659 -6.102 1.00 0.00 H new ATOM 0 HA ARG A 23 5.757 -2.172 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.552 -3.788 -6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.264 -3.740 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.321 -4.728 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.358 -4.485 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.950 -6.785 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.992 -6.028 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 23 8.230 -6.142 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.536 -7.940 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.903 -9.039 -6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.984 -7.559 -3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.282 -8.825 -4.503 1.00 0.00 H new ATOM 328 N VAL A 24 5.714 -2.020 -2.734 1.00 0.00 N ATOM 329 CA VAL A 24 5.625 -1.703 -1.314 1.00 0.00 C ATOM 330 C VAL A 24 4.487 -2.470 -0.650 1.00 0.00 C ATOM 331 O VAL A 24 3.596 -2.988 -1.324 1.00 0.00 O ATOM 332 CB VAL A 24 5.413 -0.194 -1.088 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.647 0.588 -1.512 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.182 0.289 -1.838 1.00 0.00 C ATOM 0 H VAL A 24 4.851 -2.383 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 24 6.572 -2.001 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 24 5.252 -0.023 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.479 1.652 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.505 0.260 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.843 0.413 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.048 1.357 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.311 0.106 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.304 -0.249 -1.481 1.00 0.00 H new ATOM 344 N LEU A 25 4.522 -2.538 0.677 1.00 0.00 N ATOM 345 CA LEU A 25 3.493 -3.242 1.434 1.00 0.00 C ATOM 346 C LEU A 25 2.599 -2.258 2.181 1.00 0.00 C ATOM 347 O LEU A 25 3.080 -1.436 2.962 1.00 0.00 O ATOM 348 CB LEU A 25 4.136 -4.216 2.422 1.00 0.00 C ATOM 349 CG LEU A 25 4.852 -5.420 1.809 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.828 -6.025 2.805 1.00 0.00 C ATOM 351 CD2 LEU A 25 3.844 -6.461 1.346 1.00 0.00 C ATOM 0 H LEU A 25 5.252 -2.114 1.250 1.00 0.00 H new ATOM 0 HA LEU A 25 2.877 -3.802 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.852 -3.664 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.361 -4.583 3.095 1.00 0.00 H new ATOM 0 HG LEU A 25 5.416 -5.079 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.328 -6.881 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.570 -5.278 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.286 -6.351 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.371 -7.311 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.252 -6.797 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.186 -6.022 0.596 1.00 0.00 H new ATOM 363 N CYS A 26 1.296 -2.349 1.938 1.00 0.00 N ATOM 364 CA CYS A 26 0.333 -1.467 2.590 1.00 0.00 C ATOM 365 C CYS A 26 -0.420 -2.204 3.692 1.00 0.00 C ATOM 366 O CYS A 26 -0.838 -3.349 3.514 1.00 0.00 O ATOM 367 CB CYS A 26 -0.655 -0.910 1.564 1.00 0.00 C ATOM 368 SG CYS A 26 -2.140 -0.178 2.291 1.00 0.00 S ATOM 0 H CYS A 26 0.882 -3.024 1.295 1.00 0.00 H new ATOM 0 HA CYS A 26 0.882 -0.640 3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.149 -0.156 0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.952 -1.712 0.889 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.187 -0.845 1.904 1.00 0.00 H new ATOM 374 N PHE A 27 -0.588 -1.542 4.832 1.00 0.00 N ATOM 375 CA PHE A 27 -1.289 -2.135 5.964 1.00 0.00 C ATOM 376 C PHE A 27 -2.799 -1.969 5.818 1.00 0.00 C ATOM 377 O PHE A 27 -3.346 -0.898 6.080 1.00 0.00 O ATOM 378 CB PHE A 27 -0.819 -1.496 7.273 1.00 0.00 C ATOM 379 CG PHE A 27 0.370 -2.183 7.882 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.268 -3.479 8.360 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.589 -1.531 7.977 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.361 -4.114 8.921 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.685 -2.161 8.537 1.00 0.00 C ATOM 384 CZ PHE A 27 2.570 -3.453 9.010 1.00 0.00 C ATOM 0 H PHE A 27 -0.248 -0.594 4.996 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.059 -3.200 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.570 -0.451 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.641 -1.507 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.676 -4.000 8.294 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.684 -0.520 7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.269 -5.125 9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.630 -1.643 8.604 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.425 -3.946 9.449 1.00 0.00 H new ATOM 394 N HIS A 28 -3.467 -3.038 5.396 1.00 0.00 N ATOM 395 CA HIS A 28 -4.914 -3.012 5.213 1.00 0.00 C ATOM 396 C HIS A 28 -5.615 -3.799 6.317 1.00 0.00 C ATOM 397 O HIS A 28 -6.564 -4.538 6.059 1.00 0.00 O ATOM 398 CB HIS A 28 -5.288 -3.585 3.846 1.00 0.00 C ATOM 399 CG HIS A 28 -6.750 -3.492 3.537 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.459 -2.310 3.599 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.638 -4.441 3.159 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.719 -2.538 3.275 1.00 0.00 C ATOM 403 NE2 HIS A 28 -8.854 -3.823 3.003 1.00 0.00 N ATOM 0 H HIS A 28 -3.030 -3.933 5.174 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.243 -1.974 5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.728 -3.057 3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.982 -4.630 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.429 -5.490 3.008 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.505 -1.799 3.239 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.721 -4.282 2.723 1.00 0.00 H new ATOM 412 N GLY A 29 -5.139 -3.635 7.548 1.00 0.00 N ATOM 413 CA GLY A 29 -5.732 -4.337 8.671 1.00 0.00 C ATOM 414 C GLY A 29 -4.723 -5.181 9.425 1.00 0.00 C ATOM 415 O GLY A 29 -3.525 -4.898 9.429 1.00 0.00 O ATOM 0 H GLY A 29 -4.354 -3.029 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.178 -3.613 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.539 -4.976 8.311 1.00 0.00 H new ATOM 419 N PRO A 30 -5.208 -6.244 10.082 1.00 0.00 N ATOM 420 CA PRO A 30 -4.357 -7.153 10.856 1.00 0.00 C ATOM 421 C PRO A 30 -3.449 -7.995 9.966 1.00 0.00 C ATOM 422 O PRO A 30 -2.709 -8.852 10.451 1.00 0.00 O ATOM 423 CB PRO A 30 -5.363 -8.044 11.588 1.00 0.00 C ATOM 424 CG PRO A 30 -6.587 -8.012 10.739 1.00 0.00 C ATOM 425 CD PRO A 30 -6.626 -6.642 10.121 1.00 0.00 C ATOM 0 HA PRO A 30 -3.683 -6.613 11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.985 -9.060 11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.567 -7.669 12.591 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.550 -8.785 9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.481 -8.197 11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.065 -6.664 9.123 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.221 -5.950 10.716 1.00 0.00 H new ATOM 433 N LEU A 31 -3.509 -7.745 8.663 1.00 0.00 N ATOM 434 CA LEU A 31 -2.691 -8.480 7.704 1.00 0.00 C ATOM 435 C LEU A 31 -2.143 -7.548 6.628 1.00 0.00 C ATOM 436 O LEU A 31 -2.698 -6.478 6.378 1.00 0.00 O ATOM 437 CB LEU A 31 -3.510 -9.599 7.058 1.00 0.00 C ATOM 438 CG LEU A 31 -3.924 -10.747 7.979 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.241 -11.352 7.519 1.00 0.00 C ATOM 440 CD2 LEU A 31 -2.835 -11.809 8.030 1.00 0.00 C ATOM 0 H LEU A 31 -4.116 -7.039 8.246 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.850 -8.918 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.411 -9.161 6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.933 -10.013 6.231 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.063 -10.349 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.520 -12.167 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.018 -10.588 7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.131 -11.735 6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.147 -12.618 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.664 -12.203 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.913 -11.367 8.408 1.00 0.00 H new ATOM 452 N LEU A 32 -1.052 -7.963 5.994 1.00 0.00 N ATOM 453 CA LEU A 32 -0.429 -7.166 4.942 1.00 0.00 C ATOM 454 C LEU A 32 -0.798 -7.703 3.563 1.00 0.00 C ATOM 455 O LEU A 32 -0.916 -8.912 3.367 1.00 0.00 O ATOM 456 CB LEU A 32 1.091 -7.162 5.111 1.00 0.00 C ATOM 457 CG LEU A 32 1.658 -6.107 6.062 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.111 -6.410 6.391 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.525 -4.717 5.456 1.00 0.00 C ATOM 0 H LEU A 32 -0.580 -8.846 6.189 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.800 -6.144 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.400 -8.145 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.545 -7.020 4.130 1.00 0.00 H new ATOM 0 HG LEU A 32 1.084 -6.135 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.497 -5.649 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.180 -7.388 6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.699 -6.411 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.933 -3.979 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.073 -4.676 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.473 -4.499 5.273 1.00 0.00 H new ATOM 471 N TYR A 33 -0.976 -6.795 2.609 1.00 0.00 N ATOM 472 CA TYR A 33 -1.331 -7.177 1.247 1.00 0.00 C ATOM 473 C TYR A 33 -0.377 -6.545 0.238 1.00 0.00 C ATOM 474 O TYR A 33 -0.046 -5.363 0.337 1.00 0.00 O ATOM 475 CB TYR A 33 -2.769 -6.759 0.937 1.00 0.00 C ATOM 476 CG TYR A 33 -3.779 -7.280 1.934 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.901 -6.706 3.194 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.613 -8.345 1.616 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.822 -7.179 4.108 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.538 -8.823 2.524 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.639 -8.238 3.768 1.00 0.00 C ATOM 482 OH TYR A 33 -6.558 -8.711 4.676 1.00 0.00 O ATOM 0 H TYR A 33 -0.880 -5.790 2.754 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.249 -8.261 1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.825 -5.671 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.036 -7.116 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.265 -5.876 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.537 -8.807 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.902 -6.723 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.179 -9.651 2.260 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.054 -9.458 4.280 1.00 0.00 H new ATOM 492 N GLU A 34 0.061 -7.341 -0.732 1.00 0.00 N ATOM 493 CA GLU A 34 0.977 -6.860 -1.759 1.00 0.00 C ATOM 494 C GLU A 34 0.374 -5.681 -2.517 1.00 0.00 C ATOM 495 O GLU A 34 -0.789 -5.716 -2.917 1.00 0.00 O ATOM 496 CB GLU A 34 1.320 -7.987 -2.736 1.00 0.00 C ATOM 497 CG GLU A 34 2.184 -7.539 -3.903 1.00 0.00 C ATOM 498 CD GLU A 34 2.137 -8.507 -5.069 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.922 -9.714 -4.829 1.00 0.00 O ATOM 500 OE2 GLU A 34 2.316 -8.059 -6.221 1.00 0.00 O ATOM 0 H GLU A 34 -0.204 -8.321 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 34 1.890 -6.525 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.837 -8.780 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.395 -8.415 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.854 -6.556 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.215 -7.431 -3.566 1.00 0.00 H new ATOM 507 N ALA A 35 1.174 -4.637 -2.709 1.00 0.00 N ATOM 508 CA ALA A 35 0.721 -3.448 -3.419 1.00 0.00 C ATOM 509 C ALA A 35 1.900 -2.669 -3.994 1.00 0.00 C ATOM 510 O ALA A 35 3.058 -3.036 -3.792 1.00 0.00 O ATOM 511 CB ALA A 35 -0.098 -2.561 -2.493 1.00 0.00 C ATOM 0 H ALA A 35 2.139 -4.591 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 35 0.091 -3.768 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.430 -1.676 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.966 -3.113 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.515 -2.257 -1.644 1.00 0.00 H new ATOM 517 N LYS A 36 1.598 -1.593 -4.712 1.00 0.00 N ATOM 518 CA LYS A 36 2.632 -0.761 -5.316 1.00 0.00 C ATOM 519 C LYS A 36 2.233 0.710 -5.287 1.00 0.00 C ATOM 520 O LYS A 36 1.059 1.048 -5.450 1.00 0.00 O ATOM 521 CB LYS A 36 2.891 -1.202 -6.759 1.00 0.00 C ATOM 522 CG LYS A 36 3.816 -0.270 -7.523 1.00 0.00 C ATOM 523 CD LYS A 36 3.039 0.818 -8.244 1.00 0.00 C ATOM 524 CE LYS A 36 2.368 0.285 -9.501 1.00 0.00 C ATOM 525 NZ LYS A 36 1.021 -0.280 -9.213 1.00 0.00 N ATOM 0 H LYS A 36 0.645 -1.276 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 36 3.546 -0.882 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.322 -2.203 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.939 -1.268 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.526 0.185 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.396 -0.844 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.284 1.232 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.712 1.633 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.276 1.088 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.996 -0.484 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.372 -0.044 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.090 -1.314 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.658 0.123 -8.325 1.00 0.00 H new ATOM 539 N CYS A 37 3.214 1.581 -5.081 1.00 0.00 N ATOM 540 CA CYS A 37 2.965 3.017 -5.032 1.00 0.00 C ATOM 541 C CYS A 37 2.410 3.519 -6.361 1.00 0.00 C ATOM 542 O CYS A 37 3.124 3.571 -7.363 1.00 0.00 O ATOM 543 CB CYS A 37 4.252 3.768 -4.686 1.00 0.00 C ATOM 544 SG CYS A 37 4.026 5.545 -4.440 1.00 0.00 S ATOM 0 H CYS A 37 4.190 1.318 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 37 2.224 3.205 -4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.679 3.338 -3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.977 3.612 -5.485 1.00 0.00 H new ATOM 0 HG CYS A 37 5.169 6.092 -4.150 1.00 0.00 H new ATOM 550 N VAL A 38 1.133 3.886 -6.363 1.00 0.00 N ATOM 551 CA VAL A 38 0.482 4.382 -7.570 1.00 0.00 C ATOM 552 C VAL A 38 0.647 5.892 -7.701 1.00 0.00 C ATOM 553 O VAL A 38 0.876 6.410 -8.794 1.00 0.00 O ATOM 554 CB VAL A 38 -1.020 4.038 -7.580 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.608 4.253 -8.966 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.241 2.607 -7.114 1.00 0.00 C ATOM 0 H VAL A 38 0.528 3.849 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 38 0.965 3.891 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.533 4.705 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.669 4.005 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.483 5.296 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.094 3.612 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.307 2.381 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.716 1.922 -7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.858 2.491 -6.100 1.00 0.00 H new ATOM 566 N LYS A 39 0.529 6.595 -6.579 1.00 0.00 N ATOM 567 CA LYS A 39 0.666 8.046 -6.567 1.00 0.00 C ATOM 568 C LYS A 39 1.235 8.527 -5.236 1.00 0.00 C ATOM 569 O LYS A 39 1.224 7.797 -4.244 1.00 0.00 O ATOM 570 CB LYS A 39 -0.688 8.710 -6.824 1.00 0.00 C ATOM 571 CG LYS A 39 -1.250 8.430 -8.207 1.00 0.00 C ATOM 572 CD LYS A 39 -2.547 9.184 -8.446 1.00 0.00 C ATOM 573 CE LYS A 39 -3.095 8.924 -9.840 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.452 9.510 -10.022 1.00 0.00 N ATOM 0 H LYS A 39 0.339 6.182 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 39 1.357 8.327 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.400 8.365 -6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.585 9.787 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.518 8.715 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.424 7.360 -8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.285 8.884 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.377 10.253 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.416 9.345 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.137 7.850 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.790 9.311 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.107 9.090 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.408 10.539 -9.876 1.00 0.00 H new ATOM 588 N VAL A 40 1.731 9.760 -5.220 1.00 0.00 N ATOM 589 CA VAL A 40 2.303 10.340 -4.010 1.00 0.00 C ATOM 590 C VAL A 40 1.812 11.767 -3.800 1.00 0.00 C ATOM 591 O VAL A 40 2.284 12.699 -4.451 1.00 0.00 O ATOM 592 CB VAL A 40 3.842 10.340 -4.061 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.418 10.943 -2.789 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.368 8.929 -4.276 1.00 0.00 C ATOM 0 H VAL A 40 1.748 10.377 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 40 1.975 9.720 -3.176 1.00 0.00 H new ATOM 0 HB VAL A 40 4.160 10.954 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.507 10.935 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.068 11.970 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.093 10.357 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.457 8.948 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.041 8.290 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.983 8.537 -5.217 1.00 0.00 H new ATOM 604 N ALA A 41 0.861 11.932 -2.887 1.00 0.00 N ATOM 605 CA ALA A 41 0.307 13.247 -2.588 1.00 0.00 C ATOM 606 C ALA A 41 0.629 13.667 -1.158 1.00 0.00 C ATOM 607 O ALA A 41 1.030 12.843 -0.335 1.00 0.00 O ATOM 608 CB ALA A 41 -1.197 13.250 -2.815 1.00 0.00 C ATOM 0 H ALA A 41 0.458 11.171 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 41 0.767 13.969 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.597 14.238 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.408 13.003 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.665 12.511 -2.165 1.00 0.00 H new ATOM 614 N ILE A 42 0.453 14.952 -0.870 1.00 0.00 N ATOM 615 CA ILE A 42 0.724 15.480 0.461 1.00 0.00 C ATOM 616 C ILE A 42 -0.341 16.487 0.881 1.00 0.00 C ATOM 617 O ILE A 42 -0.501 17.535 0.255 1.00 0.00 O ATOM 618 CB ILE A 42 2.107 16.154 0.528 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.208 15.144 0.194 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.336 16.759 1.905 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.513 15.787 -0.220 1.00 0.00 C ATOM 0 H ILE A 42 0.124 15.647 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 42 0.708 14.632 1.146 1.00 0.00 H new ATOM 0 HB ILE A 42 2.140 16.956 -0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.384 14.510 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.862 14.494 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.318 17.231 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.568 17.505 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.287 15.974 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.246 15.012 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.352 16.398 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.882 16.415 0.591 1.00 0.00 H new ATOM 633 N LYS A 43 -1.066 16.164 1.947 1.00 0.00 N ATOM 634 CA LYS A 43 -2.114 17.042 2.454 1.00 0.00 C ATOM 635 C LYS A 43 -2.263 16.894 3.965 1.00 0.00 C ATOM 636 O LYS A 43 -1.652 16.017 4.576 1.00 0.00 O ATOM 637 CB LYS A 43 -3.445 16.730 1.767 1.00 0.00 C ATOM 638 CG LYS A 43 -3.866 15.275 1.887 1.00 0.00 C ATOM 639 CD LYS A 43 -5.197 15.021 1.199 1.00 0.00 C ATOM 640 CE LYS A 43 -6.365 15.242 2.147 1.00 0.00 C ATOM 641 NZ LYS A 43 -7.657 15.365 1.416 1.00 0.00 N ATOM 0 H LYS A 43 -0.947 15.300 2.477 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.830 18.071 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.223 17.361 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.369 16.992 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.100 14.636 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.942 15.003 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.295 15.683 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.223 13.999 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.424 14.412 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.192 16.145 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.428 15.515 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.611 16.173 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.835 14.494 0.877 1.00 0.00 H new ATOM 655 N ASP A 44 -3.079 17.756 4.561 1.00 0.00 N ATOM 656 CA ASP A 44 -3.310 17.720 6.001 1.00 0.00 C ATOM 657 C ASP A 44 -2.001 17.515 6.756 1.00 0.00 C ATOM 658 O ASP A 44 -1.967 16.854 7.795 1.00 0.00 O ATOM 659 CB ASP A 44 -4.296 16.604 6.352 1.00 0.00 C ATOM 660 CG ASP A 44 -5.110 16.921 7.592 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.320 18.119 7.873 1.00 0.00 O ATOM 662 OD2 ASP A 44 -5.536 15.970 8.281 1.00 0.00 O ATOM 0 H ASP A 44 -3.592 18.488 4.070 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.735 18.678 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.969 16.440 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.748 15.675 6.508 1.00 0.00 H new ATOM 667 N LYS A 45 -0.924 18.086 6.228 1.00 0.00 N ATOM 668 CA LYS A 45 0.389 17.968 6.852 1.00 0.00 C ATOM 669 C LYS A 45 0.802 16.505 6.977 1.00 0.00 C ATOM 670 O LYS A 45 1.379 16.098 7.985 1.00 0.00 O ATOM 671 CB LYS A 45 0.382 18.627 8.233 1.00 0.00 C ATOM 672 CG LYS A 45 0.084 20.116 8.195 1.00 0.00 C ATOM 673 CD LYS A 45 1.297 20.916 7.750 1.00 0.00 C ATOM 674 CE LYS A 45 0.972 22.396 7.620 1.00 0.00 C ATOM 675 NZ LYS A 45 2.159 23.251 7.897 1.00 0.00 N ATOM 0 H LYS A 45 -0.934 18.636 5.369 1.00 0.00 H new ATOM 0 HA LYS A 45 1.113 18.479 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.361 18.132 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.352 18.471 8.706 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.747 20.305 7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.231 20.450 9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.106 20.782 8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.654 20.535 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.604 22.600 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.170 22.654 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.896 24.252 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.495 23.075 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.916 23.023 7.221 1.00 0.00 H new ATOM 689 N GLN A 46 0.503 15.720 5.947 1.00 0.00 N ATOM 690 CA GLN A 46 0.845 14.302 5.943 1.00 0.00 C ATOM 691 C GLN A 46 1.056 13.797 4.520 1.00 0.00 C ATOM 692 O GLN A 46 0.350 14.202 3.595 1.00 0.00 O ATOM 693 CB GLN A 46 -0.255 13.489 6.628 1.00 0.00 C ATOM 694 CG GLN A 46 -1.414 13.139 5.709 1.00 0.00 C ATOM 695 CD GLN A 46 -2.365 12.132 6.326 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.986 11.365 7.211 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.609 12.130 5.862 1.00 0.00 N ATOM 0 H GLN A 46 0.025 16.041 5.105 1.00 0.00 H new ATOM 0 HA GLN A 46 1.777 14.177 6.495 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.176 12.569 7.022 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.635 14.053 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.963 14.047 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.023 12.738 4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.880 12.783 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.293 11.475 6.240 1.00 0.00 H new ATOM 706 N VAL A 47 2.031 12.910 4.350 1.00 0.00 N ATOM 707 CA VAL A 47 2.335 12.349 3.039 1.00 0.00 C ATOM 708 C VAL A 47 1.562 11.056 2.802 1.00 0.00 C ATOM 709 O VAL A 47 1.717 10.083 3.540 1.00 0.00 O ATOM 710 CB VAL A 47 3.842 12.069 2.884 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.187 11.797 1.428 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.658 13.232 3.426 1.00 0.00 C ATOM 0 H VAL A 47 2.624 12.564 5.104 1.00 0.00 H new ATOM 0 HA VAL A 47 2.033 13.091 2.299 1.00 0.00 H new ATOM 0 HB VAL A 47 4.091 11.180 3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.255 11.601 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.628 10.929 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.925 12.665 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.720 13.017 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.408 14.139 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.431 13.374 4.483 1.00 0.00 H new ATOM 722 N LYS A 48 0.728 11.053 1.768 1.00 0.00 N ATOM 723 CA LYS A 48 -0.070 9.880 1.431 1.00 0.00 C ATOM 724 C LYS A 48 0.385 9.275 0.106 1.00 0.00 C ATOM 725 O LYS A 48 0.986 9.957 -0.724 1.00 0.00 O ATOM 726 CB LYS A 48 -1.552 10.252 1.352 1.00 0.00 C ATOM 727 CG LYS A 48 -2.208 10.430 2.710 1.00 0.00 C ATOM 728 CD LYS A 48 -2.810 9.128 3.213 1.00 0.00 C ATOM 729 CE LYS A 48 -3.550 9.328 4.527 1.00 0.00 C ATOM 730 NZ LYS A 48 -2.658 9.127 5.702 1.00 0.00 N ATOM 0 H LYS A 48 0.587 11.851 1.148 1.00 0.00 H new ATOM 0 HA LYS A 48 0.070 9.137 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.656 11.176 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.084 9.477 0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.471 10.792 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.987 11.190 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.495 8.730 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.020 8.389 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.970 10.333 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.386 8.631 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.839 9.870 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.845 8.195 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.665 9.175 5.396 1.00 0.00 H new ATOM 744 N TYR A 49 0.093 7.994 -0.084 1.00 0.00 N ATOM 745 CA TYR A 49 0.473 7.297 -1.308 1.00 0.00 C ATOM 746 C TYR A 49 -0.663 6.408 -1.803 1.00 0.00 C ATOM 747 O TYR A 49 -1.164 5.555 -1.071 1.00 0.00 O ATOM 748 CB TYR A 49 1.729 6.456 -1.071 1.00 0.00 C ATOM 749 CG TYR A 49 2.778 7.155 -0.237 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.515 7.531 1.074 1.00 0.00 C ATOM 751 CD2 TYR A 49 4.034 7.439 -0.761 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.471 8.171 1.839 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.996 8.077 -0.002 1.00 0.00 C ATOM 754 CZ TYR A 49 4.710 8.441 1.297 1.00 0.00 C ATOM 755 OH TYR A 49 5.665 9.077 2.056 1.00 0.00 O ATOM 0 H TYR A 49 -0.405 7.416 0.593 1.00 0.00 H new ATOM 0 HA TYR A 49 0.684 8.045 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.446 5.526 -0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.163 6.187 -2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.547 7.319 1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.261 7.156 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.249 8.458 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.967 8.290 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 49 6.556 8.775 1.781 1.00 0.00 H new ATOM 765 N PHE A 50 -1.064 6.613 -3.054 1.00 0.00 N ATOM 766 CA PHE A 50 -2.141 5.831 -3.649 1.00 0.00 C ATOM 767 C PHE A 50 -1.706 4.386 -3.869 1.00 0.00 C ATOM 768 O PHE A 50 -1.026 4.073 -4.847 1.00 0.00 O ATOM 769 CB PHE A 50 -2.576 6.453 -4.978 1.00 0.00 C ATOM 770 CG PHE A 50 -3.765 5.774 -5.596 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.825 5.351 -4.810 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.824 5.560 -6.964 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.919 4.726 -5.376 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.916 4.935 -7.536 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.966 4.519 -6.741 1.00 0.00 C ATOM 0 H PHE A 50 -0.659 7.314 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.985 5.836 -2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.811 7.505 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.741 6.416 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.795 5.512 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.007 5.886 -7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.737 4.399 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.948 4.772 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.822 4.033 -7.186 1.00 0.00 H new ATOM 785 N ILE A 51 -2.102 3.509 -2.953 1.00 0.00 N ATOM 786 CA ILE A 51 -1.754 2.096 -3.047 1.00 0.00 C ATOM 787 C ILE A 51 -2.730 1.348 -3.949 1.00 0.00 C ATOM 788 O ILE A 51 -3.908 1.697 -4.032 1.00 0.00 O ATOM 789 CB ILE A 51 -1.739 1.427 -1.660 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.825 2.200 -0.707 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.289 -0.022 -1.776 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.620 2.234 -1.150 1.00 0.00 C ATOM 0 H ILE A 51 -2.664 3.752 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.754 2.045 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.751 1.441 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.192 3.222 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.882 1.749 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.283 -0.482 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.976 -0.565 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.285 -0.058 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.209 2.798 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.004 1.216 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.690 2.712 -2.127 1.00 0.00 H new ATOM 804 N HIS A 52 -2.232 0.317 -4.624 1.00 0.00 N ATOM 805 CA HIS A 52 -3.060 -0.483 -5.519 1.00 0.00 C ATOM 806 C HIS A 52 -3.028 -1.955 -5.119 1.00 0.00 C ATOM 807 O HIS A 52 -2.149 -2.705 -5.545 1.00 0.00 O ATOM 808 CB HIS A 52 -2.586 -0.325 -6.964 1.00 0.00 C ATOM 809 CG HIS A 52 -3.137 -1.363 -7.893 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.459 -1.395 -8.286 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.538 -2.409 -8.507 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.648 -2.417 -9.101 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.498 -3.049 -9.252 1.00 0.00 N ATOM 0 H HIS A 52 -1.259 0.016 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.087 -0.126 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.872 0.663 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.497 -0.370 -6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.498 -2.689 -8.426 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.584 -2.690 -9.565 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.347 -3.877 -9.828 1.00 0.00 H new ATOM 822 N TYR A 53 -3.990 -2.361 -4.298 1.00 0.00 N ATOM 823 CA TYR A 53 -4.070 -3.742 -3.838 1.00 0.00 C ATOM 824 C TYR A 53 -4.135 -4.706 -5.018 1.00 0.00 C ATOM 825 O TYR A 53 -5.178 -4.858 -5.654 1.00 0.00 O ATOM 826 CB TYR A 53 -5.295 -3.933 -2.941 1.00 0.00 C ATOM 827 CG TYR A 53 -5.210 -3.179 -1.633 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.125 -3.347 -0.781 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.215 -2.300 -1.248 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.044 -2.662 0.416 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.141 -1.609 -0.055 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.054 -1.794 0.774 1.00 0.00 C ATOM 833 OH TYR A 53 -4.978 -1.108 1.965 1.00 0.00 O ATOM 0 H TYR A 53 -4.725 -1.753 -3.937 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.170 -3.959 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.185 -3.608 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.419 -4.995 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.332 -4.025 -1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.069 -2.155 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.195 -2.805 1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.930 -0.927 0.228 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.779 -1.290 2.499 1.00 0.00 H new ATOM 843 N SER A 54 -3.012 -5.357 -5.305 1.00 0.00 N ATOM 844 CA SER A 54 -2.939 -6.305 -6.410 1.00 0.00 C ATOM 845 C SER A 54 -4.222 -7.125 -6.509 1.00 0.00 C ATOM 846 O SER A 54 -4.561 -7.881 -5.600 1.00 0.00 O ATOM 847 CB SER A 54 -1.738 -7.237 -6.232 1.00 0.00 C ATOM 848 OG SER A 54 -1.406 -7.879 -7.450 1.00 0.00 O ATOM 0 H SER A 54 -2.140 -5.245 -4.787 1.00 0.00 H new ATOM 0 HA SER A 54 -2.818 -5.739 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.881 -6.667 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.964 -7.986 -5.473 1.00 0.00 H new ATOM 0 HG SER A 54 -0.635 -8.467 -7.310 1.00 0.00 H new ATOM 854 N GLY A 55 -4.933 -6.967 -7.622 1.00 0.00 N ATOM 855 CA GLY A 55 -6.171 -7.697 -7.821 1.00 0.00 C ATOM 856 C GLY A 55 -6.951 -7.200 -9.022 1.00 0.00 C ATOM 857 O GLY A 55 -6.539 -6.250 -9.688 1.00 0.00 O ATOM 0 H GLY A 55 -4.673 -6.347 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.948 -8.756 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.789 -7.608 -6.928 1.00 0.00 H new ATOM 861 N TRP A 56 -8.079 -7.843 -9.300 1.00 0.00 N ATOM 862 CA TRP A 56 -8.918 -7.461 -10.430 1.00 0.00 C ATOM 863 C TRP A 56 -9.818 -6.285 -10.068 1.00 0.00 C ATOM 864 O TRP A 56 -9.841 -5.272 -10.766 1.00 0.00 O ATOM 865 CB TRP A 56 -9.768 -8.648 -10.885 1.00 0.00 C ATOM 866 CG TRP A 56 -8.978 -9.908 -11.071 1.00 0.00 C ATOM 867 CD1 TRP A 56 -8.775 -10.892 -10.146 1.00 0.00 C ATOM 868 CD2 TRP A 56 -8.285 -10.318 -12.254 1.00 0.00 C ATOM 869 NE1 TRP A 56 -7.996 -11.889 -10.683 1.00 0.00 N ATOM 870 CE2 TRP A 56 -7.683 -11.561 -11.975 1.00 0.00 C ATOM 871 CE3 TRP A 56 -8.115 -9.758 -13.523 1.00 0.00 C ATOM 872 CZ2 TRP A 56 -6.925 -12.249 -12.919 1.00 0.00 C ATOM 873 CZ3 TRP A 56 -7.362 -10.442 -14.458 1.00 0.00 C ATOM 874 CH2 TRP A 56 -6.775 -11.677 -14.153 1.00 0.00 C ATOM 0 H TRP A 56 -8.434 -8.631 -8.759 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.265 -7.156 -11.248 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -10.554 -8.825 -10.151 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.260 -8.394 -11.824 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.169 -10.887 -9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -7.699 -12.736 -10.198 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.564 -8.807 -13.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.471 -13.201 -12.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.223 -10.017 -15.441 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.193 -12.187 -14.906 1.00 0.00 H new ATOM 885 N ASN A 57 -10.556 -6.426 -8.972 1.00 0.00 N ATOM 886 CA ASN A 57 -11.458 -5.374 -8.517 1.00 0.00 C ATOM 887 C ASN A 57 -10.867 -3.994 -8.793 1.00 0.00 C ATOM 888 O ASN A 57 -11.580 -3.066 -9.176 1.00 0.00 O ATOM 889 CB ASN A 57 -11.744 -5.529 -7.022 1.00 0.00 C ATOM 890 CG ASN A 57 -13.082 -4.935 -6.625 1.00 0.00 C ATOM 891 OD1 ASN A 57 -13.603 -4.045 -7.298 1.00 0.00 O ATOM 892 ND2 ASN A 57 -13.644 -5.425 -5.526 1.00 0.00 N ATOM 0 H ASN A 57 -10.547 -7.258 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.393 -5.467 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.727 -6.587 -6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.951 -5.046 -6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.544 -5.064 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.176 -6.163 -4.999 1.00 0.00 H new ATOM 899 N LYS A 58 -9.560 -3.867 -8.595 1.00 0.00 N ATOM 900 CA LYS A 58 -8.871 -2.602 -8.824 1.00 0.00 C ATOM 901 C LYS A 58 -9.702 -1.430 -8.312 1.00 0.00 C ATOM 902 O LYS A 58 -9.686 -0.345 -8.893 1.00 0.00 O ATOM 903 CB LYS A 58 -8.576 -2.420 -10.314 1.00 0.00 C ATOM 904 CG LYS A 58 -9.818 -2.176 -11.155 1.00 0.00 C ATOM 905 CD LYS A 58 -9.460 -1.744 -12.567 1.00 0.00 C ATOM 906 CE LYS A 58 -10.585 -2.047 -13.544 1.00 0.00 C ATOM 907 NZ LYS A 58 -11.572 -0.935 -13.616 1.00 0.00 N ATOM 0 H LYS A 58 -8.956 -4.625 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.930 -2.625 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.891 -1.581 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.064 -3.308 -10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.417 -3.086 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.433 -1.409 -10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.245 -0.676 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.552 -2.256 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.167 -2.226 -14.535 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.092 -2.963 -13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.323 -1.180 -14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.990 -0.780 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.094 -0.066 -13.930 1.00 0.00 H new ATOM 921 N ASN A 59 -10.426 -1.655 -7.221 1.00 0.00 N ATOM 922 CA ASN A 59 -11.263 -0.616 -6.631 1.00 0.00 C ATOM 923 C ASN A 59 -10.833 -0.321 -5.197 1.00 0.00 C ATOM 924 O ASN A 59 -10.697 0.838 -4.805 1.00 0.00 O ATOM 925 CB ASN A 59 -12.733 -1.040 -6.658 1.00 0.00 C ATOM 926 CG ASN A 59 -13.675 0.146 -6.738 1.00 0.00 C ATOM 927 OD1 ASN A 59 -13.438 1.091 -7.491 1.00 0.00 O ATOM 928 ND2 ASN A 59 -14.750 0.101 -5.960 1.00 0.00 N ATOM 0 H ASN A 59 -10.450 -2.547 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.143 0.292 -7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.904 -1.695 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.958 -1.619 -5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.420 0.870 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.906 -0.703 -5.352 1.00 0.00 H new ATOM 935 N TRP A 60 -10.621 -1.377 -4.420 1.00 0.00 N ATOM 936 CA TRP A 60 -10.206 -1.231 -3.029 1.00 0.00 C ATOM 937 C TRP A 60 -9.072 -0.220 -2.902 1.00 0.00 C ATOM 938 O TRP A 60 -8.850 0.347 -1.832 1.00 0.00 O ATOM 939 CB TRP A 60 -9.767 -2.582 -2.462 1.00 0.00 C ATOM 940 CG TRP A 60 -10.708 -3.700 -2.796 1.00 0.00 C ATOM 941 CD1 TRP A 60 -12.072 -3.641 -2.832 1.00 0.00 C ATOM 942 CD2 TRP A 60 -10.354 -5.045 -3.138 1.00 0.00 C ATOM 943 NE1 TRP A 60 -12.587 -4.867 -3.176 1.00 0.00 N ATOM 944 CE2 TRP A 60 -11.554 -5.745 -3.370 1.00 0.00 C ATOM 945 CE3 TRP A 60 -9.140 -5.724 -3.274 1.00 0.00 C ATOM 946 CZ2 TRP A 60 -11.572 -7.091 -3.728 1.00 0.00 C ATOM 947 CZ3 TRP A 60 -9.160 -7.059 -3.629 1.00 0.00 C ATOM 948 CH2 TRP A 60 -10.369 -7.731 -3.854 1.00 0.00 C ATOM 0 H TRP A 60 -10.729 -2.343 -4.729 1.00 0.00 H new ATOM 0 HA TRP A 60 -11.059 -0.865 -2.458 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -8.776 -2.824 -2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -9.679 -2.502 -1.379 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.659 -2.760 -2.621 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -13.578 -5.088 -3.271 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.203 -5.214 -3.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -12.503 -7.611 -3.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -8.228 -7.594 -3.735 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -10.351 -8.774 -4.132 1.00 0.00 H new ATOM 959 N ASP A 61 -8.358 0.002 -4.000 1.00 0.00 N ATOM 960 CA ASP A 61 -7.247 0.946 -4.012 1.00 0.00 C ATOM 961 C ASP A 61 -7.594 2.203 -3.219 1.00 0.00 C ATOM 962 O ASP A 61 -8.494 2.954 -3.592 1.00 0.00 O ATOM 963 CB ASP A 61 -6.882 1.320 -5.449 1.00 0.00 C ATOM 964 CG ASP A 61 -8.104 1.523 -6.323 1.00 0.00 C ATOM 965 OD1 ASP A 61 -9.041 2.219 -5.879 1.00 0.00 O ATOM 966 OD2 ASP A 61 -8.124 0.986 -7.450 1.00 0.00 O ATOM 0 H ASP A 61 -8.529 -0.459 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.389 0.465 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.287 2.233 -5.444 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.258 0.536 -5.878 1.00 0.00 H new ATOM 971 N GLU A 62 -6.874 2.423 -2.124 1.00 0.00 N ATOM 972 CA GLU A 62 -7.107 3.588 -1.278 1.00 0.00 C ATOM 973 C GLU A 62 -5.798 4.308 -0.969 1.00 0.00 C ATOM 974 O GLU A 62 -4.720 3.843 -1.340 1.00 0.00 O ATOM 975 CB GLU A 62 -7.792 3.170 0.025 1.00 0.00 C ATOM 976 CG GLU A 62 -6.972 2.202 0.861 1.00 0.00 C ATOM 977 CD GLU A 62 -7.299 2.284 2.339 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.500 2.292 2.680 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.355 2.341 3.154 1.00 0.00 O ATOM 0 H GLU A 62 -6.125 1.810 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.759 4.274 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.002 4.061 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.752 2.710 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.148 1.185 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.912 2.410 0.715 1.00 0.00 H new ATOM 986 N TRP A 63 -5.901 5.444 -0.289 1.00 0.00 N ATOM 987 CA TRP A 63 -4.725 6.229 0.069 1.00 0.00 C ATOM 988 C TRP A 63 -4.221 5.852 1.458 1.00 0.00 C ATOM 989 O TRP A 63 -5.007 5.704 2.395 1.00 0.00 O ATOM 990 CB TRP A 63 -5.049 7.723 0.018 1.00 0.00 C ATOM 991 CG TRP A 63 -5.099 8.272 -1.376 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.212 8.441 -2.150 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.990 8.722 -2.160 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.860 8.970 -3.369 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.503 9.152 -3.400 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.613 8.807 -1.935 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.686 9.656 -4.408 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.804 9.307 -2.938 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.342 9.727 -4.161 1.00 0.00 C ATOM 0 H TRP A 63 -6.786 5.842 0.025 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.939 6.010 -0.654 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -6.009 7.896 0.504 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.299 8.270 0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.220 8.195 -1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.505 9.191 -4.128 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.189 8.488 -0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.099 9.980 -5.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.738 9.375 -2.776 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.683 10.114 -4.924 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.907 5.699 1.585 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.299 5.341 2.861 1.00 0.00 C ATOM 1012 C VAL A 64 -1.105 6.236 3.171 1.00 0.00 C ATOM 1013 O VAL A 64 -0.430 6.745 2.276 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.841 3.870 2.872 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.878 2.983 2.200 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.487 3.730 2.192 1.00 0.00 C ATOM 0 H VAL A 64 -2.243 5.817 0.820 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.063 5.481 3.626 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.738 3.547 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.537 1.948 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.825 3.062 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.016 3.303 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.178 2.685 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.562 4.070 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.250 4.335 2.721 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.835 6.434 4.470 1.00 0.00 N ATOM 1027 CA PRO A 65 0.280 7.268 4.929 1.00 0.00 C ATOM 1028 C PRO A 65 1.636 6.631 4.644 1.00 0.00 C ATOM 1029 O PRO A 65 1.711 5.512 4.138 1.00 0.00 O ATOM 1030 CB PRO A 65 0.046 7.374 6.438 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.735 6.154 6.787 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.597 5.858 5.591 1.00 0.00 C ATOM 0 HA PRO A 65 0.305 8.231 4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.989 7.410 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.503 8.281 6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.073 5.317 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.344 6.321 7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.752 4.787 5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.583 6.314 5.683 1.00 0.00 H new ATOM 1040 N GLU A 66 2.704 7.352 4.972 1.00 0.00 N ATOM 1041 CA GLU A 66 4.057 6.855 4.750 1.00 0.00 C ATOM 1042 C GLU A 66 4.419 5.785 5.776 1.00 0.00 C ATOM 1043 O GLU A 66 5.445 5.115 5.653 1.00 0.00 O ATOM 1044 CB GLU A 66 5.063 8.006 4.820 1.00 0.00 C ATOM 1045 CG GLU A 66 6.491 7.585 4.514 1.00 0.00 C ATOM 1046 CD GLU A 66 7.251 7.158 5.755 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.361 7.975 6.693 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.737 6.008 5.788 1.00 0.00 O ATOM 0 H GLU A 66 2.659 8.281 5.392 1.00 0.00 H new ATOM 0 HA GLU A 66 4.095 6.408 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.763 8.783 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.029 8.448 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.478 6.762 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.016 8.413 4.038 1.00 0.00 H new ATOM 1055 N SER A 67 3.570 5.631 6.786 1.00 0.00 N ATOM 1056 CA SER A 67 3.802 4.646 7.836 1.00 0.00 C ATOM 1057 C SER A 67 3.209 3.293 7.453 1.00 0.00 C ATOM 1058 O SER A 67 3.728 2.245 7.834 1.00 0.00 O ATOM 1059 CB SER A 67 3.197 5.125 9.157 1.00 0.00 C ATOM 1060 OG SER A 67 3.923 4.618 10.264 1.00 0.00 O ATOM 0 H SER A 67 2.715 6.176 6.900 1.00 0.00 H new ATOM 0 HA SER A 67 4.879 4.530 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.197 6.215 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.157 4.804 9.222 1.00 0.00 H new ATOM 0 HG SER A 67 3.518 4.940 11.096 1.00 0.00 H new ATOM 1066 N ARG A 68 2.117 3.327 6.695 1.00 0.00 N ATOM 1067 CA ARG A 68 1.451 2.105 6.261 1.00 0.00 C ATOM 1068 C ARG A 68 2.177 1.484 5.070 1.00 0.00 C ATOM 1069 O ARG A 68 1.916 0.340 4.698 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.004 2.396 5.889 1.00 0.00 C ATOM 1071 CG ARG A 68 -0.931 2.493 7.090 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.371 2.191 6.707 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.316 2.662 7.716 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.551 2.189 7.845 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -4.987 1.236 7.032 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.351 2.668 8.788 1.00 0.00 N ATOM 0 H ARG A 68 1.676 4.187 6.369 1.00 0.00 H new ATOM 0 HA ARG A 68 1.472 1.396 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.048 3.331 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.365 1.611 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.604 1.795 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.869 3.493 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.598 2.661 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.492 1.116 6.571 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.011 3.394 8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.374 0.865 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.935 0.874 7.133 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.018 3.400 9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.299 2.304 8.886 1.00 0.00 H new ATOM 1090 N VAL A 69 3.089 2.247 4.476 1.00 0.00 N ATOM 1091 CA VAL A 69 3.853 1.773 3.329 1.00 0.00 C ATOM 1092 C VAL A 69 5.224 1.260 3.755 1.00 0.00 C ATOM 1093 O VAL A 69 5.903 1.878 4.577 1.00 0.00 O ATOM 1094 CB VAL A 69 4.037 2.885 2.279 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.584 2.309 0.981 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.723 3.612 2.038 1.00 0.00 C ATOM 0 H VAL A 69 3.317 3.197 4.771 1.00 0.00 H new ATOM 0 HA VAL A 69 3.284 0.955 2.886 1.00 0.00 H new ATOM 0 HB VAL A 69 4.760 3.606 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.707 3.109 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.549 1.838 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.888 1.566 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.871 4.394 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.977 2.904 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.378 4.059 2.970 1.00 0.00 H new ATOM 1106 N LEU A 70 5.626 0.126 3.192 1.00 0.00 N ATOM 1107 CA LEU A 70 6.918 -0.472 3.513 1.00 0.00 C ATOM 1108 C LEU A 70 7.836 -0.472 2.295 1.00 0.00 C ATOM 1109 O LEU A 70 7.426 -0.101 1.195 1.00 0.00 O ATOM 1110 CB LEU A 70 6.728 -1.901 4.023 1.00 0.00 C ATOM 1111 CG LEU A 70 5.635 -2.099 5.074 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.424 -3.579 5.352 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.986 -1.358 6.356 1.00 0.00 C ATOM 0 H LEU A 70 5.076 -0.398 2.511 1.00 0.00 H new ATOM 0 HA LEU A 70 7.384 0.127 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.505 -2.543 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.674 -2.245 4.442 1.00 0.00 H new ATOM 0 HG LEU A 70 4.704 -1.687 4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.643 -3.701 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.126 -4.083 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.352 -4.016 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.197 -1.510 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.928 -1.739 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.085 -0.293 6.145 1.00 0.00 H new ATOM 1125 N LYS A 71 9.079 -0.894 2.498 1.00 0.00 N ATOM 1126 CA LYS A 71 10.056 -0.947 1.416 1.00 0.00 C ATOM 1127 C LYS A 71 10.081 -2.330 0.773 1.00 0.00 C ATOM 1128 O LYS A 71 10.966 -2.637 -0.026 1.00 0.00 O ATOM 1129 CB LYS A 71 11.449 -0.591 1.941 1.00 0.00 C ATOM 1130 CG LYS A 71 11.585 0.860 2.369 1.00 0.00 C ATOM 1131 CD LYS A 71 10.887 1.119 3.694 1.00 0.00 C ATOM 1132 CE LYS A 71 11.332 2.436 4.310 1.00 0.00 C ATOM 1133 NZ LYS A 71 12.589 2.287 5.093 1.00 0.00 N ATOM 0 H LYS A 71 9.434 -1.205 3.402 1.00 0.00 H new ATOM 0 HA LYS A 71 9.763 -0.219 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.684 -1.235 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.185 -0.803 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.641 1.117 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.162 1.508 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.808 1.134 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.100 0.303 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.481 3.173 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.544 2.818 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.858 3.207 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.440 1.602 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.348 1.947 4.469 1.00 0.00 H new ATOM 1147 N TYR A 72 9.106 -3.159 1.127 1.00 0.00 N ATOM 1148 CA TYR A 72 9.017 -4.510 0.585 1.00 0.00 C ATOM 1149 C TYR A 72 10.377 -5.200 0.618 1.00 0.00 C ATOM 1150 O TYR A 72 10.799 -5.814 -0.362 1.00 0.00 O ATOM 1151 CB TYR A 72 8.486 -4.473 -0.849 1.00 0.00 C ATOM 1152 CG TYR A 72 7.643 -5.674 -1.213 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.230 -6.903 -1.487 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.258 -5.579 -1.285 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.464 -8.002 -1.821 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.484 -6.674 -1.617 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.091 -7.883 -1.884 1.00 0.00 C ATOM 1158 OH TYR A 72 5.323 -8.975 -2.217 1.00 0.00 O ATOM 0 H TYR A 72 8.366 -2.920 1.787 1.00 0.00 H new ATOM 0 HA TYR A 72 8.326 -5.079 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.893 -3.569 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.328 -4.408 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.304 -7.000 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.779 -4.633 -1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.937 -8.950 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.409 -6.584 -1.667 1.00 0.00 H new ATOM 0 HH TYR A 72 4.376 -8.722 -2.215 1.00 0.00 H new ATOM 1168 N VAL A 73 11.060 -5.096 1.754 1.00 0.00 N ATOM 1169 CA VAL A 73 12.371 -5.711 1.918 1.00 0.00 C ATOM 1170 C VAL A 73 12.307 -6.896 2.874 1.00 0.00 C ATOM 1171 O VAL A 73 11.332 -7.064 3.607 1.00 0.00 O ATOM 1172 CB VAL A 73 13.405 -4.697 2.443 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.720 -3.656 1.380 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.902 -4.035 3.717 1.00 0.00 C ATOM 0 H VAL A 73 10.726 -4.591 2.575 1.00 0.00 H new ATOM 0 HA VAL A 73 12.682 -6.059 0.933 1.00 0.00 H new ATOM 0 HB VAL A 73 14.326 -5.231 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.452 -2.948 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.126 -4.149 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.808 -3.123 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.645 -3.322 4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.967 -3.513 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.733 -4.795 4.480 1.00 0.00 H new ATOM 1184 N ASP A 74 13.352 -7.716 2.862 1.00 0.00 N ATOM 1185 CA ASP A 74 13.416 -8.886 3.730 1.00 0.00 C ATOM 1186 C ASP A 74 12.725 -8.613 5.063 1.00 0.00 C ATOM 1187 O ASP A 74 11.717 -9.240 5.392 1.00 0.00 O ATOM 1188 CB ASP A 74 14.871 -9.291 3.971 1.00 0.00 C ATOM 1189 CG ASP A 74 15.707 -9.223 2.707 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.167 -9.524 1.623 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.901 -8.869 2.804 1.00 0.00 O ATOM 0 H ASP A 74 14.167 -7.592 2.261 1.00 0.00 H new ATOM 0 HA ASP A 74 12.896 -9.705 3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.307 -8.638 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.902 -10.305 4.370 1.00 0.00 H new ATOM 1196 N THR A 75 13.273 -7.673 5.826 1.00 0.00 N ATOM 1197 CA THR A 75 12.711 -7.318 7.124 1.00 0.00 C ATOM 1198 C THR A 75 11.189 -7.251 7.064 1.00 0.00 C ATOM 1199 O THR A 75 10.498 -8.009 7.742 1.00 0.00 O ATOM 1200 CB THR A 75 13.254 -5.965 7.620 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.683 -6.011 7.702 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.673 -5.615 8.982 1.00 0.00 C ATOM 0 H THR A 75 14.106 -7.143 5.568 1.00 0.00 H new ATOM 0 HA THR A 75 13.010 -8.099 7.823 1.00 0.00 H new ATOM 0 HB THR A 75 12.956 -5.196 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.021 -5.146 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.071 -4.655 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.587 -5.552 8.909 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.944 -6.387 9.702 1.00 0.00 H new ATOM 1210 N ASN A 76 10.674 -6.339 6.246 1.00 0.00 N ATOM 1211 CA ASN A 76 9.232 -6.173 6.098 1.00 0.00 C ATOM 1212 C ASN A 76 8.563 -7.504 5.767 1.00 0.00 C ATOM 1213 O ASN A 76 7.526 -7.848 6.335 1.00 0.00 O ATOM 1214 CB ASN A 76 8.926 -5.149 5.003 1.00 0.00 C ATOM 1215 CG ASN A 76 9.247 -3.730 5.432 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.864 -2.968 4.537 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 8.944 -3.326 6.555 1.00 0.00 N flip ATOM 0 H ASN A 76 11.233 -5.704 5.676 1.00 0.00 H new ATOM 0 HA ASN A 76 8.833 -5.812 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.500 -5.394 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.872 -5.214 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.470 -3.948 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.167 -2.369 6.830 1.00 0.00 H new ATOM 1224 N LEU A 77 9.163 -8.248 4.846 1.00 0.00 N ATOM 1225 CA LEU A 77 8.627 -9.542 4.439 1.00 0.00 C ATOM 1226 C LEU A 77 8.467 -10.468 5.641 1.00 0.00 C ATOM 1227 O LEU A 77 7.442 -11.133 5.791 1.00 0.00 O ATOM 1228 CB LEU A 77 9.541 -10.192 3.399 1.00 0.00 C ATOM 1229 CG LEU A 77 9.635 -9.480 2.049 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.722 -10.105 1.190 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.294 -9.522 1.330 1.00 0.00 C ATOM 0 H LEU A 77 10.022 -7.978 4.366 1.00 0.00 H new ATOM 0 HA LEU A 77 7.644 -9.377 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.544 -10.263 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.195 -11.211 3.226 1.00 0.00 H new ATOM 0 HG LEU A 77 9.897 -8.437 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.774 -9.585 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.682 -10.022 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.491 -11.157 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.379 -9.011 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.003 -10.559 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.539 -9.026 1.940 1.00 0.00 H new ATOM 1243 N GLN A 78 9.485 -10.502 6.494 1.00 0.00 N ATOM 1244 CA GLN A 78 9.456 -11.345 7.684 1.00 0.00 C ATOM 1245 C GLN A 78 8.106 -11.247 8.387 1.00 0.00 C ATOM 1246 O GLN A 78 7.667 -12.191 9.045 1.00 0.00 O ATOM 1247 CB GLN A 78 10.576 -10.945 8.645 1.00 0.00 C ATOM 1248 CG GLN A 78 11.943 -10.859 7.986 1.00 0.00 C ATOM 1249 CD GLN A 78 13.073 -11.197 8.938 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.844 -11.705 10.036 1.00 0.00 O ATOM 1251 NE2 GLN A 78 14.302 -10.916 8.522 1.00 0.00 N ATOM 0 H GLN A 78 10.340 -9.956 6.384 1.00 0.00 H new ATOM 0 HA GLN A 78 9.608 -12.378 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.335 -9.979 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.620 -11.668 9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.975 -11.539 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.091 -9.852 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.446 -10.495 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.102 -11.121 9.120 1.00 0.00 H new ATOM 1260 N LYS A 79 7.452 -10.099 8.245 1.00 0.00 N ATOM 1261 CA LYS A 79 6.152 -9.877 8.865 1.00 0.00 C ATOM 1262 C LYS A 79 5.022 -10.227 7.902 1.00 0.00 C ATOM 1263 O LYS A 79 4.227 -11.128 8.166 1.00 0.00 O ATOM 1264 CB LYS A 79 6.020 -8.420 9.315 1.00 0.00 C ATOM 1265 CG LYS A 79 4.619 -8.046 9.765 1.00 0.00 C ATOM 1266 CD LYS A 79 4.565 -6.626 10.301 1.00 0.00 C ATOM 1267 CE LYS A 79 3.443 -6.454 11.312 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.608 -7.358 12.484 1.00 0.00 N ATOM 0 H LYS A 79 7.802 -9.307 7.705 1.00 0.00 H new ATOM 0 HA LYS A 79 6.078 -10.528 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.716 -8.237 10.134 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.315 -7.767 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.928 -8.146 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.287 -8.740 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.518 -6.376 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.422 -5.929 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.417 -5.419 11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.486 -6.655 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.675 -7.699 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.201 -8.169 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.063 -6.839 13.262 1.00 0.00 H new ATOM 1282 N GLN A 80 4.959 -9.509 6.785 1.00 0.00 N ATOM 1283 CA GLN A 80 3.927 -9.745 5.783 1.00 0.00 C ATOM 1284 C GLN A 80 3.561 -11.224 5.717 1.00 0.00 C ATOM 1285 O GLN A 80 2.406 -11.577 5.475 1.00 0.00 O ATOM 1286 CB GLN A 80 4.400 -9.263 4.410 1.00 0.00 C ATOM 1287 CG GLN A 80 3.478 -9.671 3.272 1.00 0.00 C ATOM 1288 CD GLN A 80 4.216 -9.849 1.959 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.279 -9.265 1.747 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.654 -10.659 1.070 1.00 0.00 N ATOM 0 H GLN A 80 5.610 -8.760 6.552 1.00 0.00 H new ATOM 0 HA GLN A 80 3.040 -9.182 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.486 -8.177 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.397 -9.659 4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.977 -10.603 3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.702 -8.915 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.772 -11.122 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.104 -10.818 0.169 1.00 0.00 H new ATOM 1299 N ARG A 81 4.551 -12.084 5.933 1.00 0.00 N ATOM 1300 CA ARG A 81 4.332 -13.525 5.897 1.00 0.00 C ATOM 1301 C ARG A 81 3.820 -14.032 7.242 1.00 0.00 C ATOM 1302 O ARG A 81 2.840 -14.773 7.304 1.00 0.00 O ATOM 1303 CB ARG A 81 5.628 -14.250 5.526 1.00 0.00 C ATOM 1304 CG ARG A 81 6.752 -14.038 6.528 1.00 0.00 C ATOM 1305 CD ARG A 81 8.097 -14.451 5.951 1.00 0.00 C ATOM 1306 NE ARG A 81 9.096 -14.667 6.994 1.00 0.00 N ATOM 1307 CZ ARG A 81 10.331 -15.092 6.752 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.716 -15.346 5.509 1.00 0.00 N ATOM 1309 NH2 ARG A 81 11.183 -15.264 7.754 1.00 0.00 N ATOM 0 H ARG A 81 5.512 -11.808 6.135 1.00 0.00 H new ATOM 0 HA ARG A 81 3.577 -13.733 5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.426 -15.318 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.958 -13.908 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.787 -12.989 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.550 -14.614 7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.977 -15.365 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.449 -13.681 5.265 1.00 0.00 H new ATOM 0 HE ARG A 81 8.831 -14.481 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.063 -15.215 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.665 -15.672 5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.890 -15.070 8.712 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.131 -15.590 7.567 1.00 0.00 H new ATOM 1323 N GLU A 82 4.492 -13.627 8.315 1.00 0.00 N ATOM 1324 CA GLU A 82 4.105 -14.042 9.659 1.00 0.00 C ATOM 1325 C GLU A 82 2.611 -13.827 9.885 1.00 0.00 C ATOM 1326 O GLU A 82 1.952 -14.626 10.552 1.00 0.00 O ATOM 1327 CB GLU A 82 4.907 -13.267 10.706 1.00 0.00 C ATOM 1328 CG GLU A 82 4.223 -11.995 11.179 1.00 0.00 C ATOM 1329 CD GLU A 82 4.976 -11.312 12.304 1.00 0.00 C ATOM 1330 OE1 GLU A 82 5.499 -12.024 13.186 1.00 0.00 O ATOM 1331 OE2 GLU A 82 5.041 -10.065 12.303 1.00 0.00 O ATOM 0 H GLU A 82 5.306 -13.013 8.280 1.00 0.00 H new ATOM 0 HA GLU A 82 4.321 -15.106 9.760 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.087 -13.913 11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.881 -13.012 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.126 -11.305 10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.213 -12.233 11.514 1.00 0.00 H new ATOM 1338 N LEU A 83 2.084 -12.743 9.327 1.00 0.00 N ATOM 1339 CA LEU A 83 0.668 -12.422 9.467 1.00 0.00 C ATOM 1340 C LEU A 83 -0.181 -13.285 8.540 1.00 0.00 C ATOM 1341 O LEU A 83 -1.094 -13.979 8.987 1.00 0.00 O ATOM 1342 CB LEU A 83 0.428 -10.942 9.166 1.00 0.00 C ATOM 1343 CG LEU A 83 1.351 -9.953 9.880 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.077 -8.533 9.411 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.182 -10.060 11.389 1.00 0.00 C ATOM 0 H LEU A 83 2.616 -12.071 8.773 1.00 0.00 H new ATOM 0 HA LEU A 83 0.374 -12.630 10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.527 -10.790 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.602 -10.701 9.428 1.00 0.00 H new ATOM 0 HG LEU A 83 2.382 -10.203 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.743 -7.844 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.249 -8.465 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.042 -8.271 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.846 -9.349 11.881 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.149 -9.836 11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.429 -11.071 11.712 1.00 0.00 H new ATOM 1357 N GLN A 84 0.128 -13.239 7.248 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.606 -14.018 6.259 1.00 0.00 C ATOM 1359 C GLN A 84 -0.686 -15.484 6.671 1.00 0.00 C ATOM 1360 O GLN A 84 -1.589 -16.210 6.253 1.00 0.00 O ATOM 1361 CB GLN A 84 0.061 -13.898 4.887 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.147 -12.545 4.226 1.00 0.00 C ATOM 1363 CD GLN A 84 0.459 -12.474 2.839 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.788 -13.499 2.239 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.611 -11.262 2.320 1.00 0.00 N ATOM 0 H GLN A 84 0.882 -12.670 6.862 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.619 -13.620 6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.130 -14.080 4.995 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.330 -14.677 4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.215 -12.336 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.293 -11.768 4.851 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.325 -10.440 2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.014 -11.153 1.389 1.00 0.00 H new ATOM 1374 N LYS A 85 0.264 -15.915 7.494 1.00 0.00 N ATOM 1375 CA LYS A 85 0.301 -17.295 7.965 1.00 0.00 C ATOM 1376 C LYS A 85 -0.429 -17.435 9.297 1.00 0.00 C ATOM 1377 O LYS A 85 -1.017 -18.476 9.587 1.00 0.00 O ATOM 1378 CB LYS A 85 1.749 -17.766 8.114 1.00 0.00 C ATOM 1379 CG LYS A 85 2.468 -17.158 9.306 1.00 0.00 C ATOM 1380 CD LYS A 85 3.723 -17.938 9.658 1.00 0.00 C ATOM 1381 CE LYS A 85 3.429 -19.048 10.654 1.00 0.00 C ATOM 1382 NZ LYS A 85 2.873 -18.517 11.929 1.00 0.00 N ATOM 0 H LYS A 85 1.019 -15.328 7.849 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.204 -17.918 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.761 -18.852 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.298 -17.519 7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.732 -16.124 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.798 -17.139 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.153 -18.365 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.468 -17.261 10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.722 -19.752 10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.344 -19.603 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.105 -19.168 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.286 -17.583 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.840 -18.429 11.847 1.00 0.00 H new ATOM 1396 N ALA A 86 -0.389 -16.379 10.103 1.00 0.00 N ATOM 1397 CA ALA A 86 -1.049 -16.384 11.402 1.00 0.00 C ATOM 1398 C ALA A 86 -2.560 -16.529 11.249 1.00 0.00 C ATOM 1399 O ALA A 86 -3.193 -17.309 11.959 1.00 0.00 O ATOM 1400 CB ALA A 86 -0.714 -15.113 12.170 1.00 0.00 C ATOM 0 H ALA A 86 0.094 -15.509 9.879 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.682 -17.242 11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.214 -15.131 13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.364 -15.051 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.052 -14.246 11.603 1.00 0.00 H new ATOM 1406 N ASN A 87 -3.131 -15.771 10.319 1.00 0.00 N ATOM 1407 CA ASN A 87 -4.568 -15.815 10.074 1.00 0.00 C ATOM 1408 C ASN A 87 -4.863 -16.233 8.637 1.00 0.00 C ATOM 1409 O ASN A 87 -4.846 -15.407 7.725 1.00 0.00 O ATOM 1410 CB ASN A 87 -5.197 -14.449 10.359 1.00 0.00 C ATOM 1411 CG ASN A 87 -4.739 -13.866 11.682 1.00 0.00 C ATOM 1412 OD1 ASN A 87 -5.173 -14.303 12.748 1.00 0.00 O ATOM 1413 ND2 ASN A 87 -3.858 -12.875 11.618 1.00 0.00 N ATOM 0 H ASN A 87 -2.621 -15.119 9.723 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.003 -16.556 10.745 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.942 -13.760 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.283 -14.546 10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.513 -12.443 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.526 -12.545 10.712 1.00 0.00 H new ATOM 1420 N GLN A 88 -5.133 -17.520 8.444 1.00 0.00 N ATOM 1421 CA GLN A 88 -5.431 -18.048 7.118 1.00 0.00 C ATOM 1422 C GLN A 88 -6.906 -17.864 6.779 1.00 0.00 C ATOM 1423 O GLN A 88 -7.249 -17.375 5.703 1.00 0.00 O ATOM 1424 CB GLN A 88 -5.057 -19.529 7.040 1.00 0.00 C ATOM 1425 CG GLN A 88 -3.566 -19.789 7.183 1.00 0.00 C ATOM 1426 CD GLN A 88 -3.262 -21.195 7.659 1.00 0.00 C ATOM 1427 OE1 GLN A 88 -4.115 -21.862 8.246 1.00 0.00 O ATOM 1428 NE2 GLN A 88 -2.042 -21.655 7.409 1.00 0.00 N ATOM 0 H GLN A 88 -5.152 -18.216 9.189 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.838 -17.493 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.588 -20.071 7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.398 -19.931 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.078 -19.621 6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.142 -19.072 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.366 -21.068 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.781 -22.595 7.706 1.00 0.00 H new ATOM 1437 N GLU A 89 -7.775 -18.261 7.703 1.00 0.00 N ATOM 1438 CA GLU A 89 -9.214 -18.141 7.500 1.00 0.00 C ATOM 1439 C GLU A 89 -9.595 -16.709 7.137 1.00 0.00 C ATOM 1440 O GLU A 89 -10.387 -16.479 6.224 1.00 0.00 O ATOM 1441 CB GLU A 89 -9.967 -18.577 8.758 1.00 0.00 C ATOM 1442 CG GLU A 89 -10.093 -20.085 8.901 1.00 0.00 C ATOM 1443 CD GLU A 89 -10.896 -20.491 10.121 1.00 0.00 C ATOM 1444 OE1 GLU A 89 -10.457 -20.184 11.250 1.00 0.00 O ATOM 1445 OE2 GLU A 89 -11.964 -21.115 9.948 1.00 0.00 O ATOM 0 H GLU A 89 -7.508 -18.668 8.599 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.494 -18.794 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.455 -18.179 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.964 -18.137 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.566 -20.492 8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.098 -20.525 8.963 1.00 0.00 H new ATOM 1452 N GLN A 90 -9.025 -15.750 7.860 1.00 0.00 N ATOM 1453 CA GLN A 90 -9.305 -14.340 7.615 1.00 0.00 C ATOM 1454 C GLN A 90 -8.817 -13.920 6.232 1.00 0.00 C ATOM 1455 O GLN A 90 -9.537 -13.260 5.483 1.00 0.00 O ATOM 1456 CB GLN A 90 -8.644 -13.473 8.687 1.00 0.00 C ATOM 1457 CG GLN A 90 -9.508 -13.266 9.921 1.00 0.00 C ATOM 1458 CD GLN A 90 -8.791 -12.498 11.014 1.00 0.00 C ATOM 1459 OE1 GLN A 90 -8.918 -11.278 11.117 1.00 0.00 O ATOM 1460 NE2 GLN A 90 -8.032 -13.211 11.838 1.00 0.00 N ATOM 0 H GLN A 90 -8.367 -15.924 8.620 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.385 -14.198 7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.703 -13.934 8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -8.400 -12.501 8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.414 -12.729 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.820 -14.236 10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.956 -14.221 11.716 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.525 -12.749 12.593 1.00 0.00 H new ATOM 1469 N TYR A 91 -7.591 -14.307 5.901 1.00 0.00 N ATOM 1470 CA TYR A 91 -7.005 -13.968 4.609 1.00 0.00 C ATOM 1471 C TYR A 91 -7.833 -14.549 3.467 1.00 0.00 C ATOM 1472 O TYR A 91 -8.165 -13.851 2.510 1.00 0.00 O ATOM 1473 CB TYR A 91 -5.567 -14.485 4.526 1.00 0.00 C ATOM 1474 CG TYR A 91 -4.692 -13.690 3.583 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -4.081 -12.513 3.996 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -4.476 -14.118 2.279 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -3.282 -11.784 3.137 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -3.677 -13.396 1.414 1.00 0.00 C ATOM 1479 CZ TYR A 91 -3.082 -12.230 1.848 1.00 0.00 C ATOM 1480 OH TYR A 91 -2.285 -11.507 0.990 1.00 0.00 O ATOM 0 H TYR A 91 -6.983 -14.856 6.509 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.999 -12.882 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.125 -14.466 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -5.582 -15.526 4.204 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.233 -12.162 5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.941 -15.031 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.816 -10.869 3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.519 -13.743 0.403 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.247 -11.958 0.121 1.00 0.00 H new ATOM 1490 N ALA A 92 -8.162 -15.832 3.576 1.00 0.00 N ATOM 1491 CA ALA A 92 -8.953 -16.507 2.555 1.00 0.00 C ATOM 1492 C ALA A 92 -10.258 -15.764 2.290 1.00 0.00 C ATOM 1493 O ALA A 92 -10.647 -15.566 1.140 1.00 0.00 O ATOM 1494 CB ALA A 92 -9.236 -17.943 2.970 1.00 0.00 C ATOM 0 H ALA A 92 -7.893 -16.425 4.361 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.376 -16.515 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.828 -18.435 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.294 -18.476 3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.789 -17.948 3.909 1.00 0.00 H new ATOM 1500 N GLU A 93 -10.928 -15.355 3.363 1.00 0.00 N ATOM 1501 CA GLU A 93 -12.191 -14.634 3.245 1.00 0.00 C ATOM 1502 C GLU A 93 -12.119 -13.590 2.134 1.00 0.00 C ATOM 1503 O GLU A 93 -11.536 -12.521 2.309 1.00 0.00 O ATOM 1504 CB GLU A 93 -12.545 -13.960 4.572 1.00 0.00 C ATOM 1505 CG GLU A 93 -13.783 -13.082 4.497 1.00 0.00 C ATOM 1506 CD GLU A 93 -14.263 -12.634 5.864 1.00 0.00 C ATOM 1507 OE1 GLU A 93 -13.615 -11.748 6.459 1.00 0.00 O ATOM 1508 OE2 GLU A 93 -15.286 -13.170 6.339 1.00 0.00 O ATOM 0 H GLU A 93 -10.618 -15.510 4.322 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.969 -15.354 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.700 -14.728 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.700 -13.355 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.566 -12.205 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.582 -13.629 3.996 1.00 0.00 H new ATOM 1515 N GLY A 94 -12.718 -13.909 0.991 1.00 0.00 N ATOM 1516 CA GLY A 94 -12.711 -12.989 -0.132 1.00 0.00 C ATOM 1517 C GLY A 94 -12.117 -13.606 -1.383 1.00 0.00 C ATOM 1518 O GLY A 94 -12.643 -13.428 -2.482 1.00 0.00 O ATOM 0 H GLY A 94 -13.208 -14.788 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.731 -12.666 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.142 -12.098 0.135 1.00 0.00 H new ATOM 1522 N LYS A 95 -11.018 -14.333 -1.217 1.00 0.00 N ATOM 1523 CA LYS A 95 -10.351 -14.979 -2.342 1.00 0.00 C ATOM 1524 C LYS A 95 -11.180 -16.145 -2.870 1.00 0.00 C ATOM 1525 O LYS A 95 -11.449 -17.105 -2.148 1.00 0.00 O ATOM 1526 CB LYS A 95 -8.964 -15.474 -1.923 1.00 0.00 C ATOM 1527 CG LYS A 95 -7.900 -14.391 -1.944 1.00 0.00 C ATOM 1528 CD LYS A 95 -6.564 -14.911 -1.440 1.00 0.00 C ATOM 1529 CE LYS A 95 -5.403 -14.117 -2.017 1.00 0.00 C ATOM 1530 NZ LYS A 95 -5.054 -14.566 -3.393 1.00 0.00 N ATOM 0 H LYS A 95 -10.570 -14.490 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.243 -14.243 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.025 -15.892 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.660 -16.283 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.784 -14.013 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.221 -13.552 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.538 -14.856 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.457 -15.962 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.661 -13.058 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.533 -14.223 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.258 -14.000 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.784 -15.570 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.876 -14.442 -4.018 1.00 0.00 H new ATOM 1544 N MET A 96 -11.581 -16.056 -4.134 1.00 0.00 N ATOM 1545 CA MET A 96 -12.377 -17.106 -4.758 1.00 0.00 C ATOM 1546 C MET A 96 -11.862 -18.486 -4.364 1.00 0.00 C ATOM 1547 O MET A 96 -12.603 -19.301 -3.814 1.00 0.00 O ATOM 1548 CB MET A 96 -12.354 -16.955 -6.281 1.00 0.00 C ATOM 1549 CG MET A 96 -13.278 -15.864 -6.798 1.00 0.00 C ATOM 1550 SD MET A 96 -13.248 -15.722 -8.595 1.00 0.00 S ATOM 1551 CE MET A 96 -11.926 -14.535 -8.819 1.00 0.00 C ATOM 0 H MET A 96 -11.368 -15.268 -4.746 1.00 0.00 H new ATOM 0 HA MET A 96 -13.404 -17.008 -4.405 1.00 0.00 H new ATOM 0 HB2 MET A 96 -11.335 -16.738 -6.601 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.636 -17.904 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 96 -14.297 -16.071 -6.471 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.989 -14.910 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.786 -14.343 -9.883 1.00 0.00 H new ATOM 0 HE2 MET A 96 -12.183 -13.605 -8.313 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.003 -14.934 -8.398 1.00 0.00 H new ATOM 1561 N ARG A 97 -10.589 -18.742 -4.650 1.00 0.00 N ATOM 1562 CA ARG A 97 -9.976 -20.024 -4.326 1.00 0.00 C ATOM 1563 C ARG A 97 -9.124 -19.917 -3.065 1.00 0.00 C ATOM 1564 O ARG A 97 -8.325 -18.993 -2.920 1.00 0.00 O ATOM 1565 CB ARG A 97 -9.118 -20.512 -5.494 1.00 0.00 C ATOM 1566 CG ARG A 97 -8.282 -21.738 -5.165 1.00 0.00 C ATOM 1567 CD ARG A 97 -7.836 -22.463 -6.425 1.00 0.00 C ATOM 1568 NE ARG A 97 -6.730 -23.381 -6.166 1.00 0.00 N ATOM 1569 CZ ARG A 97 -5.470 -22.989 -6.010 1.00 0.00 C ATOM 1570 NH1 ARG A 97 -5.159 -21.702 -6.085 1.00 0.00 N ATOM 1571 NH2 ARG A 97 -4.519 -23.884 -5.777 1.00 0.00 N ATOM 0 H ARG A 97 -9.963 -18.078 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 97 -10.774 -20.744 -4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.767 -20.741 -6.339 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.456 -19.705 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.407 -21.439 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.861 -22.417 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.677 -23.017 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.533 -21.733 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.936 -24.378 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.888 -21.011 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.191 -21.403 -5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.755 -24.875 -5.717 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.552 -23.582 -5.657 1.00 0.00 H new ATOM 1585 N GLY A 98 -9.302 -20.869 -2.154 1.00 0.00 N ATOM 1586 CA GLY A 98 -8.543 -20.863 -0.917 1.00 0.00 C ATOM 1587 C GLY A 98 -8.702 -22.151 -0.133 1.00 0.00 C ATOM 1588 O GLY A 98 -9.807 -22.679 -0.011 1.00 0.00 O ATOM 0 H GLY A 98 -9.958 -21.644 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.488 -20.706 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.865 -20.024 -0.301 1.00 0.00 H new ATOM 1592 N ALA A 99 -7.595 -22.658 0.399 1.00 0.00 N ATOM 1593 CA ALA A 99 -7.616 -23.892 1.175 1.00 0.00 C ATOM 1594 C ALA A 99 -6.245 -24.186 1.775 1.00 0.00 C ATOM 1595 O ALA A 99 -5.240 -23.607 1.364 1.00 0.00 O ATOM 1596 CB ALA A 99 -8.076 -25.053 0.307 1.00 0.00 C ATOM 0 H ALA A 99 -6.672 -22.233 0.307 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.322 -23.765 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.087 -25.968 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.079 -24.852 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.392 -25.173 -0.533 1.00 0.00 H new ATOM 1602 N ALA A 100 -6.212 -25.090 2.748 1.00 0.00 N ATOM 1603 CA ALA A 100 -4.964 -25.463 3.403 1.00 0.00 C ATOM 1604 C ALA A 100 -4.389 -26.741 2.802 1.00 0.00 C ATOM 1605 O ALA A 100 -3.592 -27.433 3.437 1.00 0.00 O ATOM 1606 CB ALA A 100 -5.184 -25.634 4.899 1.00 0.00 C ATOM 0 H ALA A 100 -7.035 -25.578 3.100 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.244 -24.661 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.244 -25.912 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.542 -24.696 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.924 -26.416 5.071 1.00 0.00 H new TER 1612 ALA A 100