USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 717 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 45 THR OG1 : rot 180:sc=-0.000643 USER MOD Set 1.2: A 48 SER OG : rot -3:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 1.15 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 CYS SG : rot 26:sc= 0.0259 USER MOD Single : A 9 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 10 THR OG1 : rot -120:sc= -0.682 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 0:sc= -0.345 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -2.4! USER MOD Single : A 28 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.9!) USER MOD Single : A 34 SER OG : rot 37:sc= -2.92! USER MOD Single : A 36 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.8!) USER MOD Single : A 37 CYS SG : rot 98:sc= 0.311 USER MOD Single : A 40 LYS NZ :NH3+ -142:sc=-0.00764 (180deg=-0.497) USER MOD Single : A 43 SER OG : rot 18:sc= 1.06 USER MOD Single : A 47 CYS SG : rot 60:sc= 0.0905 USER MOD Single : A 55 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0.291 X(o=0.29,f=-0.14) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.0338 K(o=0.034,f=-0.78) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 144:sc= -3.56! (180deg=-5.05!) USER MOD Single : A 68 ASN : amide:sc= -4.53! C(o=-4.5!,f=-7.5!) USER MOD Single : A 74 ASN : amide:sc= -2.37 K(o=-2.4,f=-5!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc=-0.00711 K(o=-0.0071,f=-0.56) USER MOD Single : A 88 CYS SG : rot 54:sc= -0.0576 USER MOD Single : A 90 THR OG1 : rot -1:sc= 0.507 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 21:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.222 38.219 3.554 1.00 0.00 N ATOM 2 CA GLY A 1 11.991 38.818 2.252 1.00 0.00 C ATOM 3 C GLY A 1 12.447 37.926 1.115 1.00 0.00 C ATOM 4 O GLY A 1 13.216 38.352 0.253 1.00 0.00 O ATOM 0 H1 GLY A 1 11.893 38.868 4.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.700 37.322 3.621 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.239 38.038 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.929 39.033 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.517 39.771 2.195 1.00 0.00 H new ATOM 8 N SER A 2 11.972 36.685 1.112 1.00 0.00 N ATOM 9 CA SER A 2 12.340 35.728 0.074 1.00 0.00 C ATOM 10 C SER A 2 11.360 34.559 0.041 1.00 0.00 C ATOM 11 O SER A 2 10.754 34.214 1.055 1.00 0.00 O ATOM 12 CB SER A 2 13.761 35.212 0.307 1.00 0.00 C ATOM 13 OG SER A 2 14.724 36.164 -0.109 1.00 0.00 O ATOM 0 H SER A 2 11.332 36.318 1.816 1.00 0.00 H new ATOM 0 HA SER A 2 12.301 36.239 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.901 34.987 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.907 34.280 -0.239 1.00 0.00 H new ATOM 0 HG SER A 2 14.281 37.019 -0.292 1.00 0.00 H new ATOM 19 N SER A 3 11.211 33.953 -1.132 1.00 0.00 N ATOM 20 CA SER A 3 10.303 32.824 -1.300 1.00 0.00 C ATOM 21 C SER A 3 11.033 31.622 -1.890 1.00 0.00 C ATOM 22 O SER A 3 11.758 31.744 -2.876 1.00 0.00 O ATOM 23 CB SER A 3 9.131 33.216 -2.202 1.00 0.00 C ATOM 24 OG SER A 3 8.147 32.196 -2.230 1.00 0.00 O ATOM 0 H SER A 3 11.707 34.225 -1.981 1.00 0.00 H new ATOM 0 HA SER A 3 9.921 32.548 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.687 34.145 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.493 33.405 -3.213 1.00 0.00 H new ATOM 0 HG SER A 3 7.408 32.471 -2.812 1.00 0.00 H new ATOM 30 N GLY A 4 10.837 30.459 -1.276 1.00 0.00 N ATOM 31 CA GLY A 4 11.483 29.250 -1.753 1.00 0.00 C ATOM 32 C GLY A 4 10.531 28.072 -1.822 1.00 0.00 C ATOM 33 O GLY A 4 9.716 27.870 -0.922 1.00 0.00 O ATOM 0 H GLY A 4 10.242 30.333 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.903 29.432 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.315 29.002 -1.094 1.00 0.00 H new ATOM 37 N SER A 5 10.633 27.292 -2.894 1.00 0.00 N ATOM 38 CA SER A 5 9.771 26.131 -3.079 1.00 0.00 C ATOM 39 C SER A 5 10.301 24.931 -2.300 1.00 0.00 C ATOM 40 O SER A 5 11.390 24.979 -1.730 1.00 0.00 O ATOM 41 CB SER A 5 9.663 25.782 -4.565 1.00 0.00 C ATOM 42 OG SER A 5 8.493 25.027 -4.827 1.00 0.00 O ATOM 0 H SER A 5 11.304 27.443 -3.647 1.00 0.00 H new ATOM 0 HA SER A 5 8.780 26.380 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.649 26.697 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.542 25.216 -4.874 1.00 0.00 H new ATOM 0 HG SER A 5 8.446 24.818 -5.783 1.00 0.00 H new ATOM 48 N SER A 6 9.521 23.855 -2.282 1.00 0.00 N ATOM 49 CA SER A 6 9.909 22.642 -1.571 1.00 0.00 C ATOM 50 C SER A 6 9.486 21.398 -2.347 1.00 0.00 C ATOM 51 O SER A 6 8.713 21.481 -3.300 1.00 0.00 O ATOM 52 CB SER A 6 9.284 22.623 -0.174 1.00 0.00 C ATOM 53 OG SER A 6 9.627 23.789 0.554 1.00 0.00 O ATOM 0 H SER A 6 8.617 23.798 -2.751 1.00 0.00 H new ATOM 0 HA SER A 6 10.995 22.637 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.200 22.549 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.623 21.740 0.367 1.00 0.00 H new ATOM 0 HG SER A 6 9.214 23.753 1.442 1.00 0.00 H new ATOM 59 N GLY A 7 10.001 20.245 -1.930 1.00 0.00 N ATOM 60 CA GLY A 7 9.667 19.000 -2.596 1.00 0.00 C ATOM 61 C GLY A 7 9.887 17.791 -1.709 1.00 0.00 C ATOM 62 O GLY A 7 10.800 16.998 -1.944 1.00 0.00 O ATOM 0 H GLY A 7 10.643 20.151 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.624 19.029 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.272 18.900 -3.497 1.00 0.00 H new ATOM 66 N CYS A 8 9.051 17.649 -0.687 1.00 0.00 N ATOM 67 CA CYS A 8 9.160 16.529 0.241 1.00 0.00 C ATOM 68 C CYS A 8 8.042 15.518 0.005 1.00 0.00 C ATOM 69 O CYS A 8 6.912 15.889 -0.314 1.00 0.00 O ATOM 70 CB CYS A 8 9.115 17.029 1.685 1.00 0.00 C ATOM 71 SG CYS A 8 7.603 17.925 2.110 1.00 0.00 S ATOM 0 H CYS A 8 8.290 18.296 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 8 10.116 16.035 0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.220 16.177 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.972 17.680 1.859 1.00 0.00 H new ATOM 0 HG CYS A 8 6.633 17.529 1.340 1.00 0.00 H new ATOM 77 N HIS A 9 8.366 14.238 0.163 1.00 0.00 N ATOM 78 CA HIS A 9 7.389 13.173 -0.033 1.00 0.00 C ATOM 79 C HIS A 9 6.478 13.040 1.183 1.00 0.00 C ATOM 80 O HIS A 9 6.677 13.709 2.198 1.00 0.00 O ATOM 81 CB HIS A 9 8.098 11.845 -0.300 1.00 0.00 C ATOM 82 CG HIS A 9 8.359 11.586 -1.752 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.238 12.336 -2.505 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.850 10.653 -2.590 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.258 11.876 -3.743 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.425 10.854 -3.821 1.00 0.00 N ATOM 0 H HIS A 9 9.297 13.914 0.426 1.00 0.00 H new ATOM 0 HA HIS A 9 6.777 13.431 -0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.046 11.834 0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.493 11.032 0.102 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.126 9.892 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.854 12.269 -4.554 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.239 10.303 -4.659 1.00 0.00 H new ATOM 94 N THR A 10 5.475 12.174 1.074 1.00 0.00 N ATOM 95 CA THR A 10 4.532 11.955 2.163 1.00 0.00 C ATOM 96 C THR A 10 4.265 10.469 2.370 1.00 0.00 C ATOM 97 O THR A 10 3.655 9.814 1.524 1.00 0.00 O ATOM 98 CB THR A 10 3.195 12.674 1.901 1.00 0.00 C ATOM 99 OG1 THR A 10 3.418 14.077 1.725 1.00 0.00 O ATOM 100 CG2 THR A 10 2.225 12.450 3.052 1.00 0.00 C ATOM 0 H THR A 10 5.295 11.613 0.242 1.00 0.00 H new ATOM 0 HA THR A 10 4.988 12.367 3.063 1.00 0.00 H new ATOM 0 HB THR A 10 2.758 12.260 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.922 14.575 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.288 12.967 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.033 11.383 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.658 12.839 3.974 1.00 0.00 H new ATOM 108 N LEU A 11 4.725 9.941 3.499 1.00 0.00 N ATOM 109 CA LEU A 11 4.535 8.530 3.818 1.00 0.00 C ATOM 110 C LEU A 11 3.288 8.328 4.672 1.00 0.00 C ATOM 111 O LEU A 11 2.971 9.151 5.531 1.00 0.00 O ATOM 112 CB LEU A 11 5.763 7.983 4.548 1.00 0.00 C ATOM 113 CG LEU A 11 7.074 7.998 3.762 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.255 8.200 4.699 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.235 6.710 2.968 1.00 0.00 C ATOM 0 H LEU A 11 5.232 10.469 4.209 1.00 0.00 H new ATOM 0 HA LEU A 11 4.403 7.985 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.904 8.560 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.555 6.956 4.848 1.00 0.00 H new ATOM 0 HG LEU A 11 7.046 8.832 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.180 8.208 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.146 9.150 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.287 7.387 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.174 6.739 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.242 5.860 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.405 6.607 2.269 1.00 0.00 H new ATOM 127 N LEU A 12 2.585 7.227 4.431 1.00 0.00 N ATOM 128 CA LEU A 12 1.373 6.914 5.180 1.00 0.00 C ATOM 129 C LEU A 12 1.594 5.715 6.098 1.00 0.00 C ATOM 130 O LEU A 12 2.460 4.878 5.844 1.00 0.00 O ATOM 131 CB LEU A 12 0.216 6.630 4.221 1.00 0.00 C ATOM 132 CG LEU A 12 -0.427 7.853 3.565 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.695 7.456 2.825 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.726 8.921 4.606 1.00 0.00 C ATOM 0 H LEU A 12 2.833 6.536 3.723 1.00 0.00 H new ATOM 0 HA LEU A 12 1.123 7.778 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.577 5.968 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.556 6.087 4.766 1.00 0.00 H new ATOM 0 HG LEU A 12 0.276 8.266 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.139 8.339 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.452 6.727 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.404 7.018 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.183 9.784 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.411 8.519 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.201 9.226 5.091 1.00 0.00 H new ATOM 146 N TYR A 13 0.804 5.639 7.163 1.00 0.00 N ATOM 147 CA TYR A 13 0.913 4.543 8.118 1.00 0.00 C ATOM 148 C TYR A 13 -0.433 3.849 8.307 1.00 0.00 C ATOM 149 O TYR A 13 -1.394 4.453 8.784 1.00 0.00 O ATOM 150 CB TYR A 13 1.427 5.060 9.463 1.00 0.00 C ATOM 151 CG TYR A 13 2.768 5.752 9.374 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.713 5.360 8.433 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.090 6.798 10.229 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.939 5.990 8.348 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.314 7.434 10.151 1.00 0.00 C ATOM 156 CZ TYR A 13 5.235 7.026 9.209 1.00 0.00 C ATOM 157 OH TYR A 13 6.456 7.656 9.127 1.00 0.00 O ATOM 0 H TYR A 13 0.081 6.323 7.387 1.00 0.00 H new ATOM 0 HA TYR A 13 1.622 3.817 7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.697 5.754 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.505 4.224 10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.485 4.549 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.371 7.120 10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.662 5.673 7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.548 8.246 10.824 1.00 0.00 H new ATOM 0 HH TYR A 13 6.505 8.364 9.803 1.00 0.00 H new ATOM 167 N VAL A 14 -0.493 2.576 7.930 1.00 0.00 N ATOM 168 CA VAL A 14 -1.719 1.798 8.059 1.00 0.00 C ATOM 169 C VAL A 14 -1.650 0.858 9.258 1.00 0.00 C ATOM 170 O VAL A 14 -0.579 0.366 9.613 1.00 0.00 O ATOM 171 CB VAL A 14 -1.996 0.972 6.789 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.354 0.292 6.879 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.915 1.855 5.552 1.00 0.00 C ATOM 0 H VAL A 14 0.293 2.062 7.533 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.531 2.510 8.205 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.233 0.198 6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.532 -0.287 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.372 -0.372 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.133 1.047 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.113 1.256 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.655 2.652 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.918 2.291 5.481 1.00 0.00 H new ATOM 183 N TYR A 15 -2.799 0.612 9.876 1.00 0.00 N ATOM 184 CA TYR A 15 -2.870 -0.268 11.037 1.00 0.00 C ATOM 185 C TYR A 15 -4.120 -1.139 10.985 1.00 0.00 C ATOM 186 O TYR A 15 -4.962 -0.984 10.101 1.00 0.00 O ATOM 187 CB TYR A 15 -2.860 0.554 12.327 1.00 0.00 C ATOM 188 CG TYR A 15 -1.713 1.535 12.413 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.798 2.787 11.817 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.544 1.209 13.089 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.752 3.686 11.892 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.507 2.103 13.171 1.00 0.00 C ATOM 193 CZ TYR A 15 0.398 3.339 12.570 1.00 0.00 C ATOM 194 OH TYR A 15 1.442 4.232 12.648 1.00 0.00 O ATOM 0 H TYR A 15 -3.695 1.009 9.593 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.996 -0.919 11.022 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.800 1.100 12.407 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.811 -0.124 13.179 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.697 3.062 11.286 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.455 0.240 13.558 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.834 4.655 11.422 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.408 1.835 13.703 1.00 0.00 H new ATOM 0 HH TYR A 15 1.204 5.056 12.173 1.00 0.00 H new ATOM 204 N ASN A 16 -4.235 -2.057 11.940 1.00 0.00 N ATOM 205 CA ASN A 16 -5.382 -2.955 12.004 1.00 0.00 C ATOM 206 C ASN A 16 -5.499 -3.780 10.726 1.00 0.00 C ATOM 207 O ASN A 16 -6.547 -3.797 10.079 1.00 0.00 O ATOM 208 CB ASN A 16 -6.668 -2.157 12.228 1.00 0.00 C ATOM 209 CG ASN A 16 -6.941 -1.902 13.698 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.045 -1.521 14.451 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.185 -2.112 14.114 1.00 0.00 N ATOM 0 H ASN A 16 -3.547 -2.198 12.680 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.233 -3.635 12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.597 -1.204 11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.509 -2.698 11.794 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.429 -1.957 15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.897 -2.428 13.455 1.00 0.00 H new ATOM 218 N LEU A 17 -4.418 -4.464 10.369 1.00 0.00 N ATOM 219 CA LEU A 17 -4.398 -5.293 9.169 1.00 0.00 C ATOM 220 C LEU A 17 -4.740 -6.742 9.502 1.00 0.00 C ATOM 221 O LEU A 17 -4.401 -7.256 10.569 1.00 0.00 O ATOM 222 CB LEU A 17 -3.025 -5.222 8.498 1.00 0.00 C ATOM 223 CG LEU A 17 -2.677 -3.896 7.821 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.176 -3.656 7.858 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.186 -3.880 6.387 1.00 0.00 C ATOM 0 H LEU A 17 -3.543 -4.461 10.894 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.152 -4.910 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.264 -5.434 9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.966 -6.014 7.752 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.167 -3.091 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.947 -2.708 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.838 -3.623 8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.665 -4.465 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.930 -2.929 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.725 -4.694 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.269 -4.005 6.384 1.00 0.00 H new ATOM 237 N PRO A 18 -5.425 -7.419 8.569 1.00 0.00 N ATOM 238 CA PRO A 18 -5.825 -8.818 8.739 1.00 0.00 C ATOM 239 C PRO A 18 -4.635 -9.771 8.696 1.00 0.00 C ATOM 240 O PRO A 18 -4.335 -10.357 7.657 1.00 0.00 O ATOM 241 CB PRO A 18 -6.754 -9.070 7.549 1.00 0.00 C ATOM 242 CG PRO A 18 -6.325 -8.084 6.518 1.00 0.00 C ATOM 243 CD PRO A 18 -5.862 -6.869 7.274 1.00 0.00 C ATOM 0 HA PRO A 18 -6.294 -8.992 9.707 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.660 -10.092 7.183 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.799 -8.925 7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.523 -8.489 5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.149 -7.836 5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.048 -6.361 6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.665 -6.142 7.397 1.00 0.00 H new ATOM 251 N ALA A 19 -3.960 -9.920 9.831 1.00 0.00 N ATOM 252 CA ALA A 19 -2.804 -10.803 9.923 1.00 0.00 C ATOM 253 C ALA A 19 -3.086 -12.146 9.258 1.00 0.00 C ATOM 254 O ALA A 19 -2.337 -12.587 8.388 1.00 0.00 O ATOM 255 CB ALA A 19 -2.408 -11.004 11.378 1.00 0.00 C ATOM 0 H ALA A 19 -4.194 -9.440 10.700 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.975 -10.333 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.543 -11.666 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.156 -10.041 11.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.240 -11.449 11.923 1.00 0.00 H new ATOM 261 N ASN A 20 -4.170 -12.792 9.675 1.00 0.00 N ATOM 262 CA ASN A 20 -4.549 -14.086 9.121 1.00 0.00 C ATOM 263 C ASN A 20 -4.330 -14.117 7.611 1.00 0.00 C ATOM 264 O ASN A 20 -3.818 -15.094 7.066 1.00 0.00 O ATOM 265 CB ASN A 20 -6.014 -14.392 9.441 1.00 0.00 C ATOM 266 CG ASN A 20 -6.180 -15.085 10.780 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.988 -16.296 10.892 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.539 -14.318 11.802 1.00 0.00 N ATOM 0 H ASN A 20 -4.801 -12.440 10.395 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.917 -14.848 9.578 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.585 -13.463 9.442 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.431 -15.021 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.667 -14.728 12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.687 -13.319 11.662 1.00 0.00 H new ATOM 275 N LYS A 21 -4.722 -13.038 6.940 1.00 0.00 N ATOM 276 CA LYS A 21 -4.567 -12.939 5.494 1.00 0.00 C ATOM 277 C LYS A 21 -3.094 -12.855 5.109 1.00 0.00 C ATOM 278 O LYS A 21 -2.448 -11.825 5.306 1.00 0.00 O ATOM 279 CB LYS A 21 -5.315 -11.713 4.964 1.00 0.00 C ATOM 280 CG LYS A 21 -6.803 -11.730 5.268 1.00 0.00 C ATOM 281 CD LYS A 21 -7.590 -12.413 4.163 1.00 0.00 C ATOM 282 CE LYS A 21 -7.160 -13.861 3.986 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.157 -14.644 3.203 1.00 0.00 N ATOM 0 H LYS A 21 -5.149 -12.220 7.375 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.990 -13.838 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.875 -10.814 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.174 -11.650 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.976 -12.246 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.161 -10.708 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.654 -12.374 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.448 -11.873 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.195 -13.894 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.024 -14.322 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.827 -15.625 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.072 -14.634 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.268 -14.220 2.260 1.00 0.00 H new ATOM 297 N ASP A 22 -2.568 -13.943 4.557 1.00 0.00 N ATOM 298 CA ASP A 22 -1.171 -13.991 4.142 1.00 0.00 C ATOM 299 C ASP A 22 -0.728 -12.649 3.568 1.00 0.00 C ATOM 300 O ASP A 22 -1.318 -12.146 2.613 1.00 0.00 O ATOM 301 CB ASP A 22 -0.963 -15.097 3.106 1.00 0.00 C ATOM 302 CG ASP A 22 -1.934 -14.994 1.946 1.00 0.00 C ATOM 303 OD1 ASP A 22 -3.097 -15.420 2.108 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.532 -14.489 0.877 1.00 0.00 O ATOM 0 H ASP A 22 -3.088 -14.804 4.387 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.563 -14.208 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.058 -15.048 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.078 -16.068 3.587 1.00 0.00 H new ATOM 309 N GLY A 23 0.315 -12.073 4.158 1.00 0.00 N ATOM 310 CA GLY A 23 0.818 -10.794 3.693 1.00 0.00 C ATOM 311 C GLY A 23 0.759 -10.662 2.184 1.00 0.00 C ATOM 312 O GLY A 23 0.273 -9.660 1.659 1.00 0.00 O ATOM 0 H GLY A 23 0.821 -12.470 4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.237 -9.992 4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.849 -10.670 4.026 1.00 0.00 H new ATOM 316 N LYS A 24 1.257 -11.675 1.483 1.00 0.00 N ATOM 317 CA LYS A 24 1.261 -11.669 0.025 1.00 0.00 C ATOM 318 C LYS A 24 -0.063 -11.141 -0.520 1.00 0.00 C ATOM 319 O LYS A 24 -0.084 -10.326 -1.442 1.00 0.00 O ATOM 320 CB LYS A 24 1.518 -13.079 -0.510 1.00 0.00 C ATOM 321 CG LYS A 24 2.992 -13.407 -0.676 1.00 0.00 C ATOM 322 CD LYS A 24 3.192 -14.721 -1.412 1.00 0.00 C ATOM 323 CE LYS A 24 4.641 -15.178 -1.354 1.00 0.00 C ATOM 324 NZ LYS A 24 5.536 -14.285 -2.142 1.00 0.00 N ATOM 0 H LYS A 24 1.664 -12.512 1.902 1.00 0.00 H new ATOM 0 HA LYS A 24 2.061 -11.008 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.067 -13.804 0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.019 -13.190 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.485 -12.604 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.466 -13.462 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.551 -15.486 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.887 -14.607 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.973 -15.201 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.716 -16.196 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.515 -14.630 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.235 -14.282 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.484 -13.318 -1.762 1.00 0.00 H new ATOM 338 N SER A 25 -1.164 -11.609 0.058 1.00 0.00 N ATOM 339 CA SER A 25 -2.492 -11.186 -0.372 1.00 0.00 C ATOM 340 C SER A 25 -2.772 -9.751 0.066 1.00 0.00 C ATOM 341 O SER A 25 -3.176 -8.912 -0.739 1.00 0.00 O ATOM 342 CB SER A 25 -3.559 -12.122 0.198 1.00 0.00 C ATOM 343 OG SER A 25 -4.720 -12.126 -0.614 1.00 0.00 O ATOM 0 H SER A 25 -1.163 -12.281 0.825 1.00 0.00 H new ATOM 0 HA SER A 25 -2.526 -11.230 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.159 -13.133 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.820 -11.809 1.209 1.00 0.00 H new ATOM 0 HG SER A 25 -5.386 -12.733 -0.229 1.00 0.00 H new ATOM 349 N VAL A 26 -2.556 -9.477 1.348 1.00 0.00 N ATOM 350 CA VAL A 26 -2.783 -8.145 1.895 1.00 0.00 C ATOM 351 C VAL A 26 -2.136 -7.075 1.023 1.00 0.00 C ATOM 352 O VAL A 26 -2.824 -6.303 0.356 1.00 0.00 O ATOM 353 CB VAL A 26 -2.234 -8.025 3.329 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.439 -6.616 3.863 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.893 -9.050 4.239 1.00 0.00 C ATOM 0 H VAL A 26 -2.224 -10.161 2.028 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.862 -7.991 1.914 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.163 -8.227 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.045 -6.550 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.916 -5.905 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.503 -6.381 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.493 -8.951 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.970 -8.882 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.689 -10.053 3.865 1.00 0.00 H new ATOM 365 N SER A 27 -0.807 -7.037 1.032 1.00 0.00 N ATOM 366 CA SER A 27 -0.065 -6.059 0.244 1.00 0.00 C ATOM 367 C SER A 27 -0.784 -5.760 -1.068 1.00 0.00 C ATOM 368 O SER A 27 -1.326 -4.673 -1.257 1.00 0.00 O ATOM 369 CB SER A 27 1.349 -6.570 -0.040 1.00 0.00 C ATOM 370 OG SER A 27 2.248 -5.494 -0.246 1.00 0.00 O ATOM 0 H SER A 27 -0.222 -7.672 1.576 1.00 0.00 H new ATOM 0 HA SER A 27 -0.001 -5.136 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.693 -7.181 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.337 -7.212 -0.921 1.00 0.00 H new ATOM 0 HG SER A 27 3.145 -5.847 -0.424 1.00 0.00 H new ATOM 376 N ASN A 28 -0.783 -6.735 -1.971 1.00 0.00 N ATOM 377 CA ASN A 28 -1.434 -6.578 -3.266 1.00 0.00 C ATOM 378 C ASN A 28 -2.676 -5.700 -3.148 1.00 0.00 C ATOM 379 O ASN A 28 -2.774 -4.655 -3.792 1.00 0.00 O ATOM 380 CB ASN A 28 -1.815 -7.945 -3.838 1.00 0.00 C ATOM 381 CG ASN A 28 -2.208 -7.870 -5.301 1.00 0.00 C ATOM 382 OD1 ASN A 28 -3.112 -7.123 -5.676 1.00 0.00 O ATOM 383 ND2 ASN A 28 -1.527 -8.647 -6.137 1.00 0.00 N ATOM 0 H ASN A 28 -0.339 -7.642 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.730 -6.092 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.975 -8.630 -3.725 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.643 -8.359 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.746 -8.639 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.785 -9.251 -5.782 1.00 0.00 H new ATOM 390 N ARG A 29 -3.622 -6.131 -2.319 1.00 0.00 N ATOM 391 CA ARG A 29 -4.858 -5.384 -2.116 1.00 0.00 C ATOM 392 C ARG A 29 -4.568 -3.903 -1.893 1.00 0.00 C ATOM 393 O ARG A 29 -5.255 -3.036 -2.434 1.00 0.00 O ATOM 394 CB ARG A 29 -5.629 -5.949 -0.922 1.00 0.00 C ATOM 395 CG ARG A 29 -6.819 -5.099 -0.508 1.00 0.00 C ATOM 396 CD ARG A 29 -7.940 -5.172 -1.534 1.00 0.00 C ATOM 397 NE ARG A 29 -8.453 -6.531 -1.688 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.468 -6.848 -2.483 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.076 -5.908 -3.194 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.877 -8.107 -2.570 1.00 0.00 N ATOM 0 H ARG A 29 -3.556 -6.993 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.467 -5.486 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.978 -6.952 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.950 -6.046 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.188 -5.436 0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.503 -4.063 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.752 -4.510 -1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.575 -4.811 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.007 -7.278 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.764 -4.939 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.856 -6.154 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.412 -8.833 -2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.657 -8.349 -3.181 1.00 0.00 H new ATOM 414 N LEU A 30 -3.547 -3.619 -1.091 1.00 0.00 N ATOM 415 CA LEU A 30 -3.165 -2.243 -0.795 1.00 0.00 C ATOM 416 C LEU A 30 -2.504 -1.589 -2.004 1.00 0.00 C ATOM 417 O LEU A 30 -2.818 -0.452 -2.357 1.00 0.00 O ATOM 418 CB LEU A 30 -2.216 -2.202 0.404 1.00 0.00 C ATOM 419 CG LEU A 30 -2.844 -2.497 1.767 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.915 -3.996 2.008 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.057 -1.813 2.875 1.00 0.00 C ATOM 0 H LEU A 30 -2.969 -4.324 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.070 -1.685 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.414 -2.920 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.756 -1.215 0.444 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.859 -2.101 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.365 -4.187 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.522 -4.461 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.910 -4.416 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.518 -2.033 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.030 -2.179 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.058 -0.735 2.710 1.00 0.00 H new ATOM 433 N ARG A 31 -1.588 -2.316 -2.636 1.00 0.00 N ATOM 434 CA ARG A 31 -0.883 -1.807 -3.807 1.00 0.00 C ATOM 435 C ARG A 31 -1.847 -1.106 -4.760 1.00 0.00 C ATOM 436 O ARG A 31 -1.574 -0.002 -5.232 1.00 0.00 O ATOM 437 CB ARG A 31 -0.169 -2.948 -4.534 1.00 0.00 C ATOM 438 CG ARG A 31 1.203 -3.269 -3.965 1.00 0.00 C ATOM 439 CD ARG A 31 1.686 -4.639 -4.414 1.00 0.00 C ATOM 440 NE ARG A 31 3.143 -4.720 -4.454 1.00 0.00 N ATOM 441 CZ ARG A 31 3.809 -5.680 -5.086 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.151 -6.636 -5.727 1.00 0.00 N ATOM 443 NH2 ARG A 31 5.136 -5.686 -5.077 1.00 0.00 N ATOM 0 H ARG A 31 -1.317 -3.259 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.143 -1.082 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.790 -3.842 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.064 -2.687 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.917 -2.509 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.164 -3.235 -2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.299 -5.400 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.284 -4.859 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 31 3.679 -4.000 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.131 -6.635 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.665 -7.372 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.646 -4.953 -4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.646 -6.424 -5.563 1.00 0.00 H new ATOM 457 N ARG A 32 -2.973 -1.755 -5.038 1.00 0.00 N ATOM 458 CA ARG A 32 -3.975 -1.194 -5.935 1.00 0.00 C ATOM 459 C ARG A 32 -4.578 0.080 -5.350 1.00 0.00 C ATOM 460 O ARG A 32 -4.782 1.066 -6.060 1.00 0.00 O ATOM 461 CB ARG A 32 -5.081 -2.218 -6.202 1.00 0.00 C ATOM 462 CG ARG A 32 -4.815 -3.099 -7.412 1.00 0.00 C ATOM 463 CD ARG A 32 -5.409 -2.500 -8.678 1.00 0.00 C ATOM 464 NE ARG A 32 -5.143 -3.328 -9.852 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.872 -3.286 -10.961 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.907 -2.461 -11.047 1.00 0.00 N ATOM 467 NH2 ARG A 32 -5.567 -4.070 -11.987 1.00 0.00 N ATOM 0 H ARG A 32 -3.214 -2.669 -4.655 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.484 -0.944 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.200 -2.850 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.025 -1.692 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.740 -3.230 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.239 -4.089 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.485 -2.383 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.996 -1.504 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.354 -3.974 -9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.144 -1.857 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.465 -2.431 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.772 -4.706 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.128 -4.037 -12.838 1.00 0.00 H new ATOM 481 N LEU A 33 -4.861 0.052 -4.052 1.00 0.00 N ATOM 482 CA LEU A 33 -5.441 1.204 -3.371 1.00 0.00 C ATOM 483 C LEU A 33 -4.446 2.358 -3.311 1.00 0.00 C ATOM 484 O LEU A 33 -4.835 3.521 -3.202 1.00 0.00 O ATOM 485 CB LEU A 33 -5.878 0.818 -1.957 1.00 0.00 C ATOM 486 CG LEU A 33 -6.966 -0.252 -1.859 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.939 -0.917 -0.492 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.335 0.352 -2.134 1.00 0.00 C ATOM 0 H LEU A 33 -4.698 -0.756 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.313 1.530 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.002 0.468 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.232 1.716 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.769 -1.013 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.720 -1.675 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.967 -1.385 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.110 -0.167 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.097 -0.424 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.541 1.134 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.349 0.780 -3.136 1.00 0.00 H new ATOM 500 N SER A 34 -3.160 2.029 -3.384 1.00 0.00 N ATOM 501 CA SER A 34 -2.109 3.038 -3.337 1.00 0.00 C ATOM 502 C SER A 34 -1.722 3.487 -4.743 1.00 0.00 C ATOM 503 O SER A 34 -1.322 4.632 -4.953 1.00 0.00 O ATOM 504 CB SER A 34 -0.880 2.491 -2.607 1.00 0.00 C ATOM 505 OG SER A 34 -0.174 3.529 -1.949 1.00 0.00 O ATOM 0 H SER A 34 -2.821 1.071 -3.476 1.00 0.00 H new ATOM 0 HA SER A 34 -2.492 3.901 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.189 1.740 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.222 1.994 -3.319 1.00 0.00 H new ATOM 0 HG SER A 34 -0.811 4.181 -1.589 1.00 0.00 H new ATOM 511 N ASP A 35 -1.843 2.575 -5.702 1.00 0.00 N ATOM 512 CA ASP A 35 -1.507 2.875 -7.089 1.00 0.00 C ATOM 513 C ASP A 35 -2.401 3.983 -7.637 1.00 0.00 C ATOM 514 O ASP A 35 -1.935 4.880 -8.337 1.00 0.00 O ATOM 515 CB ASP A 35 -1.642 1.620 -7.952 1.00 0.00 C ATOM 516 CG ASP A 35 -1.539 1.922 -9.433 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.666 2.730 -9.815 1.00 0.00 O ATOM 518 OD2 ASP A 35 -2.329 1.349 -10.212 1.00 0.00 O ATOM 0 H ASP A 35 -2.171 1.622 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.473 3.218 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.866 0.907 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.601 1.143 -7.747 1.00 0.00 H new ATOM 523 N ASN A 36 -3.688 3.913 -7.313 1.00 0.00 N ATOM 524 CA ASN A 36 -4.648 4.909 -7.774 1.00 0.00 C ATOM 525 C ASN A 36 -4.462 6.228 -7.031 1.00 0.00 C ATOM 526 O ASN A 36 -4.648 7.305 -7.600 1.00 0.00 O ATOM 527 CB ASN A 36 -6.077 4.399 -7.581 1.00 0.00 C ATOM 528 CG ASN A 36 -7.067 5.087 -8.501 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.678 5.804 -9.423 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.353 4.872 -8.253 1.00 0.00 N ATOM 0 H ASN A 36 -4.090 3.177 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.472 5.082 -8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.104 3.324 -7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.379 4.555 -6.545 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.065 5.309 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.629 4.270 -7.477 1.00 0.00 H new ATOM 537 N CYS A 37 -4.094 6.137 -5.758 1.00 0.00 N ATOM 538 CA CYS A 37 -3.883 7.324 -4.936 1.00 0.00 C ATOM 539 C CYS A 37 -2.461 7.850 -5.097 1.00 0.00 C ATOM 540 O CYS A 37 -2.018 8.712 -4.339 1.00 0.00 O ATOM 541 CB CYS A 37 -4.160 7.007 -3.466 1.00 0.00 C ATOM 542 SG CYS A 37 -5.845 6.441 -3.137 1.00 0.00 S ATOM 0 H CYS A 37 -3.935 5.254 -5.272 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.576 8.096 -5.270 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.460 6.241 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.965 7.899 -2.870 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.864 5.142 -3.083 1.00 0.00 H new ATOM 548 N GLY A 38 -1.749 7.325 -6.089 1.00 0.00 N ATOM 549 CA GLY A 38 -0.383 7.752 -6.330 1.00 0.00 C ATOM 550 C GLY A 38 0.533 7.455 -5.160 1.00 0.00 C ATOM 551 O GLY A 38 1.092 8.367 -4.553 1.00 0.00 O ATOM 0 H GLY A 38 -2.094 6.611 -6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.002 7.254 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.371 8.823 -6.534 1.00 0.00 H new ATOM 555 N GLY A 39 0.685 6.173 -4.840 1.00 0.00 N ATOM 556 CA GLY A 39 1.539 5.781 -3.734 1.00 0.00 C ATOM 557 C GLY A 39 2.236 4.458 -3.981 1.00 0.00 C ATOM 558 O GLY A 39 2.039 3.827 -5.020 1.00 0.00 O ATOM 0 H GLY A 39 0.232 5.400 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.287 6.556 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.941 5.709 -2.825 1.00 0.00 H new ATOM 562 N LYS A 40 3.056 4.035 -3.024 1.00 0.00 N ATOM 563 CA LYS A 40 3.785 2.778 -3.141 1.00 0.00 C ATOM 564 C LYS A 40 4.042 2.168 -1.767 1.00 0.00 C ATOM 565 O LYS A 40 4.753 2.744 -0.944 1.00 0.00 O ATOM 566 CB LYS A 40 5.114 3.002 -3.867 1.00 0.00 C ATOM 567 CG LYS A 40 5.813 1.714 -4.267 1.00 0.00 C ATOM 568 CD LYS A 40 6.744 1.928 -5.448 1.00 0.00 C ATOM 569 CE LYS A 40 8.036 2.608 -5.024 1.00 0.00 C ATOM 570 NZ LYS A 40 7.913 4.092 -5.039 1.00 0.00 N ATOM 0 H LYS A 40 3.232 4.545 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 40 3.174 2.085 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.934 3.600 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.777 3.581 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.381 1.329 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.069 0.959 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.972 0.968 -5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.243 2.535 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.309 2.276 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.842 2.304 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.801 4.511 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.133 4.369 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.718 4.434 -4.076 1.00 0.00 H new ATOM 584 N VAL A 41 3.459 0.998 -1.526 1.00 0.00 N ATOM 585 CA VAL A 41 3.626 0.309 -0.252 1.00 0.00 C ATOM 586 C VAL A 41 5.092 -0.024 0.004 1.00 0.00 C ATOM 587 O VAL A 41 5.582 -1.078 -0.404 1.00 0.00 O ATOM 588 CB VAL A 41 2.801 -0.991 -0.204 1.00 0.00 C ATOM 589 CG1 VAL A 41 3.078 -1.845 -1.432 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.098 -1.764 1.071 1.00 0.00 C ATOM 0 H VAL A 41 2.867 0.508 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 41 3.268 0.987 0.523 1.00 0.00 H new ATOM 0 HB VAL A 41 1.743 -0.729 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.486 -2.759 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.809 -1.289 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.137 -2.100 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.506 -2.679 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.158 -2.016 1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.843 -1.151 1.936 1.00 0.00 H new ATOM 600 N LEU A 42 5.788 0.881 0.683 1.00 0.00 N ATOM 601 CA LEU A 42 7.199 0.685 0.996 1.00 0.00 C ATOM 602 C LEU A 42 7.432 -0.686 1.622 1.00 0.00 C ATOM 603 O LEU A 42 8.254 -1.467 1.142 1.00 0.00 O ATOM 604 CB LEU A 42 7.690 1.781 1.943 1.00 0.00 C ATOM 605 CG LEU A 42 8.021 3.127 1.297 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.693 4.050 2.302 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.907 2.929 0.076 1.00 0.00 C ATOM 0 H LEU A 42 5.398 1.758 1.028 1.00 0.00 H new ATOM 0 HA LEU A 42 7.763 0.740 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.927 1.944 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.581 1.418 2.456 1.00 0.00 H new ATOM 0 HG LEU A 42 7.090 3.592 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.921 5.003 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.024 4.218 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.616 3.591 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.132 3.897 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.835 2.442 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.389 2.305 -0.652 1.00 0.00 H new ATOM 619 N SER A 43 6.703 -0.972 2.696 1.00 0.00 N ATOM 620 CA SER A 43 6.831 -2.248 3.389 1.00 0.00 C ATOM 621 C SER A 43 5.603 -2.525 4.251 1.00 0.00 C ATOM 622 O SER A 43 4.780 -1.638 4.480 1.00 0.00 O ATOM 623 CB SER A 43 8.090 -2.256 4.259 1.00 0.00 C ATOM 624 OG SER A 43 9.249 -2.484 3.477 1.00 0.00 O ATOM 0 H SER A 43 6.018 -0.337 3.105 1.00 0.00 H new ATOM 0 HA SER A 43 6.911 -3.034 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.181 -1.303 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.004 -3.030 5.022 1.00 0.00 H new ATOM 0 HG SER A 43 9.047 -2.311 2.534 1.00 0.00 H new ATOM 630 N ILE A 44 5.486 -3.761 4.724 1.00 0.00 N ATOM 631 CA ILE A 44 4.359 -4.155 5.560 1.00 0.00 C ATOM 632 C ILE A 44 4.829 -4.922 6.791 1.00 0.00 C ATOM 633 O ILE A 44 5.198 -6.094 6.703 1.00 0.00 O ATOM 634 CB ILE A 44 3.355 -5.024 4.780 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.778 -4.240 3.599 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.242 -5.502 5.700 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.403 -5.111 2.421 1.00 0.00 C ATOM 0 H ILE A 44 6.158 -4.507 4.543 1.00 0.00 H new ATOM 0 HA ILE A 44 3.864 -3.236 5.874 1.00 0.00 H new ATOM 0 HB ILE A 44 3.878 -5.897 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.895 -3.694 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.508 -3.498 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.540 -6.115 5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.669 -6.093 6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.718 -4.641 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.001 -4.488 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.287 -5.637 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.650 -5.836 2.730 1.00 0.00 H new ATOM 649 N THR A 45 4.813 -4.254 7.941 1.00 0.00 N ATOM 650 CA THR A 45 5.237 -4.873 9.190 1.00 0.00 C ATOM 651 C THR A 45 4.038 -5.231 10.061 1.00 0.00 C ATOM 652 O THR A 45 3.101 -4.446 10.197 1.00 0.00 O ATOM 653 CB THR A 45 6.176 -3.947 9.985 1.00 0.00 C ATOM 654 OG1 THR A 45 5.447 -2.820 10.484 1.00 0.00 O ATOM 655 CG2 THR A 45 7.328 -3.467 9.114 1.00 0.00 C ATOM 0 H THR A 45 4.511 -3.284 8.032 1.00 0.00 H new ATOM 0 HA THR A 45 5.775 -5.783 8.925 1.00 0.00 H new ATOM 0 HB THR A 45 6.585 -4.513 10.822 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.051 -2.237 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.978 -2.814 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.899 -4.325 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.934 -2.917 8.260 1.00 0.00 H new ATOM 663 N GLY A 46 4.075 -6.422 10.651 1.00 0.00 N ATOM 664 CA GLY A 46 2.986 -6.863 11.502 1.00 0.00 C ATOM 665 C GLY A 46 1.636 -6.372 11.018 1.00 0.00 C ATOM 666 O GLY A 46 1.353 -6.397 9.819 1.00 0.00 O ATOM 0 H GLY A 46 4.840 -7.089 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.979 -7.952 11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.156 -6.507 12.518 1.00 0.00 H new ATOM 670 N CYS A 47 0.802 -5.925 11.949 1.00 0.00 N ATOM 671 CA CYS A 47 -0.527 -5.428 11.611 1.00 0.00 C ATOM 672 C CYS A 47 -0.468 -3.964 11.186 1.00 0.00 C ATOM 673 O CYS A 47 -1.384 -3.190 11.462 1.00 0.00 O ATOM 674 CB CYS A 47 -1.473 -5.587 12.802 1.00 0.00 C ATOM 675 SG CYS A 47 -0.832 -4.906 14.350 1.00 0.00 S ATOM 0 H CYS A 47 1.022 -5.896 12.945 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.905 -6.016 10.775 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.420 -5.100 12.568 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.686 -6.646 12.944 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.602 -3.635 14.203 1.00 0.00 H new ATOM 681 N SER A 48 0.617 -3.592 10.514 1.00 0.00 N ATOM 682 CA SER A 48 0.799 -2.220 10.055 1.00 0.00 C ATOM 683 C SER A 48 1.497 -2.188 8.699 1.00 0.00 C ATOM 684 O SER A 48 2.076 -3.183 8.264 1.00 0.00 O ATOM 685 CB SER A 48 1.609 -1.421 11.078 1.00 0.00 C ATOM 686 OG SER A 48 2.895 -1.986 11.263 1.00 0.00 O ATOM 0 H SER A 48 1.383 -4.222 10.275 1.00 0.00 H new ATOM 0 HA SER A 48 -0.186 -1.766 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.707 -0.388 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.078 -1.398 12.030 1.00 0.00 H new ATOM 0 HG SER A 48 2.973 -2.804 10.728 1.00 0.00 H new ATOM 692 N ALA A 49 1.437 -1.038 8.036 1.00 0.00 N ATOM 693 CA ALA A 49 2.064 -0.874 6.731 1.00 0.00 C ATOM 694 C ALA A 49 2.513 0.567 6.514 1.00 0.00 C ATOM 695 O ALA A 49 2.014 1.486 7.163 1.00 0.00 O ATOM 696 CB ALA A 49 1.107 -1.303 5.628 1.00 0.00 C ATOM 0 H ALA A 49 0.960 -0.205 8.382 1.00 0.00 H new ATOM 0 HA ALA A 49 2.948 -1.511 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.588 -1.175 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.840 -2.351 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.206 -0.691 5.669 1.00 0.00 H new ATOM 702 N ILE A 50 3.458 0.755 5.600 1.00 0.00 N ATOM 703 CA ILE A 50 3.974 2.085 5.298 1.00 0.00 C ATOM 704 C ILE A 50 4.049 2.317 3.793 1.00 0.00 C ATOM 705 O ILE A 50 4.733 1.587 3.074 1.00 0.00 O ATOM 706 CB ILE A 50 5.371 2.299 5.909 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.310 2.171 7.433 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.922 3.659 5.508 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.667 2.230 8.099 1.00 0.00 C ATOM 0 H ILE A 50 3.882 0.004 5.056 1.00 0.00 H new ATOM 0 HA ILE A 50 3.280 2.800 5.739 1.00 0.00 H new ATOM 0 HB ILE A 50 6.041 1.530 5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.684 2.969 7.832 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.828 1.228 7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.910 3.795 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.997 3.715 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.254 4.442 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.547 2.133 9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.290 1.416 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.143 3.184 7.871 1.00 0.00 H new ATOM 721 N LEU A 51 3.343 3.339 3.321 1.00 0.00 N ATOM 722 CA LEU A 51 3.330 3.669 1.901 1.00 0.00 C ATOM 723 C LEU A 51 4.086 4.968 1.637 1.00 0.00 C ATOM 724 O LEU A 51 4.319 5.758 2.552 1.00 0.00 O ATOM 725 CB LEU A 51 1.891 3.792 1.398 1.00 0.00 C ATOM 726 CG LEU A 51 0.992 2.577 1.631 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.284 2.687 2.973 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.018 2.436 0.502 1.00 0.00 C ATOM 0 H LEU A 51 2.772 3.953 3.902 1.00 0.00 H new ATOM 0 HA LEU A 51 3.829 2.864 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.432 4.656 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.918 3.999 0.328 1.00 0.00 H new ATOM 0 HG LEU A 51 1.617 1.684 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.351 1.814 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.024 2.738 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.329 3.588 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.649 1.566 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.638 3.331 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.509 2.310 -0.444 1.00 0.00 H new ATOM 740 N ARG A 52 4.463 5.183 0.381 1.00 0.00 N ATOM 741 CA ARG A 52 5.191 6.386 -0.003 1.00 0.00 C ATOM 742 C ARG A 52 4.457 7.135 -1.112 1.00 0.00 C ATOM 743 O ARG A 52 4.354 6.651 -2.239 1.00 0.00 O ATOM 744 CB ARG A 52 6.604 6.027 -0.465 1.00 0.00 C ATOM 745 CG ARG A 52 7.366 7.199 -1.062 1.00 0.00 C ATOM 746 CD ARG A 52 8.148 7.955 0.001 1.00 0.00 C ATOM 747 NE ARG A 52 9.290 8.669 -0.564 1.00 0.00 N ATOM 748 CZ ARG A 52 10.445 8.086 -0.867 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.609 6.787 -0.660 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.437 8.803 -1.378 1.00 0.00 N ATOM 0 H ARG A 52 4.276 4.540 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 52 5.255 7.036 0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.165 5.634 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.543 5.229 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.050 6.837 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.667 7.877 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.488 8.664 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.497 7.255 0.760 1.00 0.00 H new ATOM 0 HE ARG A 52 9.196 9.670 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.848 6.233 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.496 6.341 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.314 9.803 -1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.323 8.355 -1.610 1.00 0.00 H new ATOM 764 N PHE A 53 3.947 8.317 -0.783 1.00 0.00 N ATOM 765 CA PHE A 53 3.221 9.132 -1.749 1.00 0.00 C ATOM 766 C PHE A 53 4.065 10.319 -2.204 1.00 0.00 C ATOM 767 O PHE A 53 4.861 10.859 -1.434 1.00 0.00 O ATOM 768 CB PHE A 53 1.906 9.630 -1.144 1.00 0.00 C ATOM 769 CG PHE A 53 0.916 8.532 -0.879 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.017 7.750 0.261 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.116 8.282 -1.769 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.107 6.740 0.509 1.00 0.00 C ATOM 773 CE2 PHE A 53 -1.029 7.273 -1.526 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.917 6.500 -0.386 1.00 0.00 C ATOM 0 H PHE A 53 4.023 8.732 0.146 1.00 0.00 H new ATOM 0 HA PHE A 53 3.001 8.510 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.119 10.150 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.457 10.358 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.816 7.932 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.208 8.882 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.197 6.139 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.830 7.089 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.629 5.710 -0.195 1.00 0.00 H new ATOM 784 N ILE A 54 3.887 10.719 -3.458 1.00 0.00 N ATOM 785 CA ILE A 54 4.631 11.842 -4.015 1.00 0.00 C ATOM 786 C ILE A 54 4.565 13.056 -3.095 1.00 0.00 C ATOM 787 O ILE A 54 5.591 13.623 -2.724 1.00 0.00 O ATOM 788 CB ILE A 54 4.100 12.236 -5.406 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.853 13.457 -5.936 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.606 12.515 -5.342 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.072 13.104 -6.760 1.00 0.00 C ATOM 0 H ILE A 54 3.234 10.282 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 54 5.667 11.517 -4.110 1.00 0.00 H new ATOM 0 HB ILE A 54 4.266 11.405 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.175 14.057 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.161 14.078 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.245 12.792 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.083 11.621 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.418 13.332 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.557 14.018 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.770 12.530 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.769 12.509 -7.621 1.00 0.00 H new ATOM 803 N ASN A 55 3.348 13.449 -2.729 1.00 0.00 N ATOM 804 CA ASN A 55 3.147 14.596 -1.851 1.00 0.00 C ATOM 805 C ASN A 55 1.959 14.367 -0.922 1.00 0.00 C ATOM 806 O ASN A 55 1.255 13.364 -1.034 1.00 0.00 O ATOM 807 CB ASN A 55 2.926 15.864 -2.677 1.00 0.00 C ATOM 808 CG ASN A 55 1.924 15.658 -3.797 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.736 15.450 -3.551 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.401 15.714 -5.035 1.00 0.00 N ATOM 0 H ASN A 55 2.487 12.990 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 55 4.043 14.719 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.577 16.664 -2.024 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.877 16.189 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.775 15.582 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.394 15.889 -5.192 1.00 0.00 H new ATOM 817 N GLN A 56 1.743 15.305 -0.005 1.00 0.00 N ATOM 818 CA GLN A 56 0.640 15.205 0.944 1.00 0.00 C ATOM 819 C GLN A 56 -0.675 14.928 0.223 1.00 0.00 C ATOM 820 O GLN A 56 -1.262 13.856 0.373 1.00 0.00 O ATOM 821 CB GLN A 56 0.526 16.492 1.762 1.00 0.00 C ATOM 822 CG GLN A 56 -0.283 16.332 3.039 1.00 0.00 C ATOM 823 CD GLN A 56 0.573 15.945 4.229 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.557 16.615 4.543 1.00 0.00 O ATOM 825 NE2 GLN A 56 0.203 14.860 4.897 1.00 0.00 N ATOM 0 H GLN A 56 2.316 16.142 0.101 1.00 0.00 H new ATOM 0 HA GLN A 56 0.846 14.372 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.527 16.840 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.067 17.265 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.799 17.267 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.050 15.573 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.620 14.335 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.741 14.551 5.706 1.00 0.00 H new ATOM 834 N ASP A 57 -1.131 15.901 -0.558 1.00 0.00 N ATOM 835 CA ASP A 57 -2.377 15.761 -1.303 1.00 0.00 C ATOM 836 C ASP A 57 -2.593 14.315 -1.736 1.00 0.00 C ATOM 837 O ASP A 57 -3.498 13.638 -1.248 1.00 0.00 O ATOM 838 CB ASP A 57 -2.369 16.678 -2.527 1.00 0.00 C ATOM 839 CG ASP A 57 -3.767 17.038 -2.990 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.554 17.547 -2.164 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.075 16.812 -4.179 1.00 0.00 O ATOM 0 H ASP A 57 -0.657 16.794 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.198 16.050 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.822 17.590 -2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.835 16.188 -3.341 1.00 0.00 H new ATOM 846 N SER A 58 -1.755 13.847 -2.657 1.00 0.00 N ATOM 847 CA SER A 58 -1.857 12.482 -3.160 1.00 0.00 C ATOM 848 C SER A 58 -1.984 11.487 -2.010 1.00 0.00 C ATOM 849 O SER A 58 -2.710 10.499 -2.107 1.00 0.00 O ATOM 850 CB SER A 58 -0.636 12.139 -4.014 1.00 0.00 C ATOM 851 OG SER A 58 -0.826 12.538 -5.360 1.00 0.00 O ATOM 0 H SER A 58 -0.999 14.393 -3.069 1.00 0.00 H new ATOM 0 HA SER A 58 -2.753 12.414 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.247 12.632 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.449 11.066 -3.973 1.00 0.00 H new ATOM 0 HG SER A 58 -0.030 12.309 -5.884 1.00 0.00 H new ATOM 857 N ALA A 59 -1.271 11.758 -0.921 1.00 0.00 N ATOM 858 CA ALA A 59 -1.304 10.889 0.249 1.00 0.00 C ATOM 859 C ALA A 59 -2.647 10.982 0.965 1.00 0.00 C ATOM 860 O ALA A 59 -3.144 9.993 1.500 1.00 0.00 O ATOM 861 CB ALA A 59 -0.170 11.242 1.201 1.00 0.00 C ATOM 0 H ALA A 59 -0.664 12.572 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.173 9.861 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.207 10.585 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.785 11.116 0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.275 12.278 1.524 1.00 0.00 H new ATOM 867 N GLU A 60 -3.228 12.178 0.969 1.00 0.00 N ATOM 868 CA GLU A 60 -4.513 12.399 1.621 1.00 0.00 C ATOM 869 C GLU A 60 -5.596 11.520 1.002 1.00 0.00 C ATOM 870 O GLU A 60 -6.133 10.625 1.656 1.00 0.00 O ATOM 871 CB GLU A 60 -4.916 13.872 1.517 1.00 0.00 C ATOM 872 CG GLU A 60 -3.927 14.821 2.172 1.00 0.00 C ATOM 873 CD GLU A 60 -4.548 16.159 2.525 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.107 16.278 3.635 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.476 17.085 1.691 1.00 0.00 O ATOM 0 H GLU A 60 -2.830 13.007 0.529 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.409 12.131 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.020 14.138 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.895 14.006 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.530 14.359 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.084 14.982 1.500 1.00 0.00 H new ATOM 882 N ARG A 61 -5.911 11.781 -0.262 1.00 0.00 N ATOM 883 CA ARG A 61 -6.931 11.015 -0.969 1.00 0.00 C ATOM 884 C ARG A 61 -6.871 9.541 -0.580 1.00 0.00 C ATOM 885 O ARG A 61 -7.890 8.853 -0.558 1.00 0.00 O ATOM 886 CB ARG A 61 -6.752 11.162 -2.481 1.00 0.00 C ATOM 887 CG ARG A 61 -6.746 12.606 -2.956 1.00 0.00 C ATOM 888 CD ARG A 61 -6.837 12.694 -4.472 1.00 0.00 C ATOM 889 NE ARG A 61 -8.187 12.418 -4.956 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.661 12.873 -6.110 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.899 13.622 -6.895 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.900 12.578 -6.482 1.00 0.00 N ATOM 0 H ARG A 61 -5.475 12.517 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.907 11.408 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.816 10.688 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.554 10.625 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.584 13.141 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.835 13.098 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.532 13.689 -4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.140 11.985 -4.919 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.799 11.844 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.946 13.850 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.266 13.970 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.489 12.001 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.263 12.928 -7.369 1.00 0.00 H new ATOM 906 N ALA A 62 -5.669 9.063 -0.274 1.00 0.00 N ATOM 907 CA ALA A 62 -5.476 7.672 0.116 1.00 0.00 C ATOM 908 C ALA A 62 -5.673 7.490 1.617 1.00 0.00 C ATOM 909 O ALA A 62 -6.220 6.481 2.062 1.00 0.00 O ATOM 910 CB ALA A 62 -4.091 7.195 -0.298 1.00 0.00 C ATOM 0 H ALA A 62 -4.814 9.619 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.225 7.069 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.961 6.155 -0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.985 7.279 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.334 7.809 0.189 1.00 0.00 H new ATOM 916 N GLN A 63 -5.223 8.472 2.392 1.00 0.00 N ATOM 917 CA GLN A 63 -5.350 8.418 3.843 1.00 0.00 C ATOM 918 C GLN A 63 -6.812 8.518 4.266 1.00 0.00 C ATOM 919 O GLN A 63 -7.207 7.986 5.304 1.00 0.00 O ATOM 920 CB GLN A 63 -4.542 9.545 4.489 1.00 0.00 C ATOM 921 CG GLN A 63 -4.458 9.442 6.003 1.00 0.00 C ATOM 922 CD GLN A 63 -5.590 10.172 6.701 1.00 0.00 C ATOM 923 OE1 GLN A 63 -5.879 11.329 6.395 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.236 9.498 7.644 1.00 0.00 N ATOM 0 H GLN A 63 -4.768 9.314 2.039 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.958 7.459 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.533 9.540 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.991 10.502 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.474 8.392 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.505 9.851 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.962 8.541 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.006 9.937 8.148 1.00 0.00 H new ATOM 933 N LYS A 64 -7.611 9.204 3.456 1.00 0.00 N ATOM 934 CA LYS A 64 -9.030 9.374 3.745 1.00 0.00 C ATOM 935 C LYS A 64 -9.844 8.216 3.176 1.00 0.00 C ATOM 936 O LYS A 64 -10.923 7.898 3.677 1.00 0.00 O ATOM 937 CB LYS A 64 -9.535 10.698 3.166 1.00 0.00 C ATOM 938 CG LYS A 64 -9.637 10.700 1.651 1.00 0.00 C ATOM 939 CD LYS A 64 -11.001 10.218 1.184 1.00 0.00 C ATOM 940 CE LYS A 64 -12.015 11.351 1.164 1.00 0.00 C ATOM 941 NZ LYS A 64 -13.169 11.047 0.273 1.00 0.00 N ATOM 0 H LYS A 64 -7.300 9.651 2.594 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.155 9.386 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.515 10.919 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.866 11.500 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.457 11.707 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.861 10.060 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.914 9.788 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.353 9.425 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.376 11.533 2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.529 12.267 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.838 11.844 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.828 10.898 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.649 10.187 0.607 1.00 0.00 H new ATOM 955 N ARG A 65 -9.319 7.588 2.128 1.00 0.00 N ATOM 956 CA ARG A 65 -9.997 6.465 1.492 1.00 0.00 C ATOM 957 C ARG A 65 -9.654 5.155 2.194 1.00 0.00 C ATOM 958 O ARG A 65 -10.539 4.441 2.664 1.00 0.00 O ATOM 959 CB ARG A 65 -9.612 6.381 0.014 1.00 0.00 C ATOM 960 CG ARG A 65 -9.783 4.993 -0.581 1.00 0.00 C ATOM 961 CD ARG A 65 -11.245 4.574 -0.609 1.00 0.00 C ATOM 962 NE ARG A 65 -11.506 3.568 -1.634 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.724 3.141 -1.951 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.785 3.630 -1.325 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.881 2.222 -2.895 1.00 0.00 N ATOM 0 H ARG A 65 -8.427 7.838 1.702 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.072 6.629 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.220 7.087 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.573 6.691 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.380 4.978 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.208 4.273 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.528 4.179 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.869 5.449 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.710 3.171 -2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.668 4.336 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.719 3.301 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.067 1.843 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.816 1.895 -3.138 1.00 0.00 H new ATOM 979 N MET A 66 -8.363 4.845 2.261 1.00 0.00 N ATOM 980 CA MET A 66 -7.904 3.621 2.906 1.00 0.00 C ATOM 981 C MET A 66 -8.365 3.566 4.359 1.00 0.00 C ATOM 982 O MET A 66 -8.375 2.501 4.976 1.00 0.00 O ATOM 983 CB MET A 66 -6.378 3.526 2.839 1.00 0.00 C ATOM 984 CG MET A 66 -5.854 3.118 1.472 1.00 0.00 C ATOM 985 SD MET A 66 -4.162 2.499 1.533 1.00 0.00 S ATOM 986 CE MET A 66 -3.259 3.922 0.925 1.00 0.00 C ATOM 0 H MET A 66 -7.617 5.425 1.877 1.00 0.00 H new ATOM 0 HA MET A 66 -8.338 2.774 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.950 4.491 3.110 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.034 2.805 3.581 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.503 2.349 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.899 3.975 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.307 4.000 1.449 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.077 3.808 -0.144 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.844 4.825 1.099 1.00 0.00 H new ATOM 996 N GLU A 67 -8.745 4.720 4.899 1.00 0.00 N ATOM 997 CA GLU A 67 -9.206 4.801 6.280 1.00 0.00 C ATOM 998 C GLU A 67 -10.368 3.841 6.523 1.00 0.00 C ATOM 999 O GLU A 67 -10.481 3.247 7.594 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.634 6.232 6.614 1.00 0.00 C ATOM 1001 CG GLU A 67 -11.016 6.591 6.096 1.00 0.00 C ATOM 1002 CD GLU A 67 -12.112 6.293 7.101 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -11.852 5.530 8.054 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -13.230 6.824 6.933 1.00 0.00 O ATOM 0 H GLU A 67 -8.743 5.611 4.402 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.379 4.515 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.615 6.365 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.906 6.927 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.040 7.651 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.211 6.038 5.177 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.228 3.697 5.520 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.381 2.810 5.625 1.00 0.00 C ATOM 1013 C ASN A 68 -12.120 1.489 4.908 1.00 0.00 C ATOM 1014 O ASN A 68 -12.622 0.442 5.313 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.623 3.484 5.038 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.403 4.265 6.078 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.921 4.498 7.187 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -15.616 4.674 5.724 1.00 0.00 N ATOM 0 H ASN A 68 -11.149 4.182 4.626 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.552 2.602 6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.323 4.155 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.270 2.726 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.188 5.204 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.976 4.458 4.794 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.329 1.548 3.841 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.000 0.356 3.068 1.00 0.00 C ATOM 1027 C GLU A 69 -10.906 -0.870 3.972 1.00 0.00 C ATOM 1028 O GLU A 69 -10.356 -0.803 5.071 1.00 0.00 O ATOM 1029 CB GLU A 69 -9.681 0.554 2.319 1.00 0.00 C ATOM 1030 CG GLU A 69 -9.809 1.424 1.080 1.00 0.00 C ATOM 1031 CD GLU A 69 -10.784 0.856 0.067 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -10.473 -0.193 -0.534 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.859 1.462 -0.125 1.00 0.00 O ATOM 0 H GLU A 69 -10.905 2.408 3.493 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.798 0.192 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.953 1.004 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.288 -0.420 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.136 2.422 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.830 1.533 0.614 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.446 -1.988 3.500 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.423 -3.230 4.265 1.00 0.00 C ATOM 1042 C ASP A 70 -10.646 -4.311 3.521 1.00 0.00 C ATOM 1043 O ASP A 70 -11.212 -5.060 2.724 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.849 -3.709 4.543 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.778 -3.475 3.368 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.500 -4.012 2.276 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.783 -2.753 3.541 1.00 0.00 O ATOM 0 H ASP A 70 -11.905 -2.060 2.592 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.922 -3.035 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.832 -4.772 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.239 -3.191 5.419 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.346 -4.387 3.786 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.490 -5.377 3.142 1.00 0.00 C ATOM 1054 C VAL A 71 -9.215 -6.708 2.982 1.00 0.00 C ATOM 1055 O VAL A 71 -9.307 -7.249 1.879 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.194 -5.603 3.942 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.398 -6.759 3.353 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.359 -4.332 3.974 1.00 0.00 C ATOM 0 H VAL A 71 -8.862 -3.775 4.443 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.236 -4.984 2.157 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.460 -5.861 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.485 -6.904 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.998 -7.668 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.140 -6.533 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.447 -4.510 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.100 -4.041 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.931 -3.533 4.445 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.730 -7.233 4.089 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.447 -8.502 4.072 1.00 0.00 C ATOM 1070 C PHE A 72 -11.202 -8.718 5.380 1.00 0.00 C ATOM 1071 O PHE A 72 -10.603 -9.001 6.417 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.473 -9.659 3.836 1.00 0.00 C ATOM 1073 CG PHE A 72 -9.026 -9.783 2.407 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.907 -10.207 1.426 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.724 -9.477 2.046 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.499 -10.322 0.110 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.310 -9.590 0.733 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.198 -10.014 -0.236 1.00 0.00 C ATOM 0 H PHE A 72 -9.664 -6.799 5.010 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.170 -8.471 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.598 -9.523 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.947 -10.591 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.925 -10.451 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -7.025 -9.146 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.196 -10.652 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.293 -9.347 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.876 -10.105 -1.263 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.524 -8.580 5.323 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.340 -8.762 6.509 1.00 0.00 C ATOM 1090 C GLY A 73 -12.813 -7.987 7.701 1.00 0.00 C ATOM 1091 O GLY A 73 -12.894 -8.452 8.837 1.00 0.00 O ATOM 0 H GLY A 73 -13.043 -8.346 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.361 -8.445 6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.381 -9.822 6.758 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.270 -6.802 7.440 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.725 -5.962 8.500 1.00 0.00 C ATOM 1097 C ASN A 74 -11.596 -4.515 8.035 1.00 0.00 C ATOM 1098 O ASN A 74 -11.767 -4.214 6.853 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.360 -6.490 8.948 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.218 -5.880 8.158 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.149 -6.019 6.937 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.314 -5.201 8.854 1.00 0.00 N ATOM 0 H ASN A 74 -12.196 -6.402 6.504 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.414 -5.994 9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.220 -6.276 10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.338 -7.574 8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.522 -4.769 8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.411 -5.111 9.865 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.291 -3.623 8.972 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.139 -2.207 8.658 1.00 0.00 C ATOM 1111 C ARG A 75 -9.762 -1.702 9.078 1.00 0.00 C ATOM 1112 O ARG A 75 -9.407 -1.746 10.257 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.229 -1.389 9.354 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.137 0.104 9.082 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.267 0.805 10.113 1.00 0.00 C ATOM 1116 NE ARG A 75 -12.053 1.329 11.227 1.00 0.00 N ATOM 1117 CZ ARG A 75 -12.222 0.682 12.375 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -11.663 -0.506 12.559 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -12.952 1.224 13.342 1.00 0.00 N ATOM 0 H ARG A 75 -11.144 -3.856 9.954 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.237 -2.087 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.205 -1.749 9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.168 -1.558 10.429 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.727 0.269 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.136 0.539 9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.521 0.107 10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.726 1.622 9.635 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.496 2.241 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.101 -0.926 11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.795 -1.000 13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.384 2.138 13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.081 0.727 14.223 1.00 0.00 H new ATOM 1133 N ILE A 76 -8.992 -1.223 8.108 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.654 -0.709 8.377 1.00 0.00 C ATOM 1135 C ILE A 76 -7.702 0.758 8.790 1.00 0.00 C ATOM 1136 O ILE A 76 -8.651 1.474 8.467 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.737 -0.856 7.149 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.341 -0.132 5.944 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.508 -2.326 6.831 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.407 -0.050 4.757 1.00 0.00 C ATOM 0 H ILE A 76 -9.271 -1.180 7.128 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.247 -1.301 9.196 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.774 -0.400 7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.254 -0.645 5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.626 0.877 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.858 -2.413 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.038 -2.814 7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.464 -2.806 6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.902 0.476 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.504 0.489 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.142 -1.056 4.433 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.672 1.200 9.504 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.595 2.582 9.959 1.00 0.00 C ATOM 1154 C ILE A 77 -5.360 3.278 9.397 1.00 0.00 C ATOM 1155 O ILE A 77 -4.230 2.858 9.647 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.565 2.669 11.496 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.790 1.972 12.092 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.505 4.122 11.944 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.729 1.824 13.596 1.00 0.00 C ATOM 0 H ILE A 77 -5.879 0.620 9.780 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.490 3.084 9.593 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.670 2.161 11.856 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.684 2.536 11.827 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.891 0.985 11.642 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.484 4.166 13.033 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.605 4.589 11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.383 4.653 11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.630 1.322 13.949 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.854 1.234 13.868 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.659 2.810 14.056 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.583 4.346 8.638 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.488 5.102 8.042 1.00 0.00 C ATOM 1173 C VAL A 78 -4.242 6.402 8.800 1.00 0.00 C ATOM 1174 O VAL A 78 -5.174 7.161 9.069 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.769 5.428 6.563 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.504 5.915 5.874 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.340 4.211 5.850 1.00 0.00 C ATOM 0 H VAL A 78 -6.512 4.707 8.421 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.599 4.474 8.104 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.508 6.228 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.722 6.140 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.142 6.815 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.740 5.139 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.533 4.458 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.625 3.390 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.272 3.912 6.330 1.00 0.00 H new ATOM 1187 N SER A 79 -2.983 6.654 9.140 1.00 0.00 N ATOM 1188 CA SER A 79 -2.614 7.862 9.870 1.00 0.00 C ATOM 1189 C SER A 79 -1.307 8.440 9.338 1.00 0.00 C ATOM 1190 O SER A 79 -0.455 7.713 8.828 1.00 0.00 O ATOM 1191 CB SER A 79 -2.481 7.560 11.364 1.00 0.00 C ATOM 1192 OG SER A 79 -2.818 8.693 12.146 1.00 0.00 O ATOM 0 H SER A 79 -2.200 6.038 8.922 1.00 0.00 H new ATOM 0 HA SER A 79 -3.403 8.600 9.725 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.130 6.726 11.629 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.459 7.252 11.586 1.00 0.00 H new ATOM 0 HG SER A 79 -2.727 8.473 13.097 1.00 0.00 H new ATOM 1198 N PHE A 80 -1.156 9.755 9.461 1.00 0.00 N ATOM 1199 CA PHE A 80 0.047 10.434 8.992 1.00 0.00 C ATOM 1200 C PHE A 80 1.167 10.327 10.022 1.00 0.00 C ATOM 1201 O PHE A 80 2.347 10.444 9.688 1.00 0.00 O ATOM 1202 CB PHE A 80 -0.254 11.905 8.699 1.00 0.00 C ATOM 1203 CG PHE A 80 -1.008 12.119 7.418 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -0.451 11.758 6.202 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -2.275 12.681 7.430 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -1.143 11.954 5.021 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -2.971 12.878 6.253 1.00 0.00 C ATOM 1208 CZ PHE A 80 -2.404 12.515 5.047 1.00 0.00 C ATOM 0 H PHE A 80 -1.851 10.372 9.881 1.00 0.00 H new ATOM 0 HA PHE A 80 0.375 9.948 8.073 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.831 12.321 9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.684 12.458 8.656 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.535 11.318 6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.723 12.968 8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.697 11.669 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.958 13.316 6.276 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.946 12.670 4.126 1.00 0.00 H new ATOM 1218 N THR A 81 0.791 10.106 11.278 1.00 0.00 N ATOM 1219 CA THR A 81 1.762 9.985 12.357 1.00 0.00 C ATOM 1220 C THR A 81 1.792 8.566 12.914 1.00 0.00 C ATOM 1221 O THR A 81 0.809 7.828 12.852 1.00 0.00 O ATOM 1222 CB THR A 81 1.454 10.968 13.503 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.114 10.772 13.969 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.631 12.407 13.043 1.00 0.00 C ATOM 0 H THR A 81 -0.181 10.007 11.572 1.00 0.00 H new ATOM 0 HA THR A 81 2.737 10.226 11.933 1.00 0.00 H new ATOM 0 HB THR A 81 2.153 10.775 14.317 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.074 11.399 14.698 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.408 13.083 13.869 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.659 12.561 12.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.952 12.610 12.214 1.00 0.00 H new ATOM 1232 N PRO A 82 2.946 8.174 13.473 1.00 0.00 N ATOM 1233 CA PRO A 82 3.131 6.840 14.054 1.00 0.00 C ATOM 1234 C PRO A 82 2.331 6.651 15.338 1.00 0.00 C ATOM 1235 O PRO A 82 2.226 7.565 16.157 1.00 0.00 O ATOM 1236 CB PRO A 82 4.633 6.786 14.346 1.00 0.00 C ATOM 1237 CG PRO A 82 5.038 8.210 14.511 1.00 0.00 C ATOM 1238 CD PRO A 82 4.159 9.001 13.583 1.00 0.00 C ATOM 0 HA PRO A 82 2.784 6.052 13.385 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.841 6.208 15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.178 6.311 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.908 8.535 15.543 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.091 8.348 14.263 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.936 9.989 13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.632 9.151 12.613 1.00 0.00 H new ATOM 1246 N LYS A 83 1.769 5.460 15.509 1.00 0.00 N ATOM 1247 CA LYS A 83 0.979 5.149 16.695 1.00 0.00 C ATOM 1248 C LYS A 83 1.801 4.350 17.702 1.00 0.00 C ATOM 1249 O LYS A 83 1.691 4.557 18.910 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.275 4.362 16.306 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.123 5.053 15.252 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.594 4.707 15.407 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.831 3.209 15.286 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.282 2.876 15.268 1.00 0.00 N ATOM 0 H LYS A 83 1.846 4.693 14.841 1.00 0.00 H new ATOM 0 HA LYS A 83 0.681 6.089 17.159 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.022 3.381 15.936 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.881 4.196 17.197 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.992 6.132 15.328 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.782 4.760 14.259 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.950 5.056 16.376 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.174 5.231 14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.363 2.840 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.351 2.697 16.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.401 1.846 15.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.725 3.205 16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.735 3.344 14.457 1.00 0.00 H new ATOM 1268 N ASN A 84 2.626 3.439 17.196 1.00 0.00 N ATOM 1269 CA ASN A 84 3.467 2.610 18.052 1.00 0.00 C ATOM 1270 C ASN A 84 4.192 3.461 19.090 1.00 0.00 C ATOM 1271 O ASN A 84 4.100 3.206 20.291 1.00 0.00 O ATOM 1272 CB ASN A 84 4.484 1.837 17.209 1.00 0.00 C ATOM 1273 CG ASN A 84 5.138 0.709 17.983 1.00 0.00 C ATOM 1274 OD1 ASN A 84 4.479 -0.002 18.741 1.00 0.00 O ATOM 1275 ND2 ASN A 84 6.441 0.541 17.794 1.00 0.00 N ATOM 0 H ASN A 84 2.730 3.256 16.198 1.00 0.00 H new ATOM 0 HA ASN A 84 2.824 1.901 18.574 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.987 1.430 16.329 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.253 2.523 16.853 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.936 -0.202 18.287 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.947 1.155 17.156 1.00 0.00 H new ATOM 1282 N ARG A 85 4.913 4.473 18.618 1.00 0.00 N ATOM 1283 CA ARG A 85 5.654 5.362 19.505 1.00 0.00 C ATOM 1284 C ARG A 85 5.587 6.804 19.011 1.00 0.00 C ATOM 1285 O ARG A 85 5.592 7.057 17.807 1.00 0.00 O ATOM 1286 CB ARG A 85 7.113 4.914 19.607 1.00 0.00 C ATOM 1287 CG ARG A 85 7.316 3.698 20.496 1.00 0.00 C ATOM 1288 CD ARG A 85 7.744 4.099 21.899 1.00 0.00 C ATOM 1289 NE ARG A 85 6.627 4.614 22.686 1.00 0.00 N ATOM 1290 CZ ARG A 85 6.591 4.590 24.014 1.00 0.00 C ATOM 1291 NH1 ARG A 85 7.604 4.080 24.699 1.00 0.00 N ATOM 1292 NH2 ARG A 85 5.539 5.079 24.658 1.00 0.00 N ATOM 0 H ARG A 85 5.000 4.698 17.627 1.00 0.00 H new ATOM 0 HA ARG A 85 5.196 5.313 20.493 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.486 4.689 18.608 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.712 5.739 19.992 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.391 3.124 20.547 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.071 3.046 20.056 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.178 3.237 22.406 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.524 4.858 21.837 1.00 0.00 H new ATOM 0 HE ARG A 85 5.831 5.014 22.189 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.415 3.704 24.207 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.573 4.063 25.718 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.758 5.473 24.134 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.511 5.061 25.677 1.00 0.00 H new ATOM 1306 N GLU A 86 5.523 7.743 19.949 1.00 0.00 N ATOM 1307 CA GLU A 86 5.453 9.159 19.608 1.00 0.00 C ATOM 1308 C GLU A 86 5.814 10.027 20.809 1.00 0.00 C ATOM 1309 O GLU A 86 5.908 9.539 21.936 1.00 0.00 O ATOM 1310 CB GLU A 86 4.051 9.518 19.109 1.00 0.00 C ATOM 1311 CG GLU A 86 3.010 9.583 20.213 1.00 0.00 C ATOM 1312 CD GLU A 86 3.034 8.360 21.110 1.00 0.00 C ATOM 1313 OE1 GLU A 86 2.825 7.243 20.594 1.00 0.00 O ATOM 1314 OE2 GLU A 86 3.261 8.521 22.327 1.00 0.00 O ATOM 0 H GLU A 86 5.518 7.549 20.950 1.00 0.00 H new ATOM 0 HA GLU A 86 6.174 9.350 18.813 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.091 10.482 18.602 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.738 8.781 18.369 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.181 10.475 20.816 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.020 9.684 19.768 1.00 0.00 H new ATOM 1321 N LEU A 87 6.017 11.316 20.561 1.00 0.00 N ATOM 1322 CA LEU A 87 6.369 12.254 21.622 1.00 0.00 C ATOM 1323 C LEU A 87 5.121 12.905 22.209 1.00 0.00 C ATOM 1324 O LEU A 87 4.667 13.945 21.729 1.00 0.00 O ATOM 1325 CB LEU A 87 7.315 13.329 21.086 1.00 0.00 C ATOM 1326 CG LEU A 87 8.791 12.939 20.993 1.00 0.00 C ATOM 1327 CD1 LEU A 87 9.502 13.786 19.949 1.00 0.00 C ATOM 1328 CD2 LEU A 87 9.466 13.083 22.349 1.00 0.00 C ATOM 0 H LEU A 87 5.944 11.736 19.634 1.00 0.00 H new ATOM 0 HA LEU A 87 6.872 11.698 22.413 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.974 13.622 20.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.232 14.209 21.724 1.00 0.00 H new ATOM 0 HG LEU A 87 8.853 11.895 20.687 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.551 13.494 19.897 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.034 13.633 18.976 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.431 14.838 20.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.516 12.801 22.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.394 14.118 22.683 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.973 12.433 23.072 1.00 0.00 H new ATOM 1340 N CYS A 88 4.572 12.289 23.250 1.00 0.00 N ATOM 1341 CA CYS A 88 3.377 12.810 23.904 1.00 0.00 C ATOM 1342 C CYS A 88 3.748 13.720 25.070 1.00 0.00 C ATOM 1343 O CYS A 88 3.194 13.601 26.162 1.00 0.00 O ATOM 1344 CB CYS A 88 2.498 11.660 24.398 1.00 0.00 C ATOM 1345 SG CYS A 88 3.299 10.589 25.615 1.00 0.00 S ATOM 0 H CYS A 88 4.935 11.428 23.659 1.00 0.00 H new ATOM 0 HA CYS A 88 2.819 13.396 23.173 1.00 0.00 H new ATOM 0 HB2 CYS A 88 1.589 12.073 24.836 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.194 11.056 23.543 1.00 0.00 H new ATOM 0 HG CYS A 88 3.740 11.309 26.603 1.00 0.00 H new ATOM 1351 N GLU A 89 4.690 14.627 24.830 1.00 0.00 N ATOM 1352 CA GLU A 89 5.137 15.555 25.863 1.00 0.00 C ATOM 1353 C GLU A 89 4.555 16.946 25.632 1.00 0.00 C ATOM 1354 O GLU A 89 5.163 17.783 24.962 1.00 0.00 O ATOM 1355 CB GLU A 89 6.665 15.626 25.889 1.00 0.00 C ATOM 1356 CG GLU A 89 7.302 15.546 24.511 1.00 0.00 C ATOM 1357 CD GLU A 89 8.686 16.164 24.472 1.00 0.00 C ATOM 1358 OE1 GLU A 89 8.780 17.405 24.369 1.00 0.00 O ATOM 1359 OE2 GLU A 89 9.676 15.405 24.544 1.00 0.00 O ATOM 0 H GLU A 89 5.158 14.739 23.931 1.00 0.00 H new ATOM 0 HA GLU A 89 4.782 15.187 26.826 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.969 16.557 26.367 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.048 14.812 26.505 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.365 14.502 24.204 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.662 16.052 23.789 1.00 0.00 H new ATOM 1366 N THR A 90 3.374 17.188 26.191 1.00 0.00 N ATOM 1367 CA THR A 90 2.708 18.477 26.045 1.00 0.00 C ATOM 1368 C THR A 90 3.244 19.489 27.051 1.00 0.00 C ATOM 1369 O THR A 90 2.902 20.670 27.000 1.00 0.00 O ATOM 1370 CB THR A 90 1.184 18.346 26.226 1.00 0.00 C ATOM 1371 OG1 THR A 90 0.577 19.642 26.216 1.00 0.00 O ATOM 1372 CG2 THR A 90 0.854 17.635 27.530 1.00 0.00 C ATOM 0 H THR A 90 2.858 16.508 26.750 1.00 0.00 H new ATOM 0 HA THR A 90 2.916 18.828 25.034 1.00 0.00 H new ATOM 0 HB THR A 90 0.791 17.755 25.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.271 20.327 26.121 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.228 17.554 27.637 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.294 16.638 27.522 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.259 18.203 28.367 1.00 0.00 H new ATOM 1380 N SER A 91 4.085 19.018 27.966 1.00 0.00 N ATOM 1381 CA SER A 91 4.666 19.882 28.987 1.00 0.00 C ATOM 1382 C SER A 91 5.982 20.484 28.506 1.00 0.00 C ATOM 1383 O SER A 91 6.556 20.036 27.514 1.00 0.00 O ATOM 1384 CB SER A 91 4.893 19.097 30.281 1.00 0.00 C ATOM 1385 OG SER A 91 5.851 18.070 30.092 1.00 0.00 O ATOM 0 H SER A 91 4.379 18.043 28.021 1.00 0.00 H new ATOM 0 HA SER A 91 3.966 20.694 29.181 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.230 19.774 31.066 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.951 18.663 30.617 1.00 0.00 H new ATOM 0 HG SER A 91 5.980 17.584 30.933 1.00 0.00 H new ATOM 1391 N GLY A 92 6.456 21.502 29.217 1.00 0.00 N ATOM 1392 CA GLY A 92 7.701 22.150 28.848 1.00 0.00 C ATOM 1393 C GLY A 92 7.496 23.574 28.372 1.00 0.00 C ATOM 1394 O GLY A 92 6.551 23.878 27.643 1.00 0.00 O ATOM 0 H GLY A 92 6.000 21.890 30.043 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.374 22.150 29.705 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.187 21.574 28.061 1.00 0.00 H new ATOM 1398 N PRO A 93 8.394 24.477 28.791 1.00 0.00 N ATOM 1399 CA PRO A 93 8.328 25.893 28.416 1.00 0.00 C ATOM 1400 C PRO A 93 8.643 26.118 26.941 1.00 0.00 C ATOM 1401 O PRO A 93 8.525 27.233 26.435 1.00 0.00 O ATOM 1402 CB PRO A 93 9.397 26.544 29.297 1.00 0.00 C ATOM 1403 CG PRO A 93 10.361 25.448 29.595 1.00 0.00 C ATOM 1404 CD PRO A 93 9.546 24.186 29.662 1.00 0.00 C ATOM 0 HA PRO A 93 7.329 26.306 28.559 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.885 27.371 28.781 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.964 26.949 30.211 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.125 25.379 28.820 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.878 25.629 30.537 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.110 23.324 29.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.233 23.964 30.682 1.00 0.00 H new ATOM 1412 N SER A 94 9.044 25.051 26.257 1.00 0.00 N ATOM 1413 CA SER A 94 9.379 25.133 24.840 1.00 0.00 C ATOM 1414 C SER A 94 8.459 26.114 24.120 1.00 0.00 C ATOM 1415 O SER A 94 7.238 26.059 24.267 1.00 0.00 O ATOM 1416 CB SER A 94 9.280 23.752 24.190 1.00 0.00 C ATOM 1417 OG SER A 94 9.587 23.815 22.808 1.00 0.00 O ATOM 0 H SER A 94 9.145 24.120 26.661 1.00 0.00 H new ATOM 0 HA SER A 94 10.404 25.494 24.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.964 23.063 24.686 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.274 23.355 24.324 1.00 0.00 H new ATOM 0 HG SER A 94 9.518 22.919 22.416 1.00 0.00 H new ATOM 1423 N SER A 95 9.054 27.011 23.341 1.00 0.00 N ATOM 1424 CA SER A 95 8.290 28.008 22.601 1.00 0.00 C ATOM 1425 C SER A 95 8.839 28.173 21.187 1.00 0.00 C ATOM 1426 O SER A 95 10.022 28.450 20.996 1.00 0.00 O ATOM 1427 CB SER A 95 8.320 29.352 23.332 1.00 0.00 C ATOM 1428 OG SER A 95 9.631 29.889 23.357 1.00 0.00 O ATOM 0 H SER A 95 10.063 27.068 23.206 1.00 0.00 H new ATOM 0 HA SER A 95 7.258 27.663 22.534 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.646 30.053 22.839 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.957 29.223 24.352 1.00 0.00 H new ATOM 0 HG SER A 95 10.167 29.477 22.647 1.00 0.00 H new ATOM 1434 N GLY A 96 7.968 27.999 20.197 1.00 0.00 N ATOM 1435 CA GLY A 96 8.383 28.132 18.812 1.00 0.00 C ATOM 1436 C GLY A 96 8.672 29.570 18.429 1.00 0.00 C ATOM 1437 O GLY A 96 7.752 30.369 18.255 1.00 0.00 O ATOM 0 H GLY A 96 6.983 27.769 20.329 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.275 27.528 18.644 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.602 27.736 18.162 1.00 0.00 H new TER 1441 GLY A 96