USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 28:sc= 0.0303 USER MOD Single : A 7 GLN : amide:sc= 0.356 K(o=0.36,f=-7.6!) USER MOD Single : A 8 MET CE :methyl -133:sc= -2.68 (180deg=-3.62!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.807) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 68:sc= -0.0552 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= -0.177 (180deg=-0.177) USER MOD Single : A 25 ASN : amide:sc= -0.144 K(o=-0.14,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.042 (180deg=-0.925) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -1.34 (180deg=-1.83) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -6.45! C(o=-6.5!,f=-7.7!) USER MOD Single : A 41 THR OG1 : rot 55:sc= 0.283 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 51 HIS : no HE2:sc= 0.211 K(o=0.21,f=-1.1) USER MOD Single : A 52 TYR OH : rot 45:sc= -3.51 USER MOD Single : A 54 ASN :FLIP amide:sc= 0.776 F(o=-0.04,f=0.78) USER MOD Single : A 55 SER OG : rot 69:sc= 0.957 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -9.93! C(o=-14!,f=-9.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 2.030 -7.568 -2.202 1.00 0.00 N ATOM 66 CA SER A 5 2.383 -6.722 -1.075 1.00 0.00 C ATOM 67 C SER A 5 3.428 -5.689 -1.504 1.00 0.00 C ATOM 68 O SER A 5 3.463 -4.580 -0.973 1.00 0.00 O ATOM 69 CB SER A 5 2.908 -7.554 0.096 1.00 0.00 C ATOM 70 OG SER A 5 1.938 -8.487 0.565 1.00 0.00 O ATOM 0 HA SER A 5 1.484 -6.204 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.806 -8.089 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.197 -6.891 0.911 1.00 0.00 H new ATOM 0 HG SER A 5 1.336 -8.730 -0.169 1.00 0.00 H new ATOM 76 N CYS A 6 4.253 -6.092 -2.458 1.00 0.00 N ATOM 77 CA CYS A 6 5.296 -5.215 -2.964 1.00 0.00 C ATOM 78 C CYS A 6 4.630 -4.023 -3.655 1.00 0.00 C ATOM 79 O CYS A 6 4.518 -2.947 -3.071 1.00 0.00 O ATOM 80 CB CYS A 6 6.253 -5.956 -3.900 1.00 0.00 C ATOM 81 SG CYS A 6 7.656 -4.954 -4.515 1.00 0.00 S ATOM 0 H CYS A 6 4.221 -7.013 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 6 5.907 -4.857 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.649 -6.827 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.688 -6.327 -4.755 1.00 0.00 H new ATOM 86 N GLN A 7 4.207 -4.257 -4.888 1.00 0.00 N ATOM 87 CA GLN A 7 3.555 -3.216 -5.664 1.00 0.00 C ATOM 88 C GLN A 7 2.500 -2.503 -4.816 1.00 0.00 C ATOM 89 O GLN A 7 2.329 -1.289 -4.922 1.00 0.00 O ATOM 90 CB GLN A 7 2.936 -3.789 -6.941 1.00 0.00 C ATOM 91 CG GLN A 7 2.168 -5.080 -6.646 1.00 0.00 C ATOM 92 CD GLN A 7 3.024 -6.309 -6.956 1.00 0.00 C ATOM 93 OE1 GLN A 7 4.148 -6.446 -6.503 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.430 -7.194 -7.752 1.00 0.00 N ATOM 0 H GLN A 7 4.303 -5.151 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 7 4.309 -2.486 -5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.264 -3.055 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.720 -3.987 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 7 1.867 -5.097 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.255 -5.109 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.486 -7.017 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.918 -8.049 -8.018 1.00 0.00 H new ATOM 103 N MET A 8 1.820 -3.287 -3.992 1.00 0.00 N ATOM 104 CA MET A 8 0.786 -2.746 -3.126 1.00 0.00 C ATOM 105 C MET A 8 1.332 -1.602 -2.270 1.00 0.00 C ATOM 106 O MET A 8 0.618 -0.643 -1.981 1.00 0.00 O ATOM 107 CB MET A 8 0.251 -3.854 -2.216 1.00 0.00 C ATOM 108 CG MET A 8 -0.577 -4.864 -3.013 1.00 0.00 C ATOM 109 SD MET A 8 -1.840 -5.574 -1.969 1.00 0.00 S ATOM 110 CE MET A 8 -2.760 -6.503 -3.185 1.00 0.00 C ATOM 0 H MET A 8 1.965 -4.293 -3.906 1.00 0.00 H new ATOM 0 HA MET A 8 -0.018 -2.356 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.083 -4.363 -1.729 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.362 -3.418 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.036 -4.374 -3.872 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.069 -5.650 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.826 -6.314 -3.057 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.454 -6.196 -4.185 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.563 -7.567 -3.056 1.00 0.00 H new ATOM 120 N CYS A 9 2.593 -1.739 -1.890 1.00 0.00 N ATOM 121 CA CYS A 9 3.243 -0.729 -1.072 1.00 0.00 C ATOM 122 C CYS A 9 3.402 0.540 -1.913 1.00 0.00 C ATOM 123 O CYS A 9 3.228 1.649 -1.409 1.00 0.00 O ATOM 124 CB CYS A 9 4.584 -1.221 -0.523 1.00 0.00 C ATOM 125 SG CYS A 9 5.976 -0.052 -0.735 1.00 0.00 S ATOM 0 H CYS A 9 3.183 -2.535 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 9 2.626 -0.512 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.468 -1.437 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.839 -2.160 -1.014 1.00 0.00 H new ATOM 130 N GLU A 10 3.730 0.334 -3.180 1.00 0.00 N ATOM 131 CA GLU A 10 3.915 1.447 -4.096 1.00 0.00 C ATOM 132 C GLU A 10 2.575 2.131 -4.376 1.00 0.00 C ATOM 133 O GLU A 10 2.531 3.177 -5.022 1.00 0.00 O ATOM 134 CB GLU A 10 4.577 0.985 -5.395 1.00 0.00 C ATOM 135 CG GLU A 10 4.882 2.174 -6.308 1.00 0.00 C ATOM 136 CD GLU A 10 5.882 1.785 -7.399 1.00 0.00 C ATOM 137 OE1 GLU A 10 5.781 0.633 -7.876 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.724 2.646 -7.731 1.00 0.00 O ATOM 0 H GLU A 10 3.872 -0.587 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 10 4.580 2.172 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.499 0.451 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.922 0.284 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.960 2.532 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.285 2.997 -5.717 1.00 0.00 H new ATOM 146 N LEU A 11 1.516 1.513 -3.876 1.00 0.00 N ATOM 147 CA LEU A 11 0.178 2.049 -4.064 1.00 0.00 C ATOM 148 C LEU A 11 -0.172 2.961 -2.886 1.00 0.00 C ATOM 149 O LEU A 11 -0.609 4.095 -3.083 1.00 0.00 O ATOM 150 CB LEU A 11 -0.827 0.917 -4.284 1.00 0.00 C ATOM 151 CG LEU A 11 -2.304 1.316 -4.261 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.596 2.400 -5.301 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.206 0.094 -4.439 1.00 0.00 C ATOM 0 H LEU A 11 1.557 0.646 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 11 0.137 2.661 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.613 0.449 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.664 0.159 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.527 1.740 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.653 2.665 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.993 3.282 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.351 2.026 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.250 0.406 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.988 -0.383 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.023 -0.614 -3.631 1.00 0.00 H new ATOM 165 N VAL A 12 0.034 2.433 -1.688 1.00 0.00 N ATOM 166 CA VAL A 12 -0.254 3.186 -0.479 1.00 0.00 C ATOM 167 C VAL A 12 0.617 4.443 -0.447 1.00 0.00 C ATOM 168 O VAL A 12 0.132 5.531 -0.138 1.00 0.00 O ATOM 169 CB VAL A 12 -0.064 2.295 0.750 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.881 1.007 0.625 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.418 1.984 0.977 1.00 0.00 C ATOM 0 H VAL A 12 0.397 1.493 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.294 3.511 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.430 2.841 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.728 0.392 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.939 1.254 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.559 0.456 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.526 1.349 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.819 1.467 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.965 2.914 1.131 1.00 0.00 H new ATOM 181 N VAL A 13 1.888 4.253 -0.770 1.00 0.00 N ATOM 182 CA VAL A 13 2.831 5.358 -0.782 1.00 0.00 C ATOM 183 C VAL A 13 2.414 6.367 -1.853 1.00 0.00 C ATOM 184 O VAL A 13 2.154 7.530 -1.549 1.00 0.00 O ATOM 185 CB VAL A 13 4.253 4.831 -0.978 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.663 3.915 0.176 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.391 4.113 -2.323 1.00 0.00 C ATOM 0 H VAL A 13 2.287 3.350 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 13 2.821 5.878 0.176 1.00 0.00 H new ATOM 0 HB VAL A 13 4.929 5.686 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.678 3.554 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.623 4.470 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.981 3.067 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.412 3.748 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.699 3.272 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.161 4.807 -3.131 1.00 0.00 H new ATOM 197 N LYS A 14 2.362 5.885 -3.086 1.00 0.00 N ATOM 198 CA LYS A 14 1.981 6.730 -4.206 1.00 0.00 C ATOM 199 C LYS A 14 0.760 7.565 -3.815 1.00 0.00 C ATOM 200 O LYS A 14 0.610 8.700 -4.266 1.00 0.00 O ATOM 201 CB LYS A 14 1.773 5.889 -5.466 1.00 0.00 C ATOM 202 CG LYS A 14 1.435 6.775 -6.666 1.00 0.00 C ATOM 203 CD LYS A 14 -0.009 6.553 -7.123 1.00 0.00 C ATOM 204 CE LYS A 14 -0.064 6.182 -8.606 1.00 0.00 C ATOM 205 NZ LYS A 14 -1.468 6.031 -9.050 1.00 0.00 N ATOM 0 H LYS A 14 2.577 4.919 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 14 2.783 7.428 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.675 5.314 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.969 5.172 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.579 7.822 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.118 6.557 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.464 5.760 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.592 7.457 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.430 6.952 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.479 5.252 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.488 5.779 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.928 5.280 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.976 6.927 -8.907 1.00 0.00 H new ATOM 219 N LYS A 15 -0.082 6.972 -2.982 1.00 0.00 N ATOM 220 CA LYS A 15 -1.285 7.646 -2.525 1.00 0.00 C ATOM 221 C LYS A 15 -0.925 8.615 -1.397 1.00 0.00 C ATOM 222 O LYS A 15 -1.449 9.726 -1.337 1.00 0.00 O ATOM 223 CB LYS A 15 -2.358 6.626 -2.141 1.00 0.00 C ATOM 224 CG LYS A 15 -2.900 5.907 -3.379 1.00 0.00 C ATOM 225 CD LYS A 15 -3.611 6.887 -4.314 1.00 0.00 C ATOM 226 CE LYS A 15 -4.397 6.140 -5.394 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.640 6.871 -5.729 1.00 0.00 N ATOM 0 H LYS A 15 0.045 6.030 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.717 8.240 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.940 5.897 -1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.174 7.129 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.081 5.421 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.592 5.122 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.287 7.519 -3.738 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.879 7.546 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.782 6.027 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.641 5.136 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.038 6.492 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.330 6.754 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.426 7.881 -5.852 1.00 0.00 H new ATOM 241 N TYR A 16 -0.033 8.158 -0.531 1.00 0.00 N ATOM 242 CA TYR A 16 0.403 8.970 0.593 1.00 0.00 C ATOM 243 C TYR A 16 1.380 10.056 0.138 1.00 0.00 C ATOM 244 O TYR A 16 1.048 11.240 0.149 1.00 0.00 O ATOM 245 CB TYR A 16 1.126 8.018 1.547 1.00 0.00 C ATOM 246 CG TYR A 16 1.880 8.721 2.677 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.584 10.031 2.993 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.858 8.046 3.379 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.293 10.694 4.055 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.567 8.709 4.443 1.00 0.00 C ATOM 251 CZ TYR A 16 3.251 10.000 4.729 1.00 0.00 C ATOM 252 OH TYR A 16 3.921 10.626 5.732 1.00 0.00 O ATOM 0 H TYR A 16 0.400 7.236 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.448 9.464 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.398 7.333 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.830 7.413 0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.819 10.559 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.092 7.021 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.070 11.719 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.333 8.192 5.002 1.00 0.00 H new ATOM 0 HH TYR A 16 4.574 10.009 6.124 1.00 0.00 H new ATOM 262 N GLU A 17 2.567 9.613 -0.252 1.00 0.00 N ATOM 263 CA GLU A 17 3.595 10.532 -0.710 1.00 0.00 C ATOM 264 C GLU A 17 2.985 11.603 -1.616 1.00 0.00 C ATOM 265 O GLU A 17 3.351 12.774 -1.532 1.00 0.00 O ATOM 266 CB GLU A 17 4.720 9.783 -1.428 1.00 0.00 C ATOM 267 CG GLU A 17 5.531 8.938 -0.443 1.00 0.00 C ATOM 268 CD GLU A 17 6.350 9.826 0.496 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.778 10.242 1.526 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.530 10.067 0.163 1.00 0.00 O ATOM 0 H GLU A 17 2.839 8.630 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 17 4.028 11.024 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.299 9.142 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.376 10.496 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.859 8.308 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.197 8.272 -0.992 1.00 0.00 H new ATOM 278 N GLY A 18 2.064 11.163 -2.461 1.00 0.00 N ATOM 279 CA GLY A 18 1.399 12.070 -3.381 1.00 0.00 C ATOM 280 C GLY A 18 -0.099 12.157 -3.080 1.00 0.00 C ATOM 281 O GLY A 18 -0.927 11.961 -3.968 1.00 0.00 O ATOM 0 H GLY A 18 1.763 10.191 -2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.846 13.061 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.548 11.729 -4.405 1.00 0.00 H new ATOM 285 N SER A 19 -0.400 12.450 -1.823 1.00 0.00 N ATOM 286 CA SER A 19 -1.784 12.565 -1.393 1.00 0.00 C ATOM 287 C SER A 19 -2.182 14.039 -1.303 1.00 0.00 C ATOM 288 O SER A 19 -3.314 14.400 -1.622 1.00 0.00 O ATOM 289 CB SER A 19 -2.001 11.873 -0.046 1.00 0.00 C ATOM 290 OG SER A 19 -3.171 11.060 -0.046 1.00 0.00 O ATOM 0 H SER A 19 0.290 12.611 -1.089 1.00 0.00 H new ATOM 0 HA SER A 19 -2.415 12.069 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.132 11.258 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.082 12.625 0.739 1.00 0.00 H new ATOM 0 HG SER A 19 -3.036 10.292 -0.639 1.00 0.00 H new ATOM 296 N ALA A 20 -1.230 14.852 -0.868 1.00 0.00 N ATOM 297 CA ALA A 20 -1.469 16.278 -0.732 1.00 0.00 C ATOM 298 C ALA A 20 -2.516 16.515 0.359 1.00 0.00 C ATOM 299 O ALA A 20 -3.009 17.630 0.519 1.00 0.00 O ATOM 300 CB ALA A 20 -1.894 16.856 -2.082 1.00 0.00 C ATOM 0 H ALA A 20 -0.292 14.550 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.556 16.792 -0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.073 17.926 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.104 16.689 -2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.808 16.365 -2.416 1.00 0.00 H new ATOM 306 N ASP A 21 -2.822 15.447 1.081 1.00 0.00 N ATOM 307 CA ASP A 21 -3.802 15.525 2.152 1.00 0.00 C ATOM 308 C ASP A 21 -3.162 15.046 3.457 1.00 0.00 C ATOM 309 O ASP A 21 -3.725 15.235 4.534 1.00 0.00 O ATOM 310 CB ASP A 21 -5.008 14.630 1.860 1.00 0.00 C ATOM 311 CG ASP A 21 -6.362 15.221 2.259 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.936 15.943 1.415 1.00 0.00 O ATOM 313 OD2 ASP A 21 -6.792 14.939 3.398 1.00 0.00 O ATOM 0 H ASP A 21 -2.409 14.524 0.946 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.133 16.560 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.026 14.406 0.793 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.874 13.683 2.382 1.00 0.00 H new ATOM 319 N LYS A 22 -1.994 14.436 3.317 1.00 0.00 N ATOM 320 CA LYS A 22 -1.272 13.928 4.472 1.00 0.00 C ATOM 321 C LYS A 22 -2.265 13.300 5.453 1.00 0.00 C ATOM 322 O LYS A 22 -2.435 13.790 6.568 1.00 0.00 O ATOM 323 CB LYS A 22 -0.410 15.031 5.091 1.00 0.00 C ATOM 324 CG LYS A 22 0.980 15.062 4.453 1.00 0.00 C ATOM 325 CD LYS A 22 0.886 14.985 2.928 1.00 0.00 C ATOM 326 CE LYS A 22 0.161 16.207 2.361 1.00 0.00 C ATOM 327 NZ LYS A 22 1.088 17.029 1.550 1.00 0.00 N ATOM 0 H LYS A 22 -1.530 14.282 2.422 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.578 13.142 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.897 15.997 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.318 14.866 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.497 15.977 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.574 14.228 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.887 14.921 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.357 14.077 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.681 15.886 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.248 16.805 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.580 17.854 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.878 17.351 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.458 16.460 0.762 1.00 0.00 H new ATOM 341 N ASP A 23 -2.893 12.224 5.002 1.00 0.00 N ATOM 342 CA ASP A 23 -3.863 11.523 5.825 1.00 0.00 C ATOM 343 C ASP A 23 -3.858 10.038 5.459 1.00 0.00 C ATOM 344 O ASP A 23 -4.340 9.656 4.393 1.00 0.00 O ATOM 345 CB ASP A 23 -5.275 12.064 5.593 1.00 0.00 C ATOM 346 CG ASP A 23 -5.864 12.857 6.760 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.075 13.206 7.665 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.090 13.098 6.722 1.00 0.00 O ATOM 0 H ASP A 23 -2.749 11.821 4.076 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.588 11.670 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.262 12.702 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.937 11.227 5.372 1.00 0.00 H new ATOM 354 N ALA A 24 -3.308 9.240 6.362 1.00 0.00 N ATOM 355 CA ALA A 24 -3.234 7.805 6.147 1.00 0.00 C ATOM 356 C ALA A 24 -4.644 7.256 5.915 1.00 0.00 C ATOM 357 O ALA A 24 -4.805 6.132 5.441 1.00 0.00 O ATOM 358 CB ALA A 24 -2.540 7.144 7.340 1.00 0.00 C ATOM 0 H ALA A 24 -2.909 9.560 7.245 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.641 7.580 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.485 6.067 7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.533 7.547 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.107 7.346 8.249 1.00 0.00 H new ATOM 364 N ASN A 25 -5.627 8.073 6.261 1.00 0.00 N ATOM 365 CA ASN A 25 -7.017 7.683 6.096 1.00 0.00 C ATOM 366 C ASN A 25 -7.398 7.778 4.617 1.00 0.00 C ATOM 367 O ASN A 25 -7.795 6.786 4.010 1.00 0.00 O ATOM 368 CB ASN A 25 -7.946 8.609 6.884 1.00 0.00 C ATOM 369 CG ASN A 25 -9.121 7.830 7.478 1.00 0.00 C ATOM 370 OD1 ASN A 25 -9.762 7.025 6.822 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.368 8.114 8.753 1.00 0.00 N ATOM 0 H ASN A 25 -5.489 9.004 6.655 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.127 6.663 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.387 9.097 7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.320 9.397 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.133 7.647 9.240 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.793 8.798 9.244 1.00 0.00 H new ATOM 378 N VAL A 26 -7.263 8.982 4.081 1.00 0.00 N ATOM 379 CA VAL A 26 -7.587 9.220 2.685 1.00 0.00 C ATOM 380 C VAL A 26 -6.570 8.498 1.798 1.00 0.00 C ATOM 381 O VAL A 26 -6.759 8.393 0.587 1.00 0.00 O ATOM 382 CB VAL A 26 -7.656 10.724 2.412 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.556 11.023 1.212 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.125 11.485 3.653 1.00 0.00 C ATOM 0 H VAL A 26 -6.934 9.803 4.588 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.571 8.814 2.448 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.650 11.067 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.587 12.099 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.160 10.525 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.563 10.658 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.165 12.552 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.117 11.136 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.427 11.310 4.472 1.00 0.00 H new ATOM 394 N ILE A 27 -5.513 8.018 2.437 1.00 0.00 N ATOM 395 CA ILE A 27 -4.466 7.309 1.722 1.00 0.00 C ATOM 396 C ILE A 27 -4.797 5.815 1.691 1.00 0.00 C ATOM 397 O ILE A 27 -5.173 5.281 0.649 1.00 0.00 O ATOM 398 CB ILE A 27 -3.096 7.621 2.328 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.741 9.098 2.146 1.00 0.00 C ATOM 400 CG2 ILE A 27 -2.018 6.698 1.757 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.598 9.506 3.079 1.00 0.00 C ATOM 0 H ILE A 27 -5.359 8.106 3.442 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.416 7.648 0.687 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.146 7.430 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.454 9.282 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.617 9.714 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.055 6.942 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.270 5.662 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.960 6.831 0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.365 10.560 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.898 9.344 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.716 8.905 2.858 1.00 0.00 H new ATOM 413 N LYS A 28 -4.646 5.183 2.846 1.00 0.00 N ATOM 414 CA LYS A 28 -4.924 3.762 2.964 1.00 0.00 C ATOM 415 C LYS A 28 -6.162 3.419 2.133 1.00 0.00 C ATOM 416 O LYS A 28 -6.223 2.359 1.511 1.00 0.00 O ATOM 417 CB LYS A 28 -5.040 3.359 4.435 1.00 0.00 C ATOM 418 CG LYS A 28 -6.492 3.428 4.910 1.00 0.00 C ATOM 419 CD LYS A 28 -6.629 2.896 6.338 1.00 0.00 C ATOM 420 CE LYS A 28 -5.903 3.805 7.333 1.00 0.00 C ATOM 421 NZ LYS A 28 -6.877 4.599 8.114 1.00 0.00 N ATOM 0 H LYS A 28 -4.335 5.630 3.709 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.097 3.177 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.657 2.347 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.422 4.017 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.844 4.459 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.125 2.847 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.684 2.827 6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.219 1.887 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.292 3.203 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.226 4.472 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.422 5.470 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.688 4.844 7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.207 4.041 8.928 1.00 0.00 H new ATOM 435 N LYS A 29 -7.119 4.336 2.149 1.00 0.00 N ATOM 436 CA LYS A 29 -8.353 4.143 1.405 1.00 0.00 C ATOM 437 C LYS A 29 -8.051 4.191 -0.094 1.00 0.00 C ATOM 438 O LYS A 29 -8.364 3.250 -0.823 1.00 0.00 O ATOM 439 CB LYS A 29 -9.411 5.154 1.852 1.00 0.00 C ATOM 440 CG LYS A 29 -10.154 4.658 3.094 1.00 0.00 C ATOM 441 CD LYS A 29 -10.675 5.830 3.927 1.00 0.00 C ATOM 442 CE LYS A 29 -11.320 6.892 3.035 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.575 6.378 2.442 1.00 0.00 N ATOM 0 H LYS A 29 -7.065 5.214 2.665 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.776 3.160 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.936 6.112 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.121 5.324 1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.987 4.022 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.487 4.045 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.403 5.469 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.854 6.273 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.527 7.789 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.628 7.180 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.000 7.111 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.368 5.535 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.240 6.126 3.201 1.00 0.00 H new ATOM 457 N ASP A 30 -7.447 5.293 -0.509 1.00 0.00 N ATOM 458 CA ASP A 30 -7.100 5.475 -1.908 1.00 0.00 C ATOM 459 C ASP A 30 -6.531 4.167 -2.463 1.00 0.00 C ATOM 460 O ASP A 30 -7.008 3.658 -3.475 1.00 0.00 O ATOM 461 CB ASP A 30 -6.036 6.562 -2.076 1.00 0.00 C ATOM 462 CG ASP A 30 -6.524 7.849 -2.743 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.211 7.725 -3.781 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.203 8.928 -2.199 1.00 0.00 O ATOM 0 H ASP A 30 -7.188 6.070 0.099 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.003 5.769 -2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.634 6.810 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.213 6.156 -2.664 1.00 0.00 H new ATOM 470 N PHE A 31 -5.519 3.660 -1.774 1.00 0.00 N ATOM 471 CA PHE A 31 -4.880 2.422 -2.183 1.00 0.00 C ATOM 472 C PHE A 31 -5.920 1.375 -2.585 1.00 0.00 C ATOM 473 O PHE A 31 -5.916 0.891 -3.716 1.00 0.00 O ATOM 474 CB PHE A 31 -4.091 1.905 -0.979 1.00 0.00 C ATOM 475 CG PHE A 31 -3.747 0.416 -1.053 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.675 -0.515 -0.705 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.512 0.024 -1.467 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.355 -1.897 -0.775 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.192 -1.358 -1.536 1.00 0.00 C ATOM 480 CZ PHE A 31 -3.120 -2.289 -1.188 1.00 0.00 C ATOM 0 H PHE A 31 -5.126 4.085 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.235 2.603 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.167 2.477 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.668 2.089 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.655 -0.204 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.775 0.764 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.092 -2.637 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.212 -1.669 -1.865 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.876 -3.340 -1.240 1.00 0.00 H new ATOM 490 N ASP A 32 -6.787 1.054 -1.636 1.00 0.00 N ATOM 491 CA ASP A 32 -7.832 0.074 -1.875 1.00 0.00 C ATOM 492 C ASP A 32 -8.554 0.413 -3.182 1.00 0.00 C ATOM 493 O ASP A 32 -9.075 -0.474 -3.856 1.00 0.00 O ATOM 494 CB ASP A 32 -8.866 0.082 -0.749 1.00 0.00 C ATOM 495 CG ASP A 32 -10.026 -0.898 -0.927 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.832 -2.080 -0.566 1.00 0.00 O ATOM 497 OD2 ASP A 32 -11.082 -0.446 -1.420 1.00 0.00 O ATOM 0 H ASP A 32 -6.787 1.456 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.365 -0.909 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.360 -0.145 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.272 1.089 -0.657 1.00 0.00 H new ATOM 503 N ALA A 33 -8.562 1.699 -3.499 1.00 0.00 N ATOM 504 CA ALA A 33 -9.211 2.166 -4.711 1.00 0.00 C ATOM 505 C ALA A 33 -8.497 1.574 -5.929 1.00 0.00 C ATOM 506 O ALA A 33 -9.113 0.881 -6.737 1.00 0.00 O ATOM 507 CB ALA A 33 -9.219 3.697 -4.730 1.00 0.00 C ATOM 0 H ALA A 33 -8.129 2.432 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.248 1.833 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.706 4.047 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.762 4.069 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.194 4.067 -4.702 1.00 0.00 H new ATOM 513 N GLU A 34 -7.209 1.867 -6.020 1.00 0.00 N ATOM 514 CA GLU A 34 -6.405 1.371 -7.124 1.00 0.00 C ATOM 515 C GLU A 34 -5.818 0.001 -6.780 1.00 0.00 C ATOM 516 O GLU A 34 -4.796 -0.398 -7.336 1.00 0.00 O ATOM 517 CB GLU A 34 -5.299 2.364 -7.487 1.00 0.00 C ATOM 518 CG GLU A 34 -4.700 2.042 -8.857 1.00 0.00 C ATOM 519 CD GLU A 34 -5.798 1.852 -9.905 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.742 2.672 -9.892 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.669 0.892 -10.694 1.00 0.00 O ATOM 0 H GLU A 34 -6.702 2.442 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.050 1.261 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.702 3.377 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.517 2.336 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.034 2.848 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.096 1.137 -8.790 1.00 0.00 H new ATOM 529 N CYS A 35 -6.491 -0.683 -5.866 1.00 0.00 N ATOM 530 CA CYS A 35 -6.050 -2.000 -5.441 1.00 0.00 C ATOM 531 C CYS A 35 -7.152 -3.008 -5.776 1.00 0.00 C ATOM 532 O CYS A 35 -6.893 -4.030 -6.410 1.00 0.00 O ATOM 533 CB CYS A 35 -5.688 -2.024 -3.955 1.00 0.00 C ATOM 534 SG CYS A 35 -4.600 -3.408 -3.452 1.00 0.00 S ATOM 0 H CYS A 35 -7.339 -0.349 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.138 -2.269 -5.974 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.198 -1.084 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.608 -2.073 -3.372 1.00 0.00 H new ATOM 539 N LYS A 36 -8.359 -2.684 -5.336 1.00 0.00 N ATOM 540 CA LYS A 36 -9.501 -3.547 -5.580 1.00 0.00 C ATOM 541 C LYS A 36 -9.841 -3.526 -7.072 1.00 0.00 C ATOM 542 O LYS A 36 -10.013 -4.577 -7.688 1.00 0.00 O ATOM 543 CB LYS A 36 -10.673 -3.154 -4.678 1.00 0.00 C ATOM 544 CG LYS A 36 -10.610 -3.900 -3.343 1.00 0.00 C ATOM 545 CD LYS A 36 -11.910 -4.664 -3.080 1.00 0.00 C ATOM 546 CE LYS A 36 -11.941 -5.219 -1.655 1.00 0.00 C ATOM 547 NZ LYS A 36 -10.569 -5.504 -1.179 1.00 0.00 N ATOM 0 H LYS A 36 -8.570 -1.835 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.261 -4.578 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.655 -2.079 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.614 -3.378 -5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.770 -4.595 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.430 -3.191 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.762 -4.003 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.007 -5.481 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.421 -4.502 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.539 -6.130 -1.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.615 -6.063 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.054 -6.041 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.073 -4.609 -0.993 1.00 0.00 H new ATOM 561 N LYS A 37 -9.928 -2.318 -7.610 1.00 0.00 N ATOM 562 CA LYS A 37 -10.244 -2.147 -9.018 1.00 0.00 C ATOM 563 C LYS A 37 -9.039 -2.570 -9.861 1.00 0.00 C ATOM 564 O LYS A 37 -9.200 -3.180 -10.918 1.00 0.00 O ATOM 565 CB LYS A 37 -10.714 -0.717 -9.291 1.00 0.00 C ATOM 566 CG LYS A 37 -12.160 -0.518 -8.833 1.00 0.00 C ATOM 567 CD LYS A 37 -12.252 0.583 -7.774 1.00 0.00 C ATOM 568 CE LYS A 37 -12.680 1.912 -8.402 1.00 0.00 C ATOM 569 NZ LYS A 37 -11.537 2.549 -9.095 1.00 0.00 N ATOM 0 H LYS A 37 -9.785 -1.449 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.076 -2.791 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.064 -0.012 -8.773 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.633 -0.501 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.784 -0.258 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.549 -1.452 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.967 0.293 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.286 0.703 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.493 1.742 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.063 2.579 -7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.844 3.449 -9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.773 2.728 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.190 1.917 -9.845 1.00 0.00 H new ATOM 583 N LEU A 38 -7.859 -2.230 -9.363 1.00 0.00 N ATOM 584 CA LEU A 38 -6.628 -2.567 -10.057 1.00 0.00 C ATOM 585 C LEU A 38 -6.482 -4.089 -10.119 1.00 0.00 C ATOM 586 O LEU A 38 -6.350 -4.661 -11.200 1.00 0.00 O ATOM 587 CB LEU A 38 -5.436 -1.861 -9.409 1.00 0.00 C ATOM 588 CG LEU A 38 -4.116 -1.928 -10.179 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.950 -1.451 -9.312 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.878 -3.333 -10.737 1.00 0.00 C ATOM 0 H LEU A 38 -7.730 -1.724 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.661 -2.207 -11.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.696 -0.812 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.279 -2.291 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.182 -1.250 -11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.024 -1.509 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.123 -0.420 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.871 -2.084 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.933 -3.354 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.840 -4.049 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.691 -3.599 -11.413 1.00 0.00 H new ATOM 602 N PHE A 39 -6.512 -4.703 -8.945 1.00 0.00 N ATOM 603 CA PHE A 39 -6.385 -6.146 -8.851 1.00 0.00 C ATOM 604 C PHE A 39 -7.756 -6.823 -8.924 1.00 0.00 C ATOM 605 O PHE A 39 -7.936 -7.925 -8.408 1.00 0.00 O ATOM 606 CB PHE A 39 -5.749 -6.453 -7.493 1.00 0.00 C ATOM 607 CG PHE A 39 -4.379 -5.803 -7.288 1.00 0.00 C ATOM 608 CD1 PHE A 39 -3.357 -6.088 -8.138 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.185 -4.941 -6.254 1.00 0.00 C ATOM 610 CE1 PHE A 39 -2.086 -5.486 -7.946 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.913 -4.338 -6.062 1.00 0.00 C ATOM 612 CZ PHE A 39 -1.890 -4.623 -6.913 1.00 0.00 C ATOM 0 H PHE A 39 -6.623 -4.226 -8.050 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.780 -6.520 -9.677 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.421 -6.117 -6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.647 -7.533 -7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.512 -6.772 -8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.997 -4.715 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.274 -5.713 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.758 -3.654 -5.241 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.923 -4.164 -6.768 1.00 0.00 H new ATOM 622 N HIS A 40 -8.687 -6.135 -9.567 1.00 0.00 N ATOM 623 CA HIS A 40 -10.036 -6.656 -9.713 1.00 0.00 C ATOM 624 C HIS A 40 -9.976 -8.106 -10.198 1.00 0.00 C ATOM 625 O HIS A 40 -10.543 -8.999 -9.568 1.00 0.00 O ATOM 626 CB HIS A 40 -10.868 -5.758 -10.631 1.00 0.00 C ATOM 627 CG HIS A 40 -11.769 -6.515 -11.577 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.433 -7.673 -11.215 1.00 0.00 N ATOM 629 CD2 HIS A 40 -12.109 -6.266 -12.875 1.00 0.00 C ATOM 630 CE1 HIS A 40 -13.137 -8.095 -12.254 1.00 0.00 C ATOM 631 NE2 HIS A 40 -12.935 -7.221 -13.283 1.00 0.00 N ATOM 0 H HIS A 40 -8.534 -5.221 -9.993 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.538 -6.653 -8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.477 -5.094 -10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.196 -5.127 -11.212 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.388 -8.125 -10.302 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.764 -5.433 -13.469 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.761 -8.976 -12.282 1.00 0.00 H new ATOM 640 N THR A 41 -9.284 -8.297 -11.311 1.00 0.00 N ATOM 641 CA THR A 41 -9.143 -9.623 -11.887 1.00 0.00 C ATOM 642 C THR A 41 -7.876 -10.301 -11.360 1.00 0.00 C ATOM 643 O THR A 41 -7.018 -10.711 -12.139 1.00 0.00 O ATOM 644 CB THR A 41 -9.168 -9.482 -13.410 1.00 0.00 C ATOM 645 OG1 THR A 41 -7.988 -8.742 -13.711 1.00 0.00 O ATOM 646 CG2 THR A 41 -10.306 -8.583 -13.896 1.00 0.00 C ATOM 0 H THR A 41 -8.814 -7.555 -11.830 1.00 0.00 H new ATOM 0 HA THR A 41 -9.968 -10.272 -11.593 1.00 0.00 H new ATOM 0 HB THR A 41 -9.266 -10.468 -13.864 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.210 -9.195 -13.323 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.278 -8.517 -14.984 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.261 -9.004 -13.582 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.191 -7.587 -13.469 1.00 0.00 H new ATOM 654 N ILE A 42 -7.801 -10.398 -10.041 1.00 0.00 N ATOM 655 CA ILE A 42 -6.654 -11.019 -9.402 1.00 0.00 C ATOM 656 C ILE A 42 -7.139 -11.965 -8.301 1.00 0.00 C ATOM 657 O ILE A 42 -8.130 -11.684 -7.629 1.00 0.00 O ATOM 658 CB ILE A 42 -5.673 -9.954 -8.907 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.103 -9.148 -10.077 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.570 -10.578 -8.050 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.990 -9.923 -10.785 1.00 0.00 C ATOM 0 H ILE A 42 -8.516 -10.057 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.099 -11.622 -10.121 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.219 -9.257 -8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.898 -8.917 -10.786 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.714 -8.197 -9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.887 -9.799 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.016 -11.070 -7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.020 -11.310 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.602 -9.329 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.186 -10.131 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.388 -10.862 -11.169 1.00 0.00 H new ATOM 673 N PRO A 43 -6.400 -13.096 -8.148 1.00 0.00 N ATOM 674 CA PRO A 43 -6.744 -14.085 -7.141 1.00 0.00 C ATOM 675 C PRO A 43 -6.357 -13.601 -5.742 1.00 0.00 C ATOM 676 O PRO A 43 -5.186 -13.643 -5.369 1.00 0.00 O ATOM 677 CB PRO A 43 -6.006 -15.346 -7.559 1.00 0.00 C ATOM 678 CG PRO A 43 -4.913 -14.892 -8.513 1.00 0.00 C ATOM 679 CD PRO A 43 -5.220 -13.462 -8.926 1.00 0.00 C ATOM 0 HA PRO A 43 -7.817 -14.269 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.582 -15.856 -6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -6.681 -16.051 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.937 -14.949 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.875 -15.542 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.382 -12.799 -8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.414 -13.392 -9.996 1.00 0.00 H new ATOM 687 N PHE A 44 -7.365 -13.154 -5.006 1.00 0.00 N ATOM 688 CA PHE A 44 -7.144 -12.663 -3.656 1.00 0.00 C ATOM 689 C PHE A 44 -6.481 -11.285 -3.676 1.00 0.00 C ATOM 690 O PHE A 44 -6.244 -10.690 -2.625 1.00 0.00 O ATOM 691 CB PHE A 44 -6.208 -13.656 -2.965 1.00 0.00 C ATOM 692 CG PHE A 44 -6.061 -13.430 -1.460 1.00 0.00 C ATOM 693 CD1 PHE A 44 -5.230 -12.458 -0.996 1.00 0.00 C ATOM 694 CD2 PHE A 44 -6.762 -14.200 -0.584 1.00 0.00 C ATOM 695 CE1 PHE A 44 -5.094 -12.247 0.401 1.00 0.00 C ATOM 696 CE2 PHE A 44 -6.625 -13.989 0.813 1.00 0.00 C ATOM 697 CZ PHE A 44 -5.794 -13.017 1.277 1.00 0.00 C ATOM 0 H PHE A 44 -8.335 -13.122 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.096 -12.571 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.578 -14.667 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.224 -13.594 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.674 -11.847 -1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.422 -14.971 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.434 -11.475 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.181 -14.601 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.690 -12.857 2.340 1.00 0.00 H new ATOM 707 N GLY A 45 -6.199 -10.815 -4.883 1.00 0.00 N ATOM 708 CA GLY A 45 -5.568 -9.518 -5.053 1.00 0.00 C ATOM 709 C GLY A 45 -6.277 -8.449 -4.221 1.00 0.00 C ATOM 710 O GLY A 45 -5.630 -7.652 -3.545 1.00 0.00 O ATOM 0 H GLY A 45 -6.396 -11.310 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.521 -9.578 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.587 -9.236 -6.106 1.00 0.00 H new ATOM 714 N THR A 46 -7.600 -8.467 -4.298 1.00 0.00 N ATOM 715 CA THR A 46 -8.406 -7.508 -3.560 1.00 0.00 C ATOM 716 C THR A 46 -8.439 -7.871 -2.074 1.00 0.00 C ATOM 717 O THR A 46 -8.502 -6.991 -1.218 1.00 0.00 O ATOM 718 CB THR A 46 -9.793 -7.460 -4.204 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.267 -8.801 -4.109 1.00 0.00 O ATOM 720 CG2 THR A 46 -9.730 -7.194 -5.710 1.00 0.00 C ATOM 0 H THR A 46 -8.134 -9.130 -4.860 1.00 0.00 H new ATOM 0 HA THR A 46 -7.974 -6.508 -3.609 1.00 0.00 H new ATOM 0 HB THR A 46 -10.390 -6.685 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.163 -8.860 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.741 -7.170 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.243 -6.236 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.162 -7.987 -6.196 1.00 0.00 H new ATOM 728 N ARG A 47 -8.393 -9.169 -1.813 1.00 0.00 N ATOM 729 CA ARG A 47 -8.417 -9.660 -0.446 1.00 0.00 C ATOM 730 C ARG A 47 -7.201 -9.143 0.324 1.00 0.00 C ATOM 731 O ARG A 47 -7.305 -8.802 1.502 1.00 0.00 O ATOM 732 CB ARG A 47 -8.422 -11.189 -0.409 1.00 0.00 C ATOM 733 CG ARG A 47 -9.819 -11.739 -0.704 1.00 0.00 C ATOM 734 CD ARG A 47 -9.738 -13.038 -1.511 1.00 0.00 C ATOM 735 NE ARG A 47 -10.670 -14.041 -0.949 1.00 0.00 N ATOM 736 CZ ARG A 47 -10.585 -14.534 0.294 1.00 0.00 C ATOM 737 NH1 ARG A 47 -9.609 -14.119 1.114 1.00 0.00 N ATOM 738 NH2 ARG A 47 -11.475 -15.440 0.718 1.00 0.00 N ATOM 0 H ARG A 47 -8.339 -9.896 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.331 -9.294 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.713 -11.577 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.091 -11.534 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.347 -11.920 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.396 -10.998 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.986 -12.844 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.719 -13.425 -1.492 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.425 -14.378 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.931 -13.428 0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.544 -14.494 2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.218 -15.755 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.410 -15.815 1.664 1.00 0.00 H new ATOM 752 N GLU A 48 -6.074 -9.101 -0.371 1.00 0.00 N ATOM 753 CA GLU A 48 -4.838 -8.630 0.232 1.00 0.00 C ATOM 754 C GLU A 48 -4.894 -7.116 0.444 1.00 0.00 C ATOM 755 O GLU A 48 -4.358 -6.602 1.426 1.00 0.00 O ATOM 756 CB GLU A 48 -3.629 -9.021 -0.619 1.00 0.00 C ATOM 757 CG GLU A 48 -2.494 -9.561 0.256 1.00 0.00 C ATOM 758 CD GLU A 48 -2.408 -8.793 1.577 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.170 -7.568 1.507 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.581 -9.449 2.627 1.00 0.00 O ATOM 0 H GLU A 48 -5.990 -9.386 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.725 -9.109 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.922 -9.776 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.279 -8.155 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.657 -10.620 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.548 -9.480 -0.279 1.00 0.00 H new ATOM 768 N CYS A 49 -5.545 -6.443 -0.493 1.00 0.00 N ATOM 769 CA CYS A 49 -5.677 -4.998 -0.422 1.00 0.00 C ATOM 770 C CYS A 49 -6.169 -4.629 0.980 1.00 0.00 C ATOM 771 O CYS A 49 -5.444 -4.003 1.750 1.00 0.00 O ATOM 772 CB CYS A 49 -6.605 -4.460 -1.512 1.00 0.00 C ATOM 773 SG CYS A 49 -6.074 -4.829 -3.224 1.00 0.00 S ATOM 0 H CYS A 49 -5.987 -6.872 -1.306 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.708 -4.533 -0.600 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.601 -4.875 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.688 -3.379 -1.398 1.00 0.00 H new ATOM 778 N ASP A 50 -7.398 -5.033 1.266 1.00 0.00 N ATOM 779 CA ASP A 50 -7.995 -4.754 2.561 1.00 0.00 C ATOM 780 C ASP A 50 -7.087 -5.298 3.665 1.00 0.00 C ATOM 781 O ASP A 50 -7.094 -4.791 4.785 1.00 0.00 O ATOM 782 CB ASP A 50 -9.360 -5.429 2.695 1.00 0.00 C ATOM 783 CG ASP A 50 -10.137 -5.072 3.964 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.590 -3.910 4.044 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.259 -5.968 4.826 1.00 0.00 O ATOM 0 H ASP A 50 -7.997 -5.551 0.623 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.117 -3.675 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.966 -5.163 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.219 -6.509 2.666 1.00 0.00 H new ATOM 791 N HIS A 51 -6.328 -6.324 3.310 1.00 0.00 N ATOM 792 CA HIS A 51 -5.416 -6.944 4.257 1.00 0.00 C ATOM 793 C HIS A 51 -4.079 -6.201 4.243 1.00 0.00 C ATOM 794 O HIS A 51 -3.107 -6.651 4.849 1.00 0.00 O ATOM 795 CB HIS A 51 -5.267 -8.438 3.969 1.00 0.00 C ATOM 796 CG HIS A 51 -4.893 -9.263 5.179 1.00 0.00 C ATOM 797 ND1 HIS A 51 -3.853 -10.176 5.171 1.00 0.00 N ATOM 798 CD2 HIS A 51 -5.432 -9.302 6.431 1.00 0.00 C ATOM 799 CE1 HIS A 51 -3.778 -10.733 6.370 1.00 0.00 C ATOM 800 NE2 HIS A 51 -4.758 -10.191 7.150 1.00 0.00 N ATOM 0 H HIS A 51 -6.326 -6.742 2.380 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.824 -6.867 5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.205 -8.814 3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.507 -8.575 3.200 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -3.248 -10.384 4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.266 -8.710 6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.066 -11.485 6.677 1.00 0.00 H new ATOM 809 N TYR A 52 -4.071 -5.075 3.545 1.00 0.00 N ATOM 810 CA TYR A 52 -2.869 -4.265 3.444 1.00 0.00 C ATOM 811 C TYR A 52 -3.060 -2.911 4.131 1.00 0.00 C ATOM 812 O TYR A 52 -2.266 -2.528 4.988 1.00 0.00 O ATOM 813 CB TYR A 52 -2.639 -4.036 1.949 1.00 0.00 C ATOM 814 CG TYR A 52 -1.183 -3.735 1.583 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.189 -4.631 1.915 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.867 -2.567 0.920 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.180 -4.348 1.570 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.502 -2.284 0.574 1.00 0.00 C ATOM 819 CZ TYR A 52 1.458 -3.189 0.917 1.00 0.00 C ATOM 820 OH TYR A 52 2.751 -2.920 0.592 1.00 0.00 O ATOM 0 H TYR A 52 -4.878 -4.704 3.044 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.028 -4.765 3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.965 -4.920 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.265 -3.207 1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.437 -5.545 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.646 -1.865 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.968 -5.041 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.764 -1.374 0.054 1.00 0.00 H new ATOM 0 HH TYR A 52 3.165 -3.721 0.208 1.00 0.00 H new ATOM 830 N VAL A 53 -4.119 -2.224 3.728 1.00 0.00 N ATOM 831 CA VAL A 53 -4.427 -0.921 4.294 1.00 0.00 C ATOM 832 C VAL A 53 -4.962 -1.100 5.715 1.00 0.00 C ATOM 833 O VAL A 53 -6.069 -0.663 6.026 1.00 0.00 O ATOM 834 CB VAL A 53 -5.395 -0.168 3.380 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.050 -0.398 1.907 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.844 -0.565 3.672 1.00 0.00 C ATOM 0 H VAL A 53 -4.775 -2.545 3.016 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.526 -0.312 4.361 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.291 0.897 3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.754 0.148 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.038 -0.044 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.113 -1.462 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.512 -0.016 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.968 -1.635 3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.085 -0.327 4.708 1.00 0.00 H new ATOM 846 N ASN A 54 -4.151 -1.744 6.543 1.00 0.00 N ATOM 847 CA ASN A 54 -4.530 -1.987 7.924 1.00 0.00 C ATOM 848 C ASN A 54 -3.445 -2.822 8.607 1.00 0.00 C ATOM 849 O ASN A 54 -3.748 -3.720 9.390 1.00 0.00 O ATOM 850 CB ASN A 54 -5.845 -2.764 8.006 1.00 0.00 C ATOM 851 CG ASN A 54 -6.571 -2.475 9.321 1.00 0.00 C ATOM 852 OD1 ASN A 54 -7.674 -1.745 9.182 1.00 0.00 O flip ATOM 853 ND2 ASN A 54 -6.158 -2.888 10.393 1.00 0.00 N flip ATOM 0 H ASN A 54 -3.233 -2.105 6.283 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.650 -1.021 8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.485 -2.493 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.646 -3.833 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.304 -3.444 10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.667 -2.677 11.251 1.00 0.00 H new ATOM 860 N SER A 55 -2.201 -2.494 8.286 1.00 0.00 N ATOM 861 CA SER A 55 -1.069 -3.203 8.859 1.00 0.00 C ATOM 862 C SER A 55 0.192 -2.921 8.040 1.00 0.00 C ATOM 863 O SER A 55 1.301 -2.947 8.572 1.00 0.00 O ATOM 864 CB SER A 55 -1.335 -4.707 8.922 1.00 0.00 C ATOM 865 OG SER A 55 -1.743 -5.123 10.223 1.00 0.00 O ATOM 0 H SER A 55 -1.953 -1.747 7.637 1.00 0.00 H new ATOM 0 HA SER A 55 -0.921 -2.845 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.107 -4.969 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.433 -5.247 8.635 1.00 0.00 H new ATOM 0 HG SER A 55 -2.635 -4.766 10.416 1.00 0.00 H new ATOM 871 N LYS A 56 -0.019 -2.658 6.759 1.00 0.00 N ATOM 872 CA LYS A 56 1.088 -2.371 5.861 1.00 0.00 C ATOM 873 C LYS A 56 1.045 -0.896 5.459 1.00 0.00 C ATOM 874 O LYS A 56 1.921 -0.419 4.740 1.00 0.00 O ATOM 875 CB LYS A 56 1.075 -3.334 4.671 1.00 0.00 C ATOM 876 CG LYS A 56 1.011 -4.787 5.143 1.00 0.00 C ATOM 877 CD LYS A 56 2.385 -5.274 5.611 1.00 0.00 C ATOM 878 CE LYS A 56 2.473 -5.280 7.138 1.00 0.00 C ATOM 879 NZ LYS A 56 3.356 -6.373 7.602 1.00 0.00 N ATOM 0 H LYS A 56 -0.940 -2.637 6.321 1.00 0.00 H new ATOM 0 HA LYS A 56 2.040 -2.536 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.219 -3.117 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.970 -3.183 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.293 -4.877 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.654 -5.421 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.569 -6.278 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.162 -4.629 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.855 -4.322 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.478 -5.403 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.405 -6.363 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.975 -7.286 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.310 -6.239 7.210 1.00 0.00 H new ATOM 893 N VAL A 57 0.016 -0.214 5.942 1.00 0.00 N ATOM 894 CA VAL A 57 -0.153 1.198 5.641 1.00 0.00 C ATOM 895 C VAL A 57 0.391 2.030 6.804 1.00 0.00 C ATOM 896 O VAL A 57 0.715 3.205 6.633 1.00 0.00 O ATOM 897 CB VAL A 57 -1.622 1.494 5.329 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.128 2.680 6.152 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.825 1.738 3.833 1.00 0.00 C ATOM 0 H VAL A 57 -0.708 -0.613 6.539 1.00 0.00 H new ATOM 0 HA VAL A 57 0.415 1.471 4.752 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.208 0.618 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.174 2.870 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.035 2.452 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.536 3.565 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.877 1.946 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.222 2.590 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.521 0.852 3.275 1.00 0.00 H new ATOM 909 N ASP A 58 0.475 1.390 7.961 1.00 0.00 N ATOM 910 CA ASP A 58 0.974 2.057 9.151 1.00 0.00 C ATOM 911 C ASP A 58 2.502 2.101 9.103 1.00 0.00 C ATOM 912 O ASP A 58 3.106 3.128 9.407 1.00 0.00 O ATOM 913 CB ASP A 58 0.562 1.304 10.418 1.00 0.00 C ATOM 914 CG ASP A 58 -0.224 2.132 11.436 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.320 2.601 11.061 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.290 2.277 12.566 1.00 0.00 O ATOM 0 H ASP A 58 0.206 0.416 8.099 1.00 0.00 H new ATOM 0 HA ASP A 58 0.553 3.062 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.040 0.442 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.460 0.918 10.901 1.00 0.00 H new ATOM 922 N PRO A 59 3.099 0.944 8.708 1.00 0.00 N ATOM 923 CA PRO A 59 4.545 0.841 8.616 1.00 0.00 C ATOM 924 C PRO A 59 5.069 1.575 7.379 1.00 0.00 C ATOM 925 O PRO A 59 5.972 2.403 7.481 1.00 0.00 O ATOM 926 CB PRO A 59 4.832 -0.650 8.589 1.00 0.00 C ATOM 927 CG PRO A 59 3.525 -1.320 8.199 1.00 0.00 C ATOM 928 CD PRO A 59 2.414 -0.292 8.340 1.00 0.00 C ATOM 0 HA PRO A 59 5.055 1.315 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.619 -0.883 7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.174 -0.999 9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.576 -1.689 7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.332 -2.181 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.861 -0.176 7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.694 -0.588 9.103 1.00 0.00 H new ATOM 936 N ILE A 60 4.480 1.243 6.240 1.00 0.00 N ATOM 937 CA ILE A 60 4.876 1.859 4.985 1.00 0.00 C ATOM 938 C ILE A 60 4.955 3.375 5.170 1.00 0.00 C ATOM 939 O ILE A 60 5.973 3.990 4.853 1.00 0.00 O ATOM 940 CB ILE A 60 3.939 1.424 3.856 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.223 -0.018 3.431 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.017 2.396 2.676 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.259 -0.465 2.330 1.00 0.00 C ATOM 0 H ILE A 60 3.731 0.555 6.160 1.00 0.00 H new ATOM 0 HA ILE A 60 5.870 1.521 4.691 1.00 0.00 H new ATOM 0 HB ILE A 60 2.916 1.452 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.250 -0.101 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.129 -0.680 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.342 2.065 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.727 3.393 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.037 2.423 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.483 -1.493 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.234 -0.404 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.372 0.184 1.462 1.00 0.00 H new ATOM 955 N ILE A 61 3.870 3.935 5.681 1.00 0.00 N ATOM 956 CA ILE A 61 3.803 5.368 5.911 1.00 0.00 C ATOM 957 C ILE A 61 4.839 5.759 6.966 1.00 0.00 C ATOM 958 O ILE A 61 5.247 6.916 7.043 1.00 0.00 O ATOM 959 CB ILE A 61 2.375 5.789 6.265 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.382 5.302 5.208 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.287 7.302 6.481 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.059 5.581 5.640 1.00 0.00 C ATOM 0 H ILE A 61 3.028 3.422 5.943 1.00 0.00 H new ATOM 0 HA ILE A 61 4.053 5.912 5.000 1.00 0.00 H new ATOM 0 HB ILE A 61 2.102 5.313 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.583 5.798 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.516 4.233 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.262 7.575 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.949 7.592 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.587 7.818 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.745 5.225 4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.265 5.064 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.196 6.653 5.780 1.00 0.00 H new ATOM 974 N HIS A 62 5.236 4.770 7.755 1.00 0.00 N ATOM 975 CA HIS A 62 6.217 4.996 8.803 1.00 0.00 C ATOM 976 C HIS A 62 7.603 5.169 8.180 1.00 0.00 C ATOM 977 O HIS A 62 8.496 5.749 8.796 1.00 0.00 O ATOM 978 CB HIS A 62 6.170 3.874 9.842 1.00 0.00 C ATOM 979 CG HIS A 62 7.359 2.945 9.796 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.141 2.549 8.752 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.859 2.312 10.922 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.069 1.720 9.213 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.896 1.571 10.558 1.00 0.00 N flip ATOM 0 H HIS A 62 4.896 3.811 7.689 1.00 0.00 H new ATOM 0 HA HIS A 62 5.979 5.916 9.336 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.105 4.316 10.836 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.261 3.292 9.692 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.470 2.406 11.925 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.835 1.242 8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.465 0.991 11.175 1.00 0.00 H new ATOM 992 N GLU A 63 7.739 4.657 6.966 1.00 0.00 N ATOM 993 CA GLU A 63 9.001 4.748 6.252 1.00 0.00 C ATOM 994 C GLU A 63 9.127 6.109 5.566 1.00 0.00 C ATOM 995 O GLU A 63 10.176 6.747 5.631 1.00 0.00 O ATOM 996 CB GLU A 63 9.143 3.608 5.241 1.00 0.00 C ATOM 997 CG GLU A 63 9.980 2.464 5.818 1.00 0.00 C ATOM 998 CD GLU A 63 9.189 1.155 5.823 1.00 0.00 C ATOM 999 OE1 GLU A 63 8.391 0.977 6.769 1.00 0.00 O ATOM 1000 OE2 GLU A 63 9.400 0.360 4.881 1.00 0.00 O ATOM 0 H GLU A 63 6.996 4.177 6.458 1.00 0.00 H new ATOM 0 HA GLU A 63 9.812 4.652 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.156 3.237 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.610 3.981 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.889 2.341 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.288 2.711 6.834 1.00 0.00 H new ATOM 1008 N LEU A 64 8.041 6.513 4.923 1.00 0.00 N ATOM 1009 CA LEU A 64 8.016 7.787 4.224 1.00 0.00 C ATOM 1010 C LEU A 64 8.060 8.925 5.247 1.00 0.00 C ATOM 1011 O LEU A 64 8.784 9.902 5.062 1.00 0.00 O ATOM 1012 CB LEU A 64 6.815 7.857 3.279 1.00 0.00 C ATOM 1013 CG LEU A 64 6.626 6.659 2.346 1.00 0.00 C ATOM 1014 CD1 LEU A 64 5.164 6.523 1.918 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.569 6.746 1.145 1.00 0.00 C ATOM 0 H LEU A 64 7.172 5.981 4.871 1.00 0.00 H new ATOM 0 HA LEU A 64 8.897 7.891 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.912 7.971 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.909 8.756 2.670 1.00 0.00 H new ATOM 0 HG LEU A 64 6.886 5.754 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.057 5.664 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.539 6.381 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.853 7.427 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.414 5.883 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.364 7.659 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.602 6.758 1.493 1.00 0.00 H new ATOM 1027 N GLU A 65 7.277 8.761 6.302 1.00 0.00 N ATOM 1028 CA GLU A 65 7.217 9.761 7.353 1.00 0.00 C ATOM 1029 C GLU A 65 8.599 9.954 7.982 1.00 0.00 C ATOM 1030 O GLU A 65 8.971 11.070 8.343 1.00 0.00 O ATOM 1031 CB GLU A 65 6.182 9.382 8.414 1.00 0.00 C ATOM 1032 CG GLU A 65 6.743 8.339 9.381 1.00 0.00 C ATOM 1033 CD GLU A 65 7.671 8.990 10.410 1.00 0.00 C ATOM 1034 OE1 GLU A 65 7.312 10.088 10.885 1.00 0.00 O ATOM 1035 OE2 GLU A 65 8.720 8.372 10.698 1.00 0.00 O ATOM 0 H GLU A 65 6.678 7.949 6.452 1.00 0.00 H new ATOM 0 HA GLU A 65 6.905 10.706 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.881 10.272 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.287 8.990 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.924 7.834 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.289 7.577 8.824 1.00 0.00 H new ATOM 1043 N GLY A 66 9.322 8.849 8.093 1.00 0.00 N ATOM 1044 CA GLY A 66 10.655 8.883 8.672 1.00 0.00 C ATOM 1045 C GLY A 66 11.638 9.597 7.743 1.00 0.00 C ATOM 1046 O GLY A 66 12.027 10.735 8.001 1.00 0.00 O ATOM 0 H GLY A 66 9.011 7.925 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.624 9.392 9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.000 7.866 8.860 1.00 0.00 H new ATOM 1050 N GLY A 67 12.011 8.900 6.679 1.00 0.00 N ATOM 1051 CA GLY A 67 12.942 9.453 5.710 1.00 0.00 C ATOM 1052 C GLY A 67 13.274 8.431 4.623 1.00 0.00 C ATOM 1053 O GLY A 67 14.409 8.364 4.153 1.00 0.00 O ATOM 0 H GLY A 67 11.685 7.957 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.512 10.345 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.857 9.762 6.215 1.00 0.00 H new ATOM 1057 N THR A 68 12.263 7.658 4.253 1.00 0.00 N ATOM 1058 CA THR A 68 12.433 6.641 3.229 1.00 0.00 C ATOM 1059 C THR A 68 11.635 7.007 1.977 1.00 0.00 C ATOM 1060 O THR A 68 10.746 7.855 2.029 1.00 0.00 O ATOM 1061 CB THR A 68 12.034 5.292 3.831 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.058 5.022 4.787 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.151 4.144 2.826 1.00 0.00 C ATOM 0 H THR A 68 11.323 7.716 4.644 1.00 0.00 H new ATOM 0 HA THR A 68 13.472 6.574 2.906 1.00 0.00 H new ATOM 0 HB THR A 68 11.010 5.348 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.877 4.165 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.856 3.210 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.498 4.338 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.182 4.066 2.482 1.00 0.00 H new ATOM 1071 N ALA A 69 11.982 6.348 0.880 1.00 0.00 N ATOM 1072 CA ALA A 69 11.308 6.593 -0.384 1.00 0.00 C ATOM 1073 C ALA A 69 10.159 5.597 -0.546 1.00 0.00 C ATOM 1074 O ALA A 69 10.047 4.642 0.221 1.00 0.00 O ATOM 1075 CB ALA A 69 12.322 6.505 -1.528 1.00 0.00 C ATOM 0 H ALA A 69 12.720 5.645 0.841 1.00 0.00 H new ATOM 0 HA ALA A 69 10.880 7.595 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.817 6.689 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.102 7.252 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.770 5.511 -1.542 1.00 0.00 H new ATOM 1081 N PRO A 70 9.311 5.859 -1.577 1.00 0.00 N ATOM 1082 CA PRO A 70 8.174 4.997 -1.850 1.00 0.00 C ATOM 1083 C PRO A 70 8.622 3.690 -2.506 1.00 0.00 C ATOM 1084 O PRO A 70 8.087 2.624 -2.206 1.00 0.00 O ATOM 1085 CB PRO A 70 7.257 5.823 -2.736 1.00 0.00 C ATOM 1086 CG PRO A 70 8.121 6.937 -3.307 1.00 0.00 C ATOM 1087 CD PRO A 70 9.412 6.981 -2.506 1.00 0.00 C ATOM 0 HA PRO A 70 7.655 4.686 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.830 5.213 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.423 6.230 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.331 6.755 -4.361 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.601 7.893 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.283 6.882 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.516 7.927 -1.974 1.00 0.00 H new ATOM 1095 N LYS A 71 9.600 3.815 -3.391 1.00 0.00 N ATOM 1096 CA LYS A 71 10.128 2.657 -4.094 1.00 0.00 C ATOM 1097 C LYS A 71 11.252 2.033 -3.266 1.00 0.00 C ATOM 1098 O LYS A 71 12.296 1.669 -3.805 1.00 0.00 O ATOM 1099 CB LYS A 71 10.548 3.037 -5.515 1.00 0.00 C ATOM 1100 CG LYS A 71 9.327 3.353 -6.382 1.00 0.00 C ATOM 1101 CD LYS A 71 9.658 4.422 -7.425 1.00 0.00 C ATOM 1102 CE LYS A 71 9.628 5.821 -6.806 1.00 0.00 C ATOM 1103 NZ LYS A 71 10.269 6.801 -7.711 1.00 0.00 N ATOM 0 H LYS A 71 10.041 4.701 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 71 9.356 1.896 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.210 3.903 -5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.114 2.219 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.986 2.446 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.507 3.697 -5.751 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.644 4.229 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.943 4.368 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.597 6.117 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.144 5.812 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.240 7.745 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.258 6.526 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.759 6.822 -8.617 1.00 0.00 H new ATOM 1117 N ASP A 72 11.002 1.926 -1.970 1.00 0.00 N ATOM 1118 CA ASP A 72 11.980 1.352 -1.062 1.00 0.00 C ATOM 1119 C ASP A 72 11.293 0.978 0.253 1.00 0.00 C ATOM 1120 O ASP A 72 11.552 -0.087 0.810 1.00 0.00 O ATOM 1121 CB ASP A 72 13.091 2.354 -0.744 1.00 0.00 C ATOM 1122 CG ASP A 72 14.514 1.806 -0.876 1.00 0.00 C ATOM 1123 OD1 ASP A 72 14.659 0.759 -1.542 1.00 0.00 O ATOM 1124 OD2 ASP A 72 15.424 2.447 -0.307 1.00 0.00 O ATOM 0 H ASP A 72 10.135 2.228 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 72 12.411 0.474 -1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.986 3.213 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.951 2.718 0.274 1.00 0.00 H new ATOM 1130 N VAL A 73 10.430 1.874 0.708 1.00 0.00 N ATOM 1131 CA VAL A 73 9.703 1.651 1.947 1.00 0.00 C ATOM 1132 C VAL A 73 9.533 0.147 2.169 1.00 0.00 C ATOM 1133 O VAL A 73 10.287 -0.462 2.927 1.00 0.00 O ATOM 1134 CB VAL A 73 8.373 2.405 1.916 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.369 1.787 2.892 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.579 3.893 2.209 1.00 0.00 C ATOM 0 H VAL A 73 10.217 2.756 0.241 1.00 0.00 H new ATOM 0 HA VAL A 73 10.264 2.044 2.795 1.00 0.00 H new ATOM 0 HB VAL A 73 7.961 2.316 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.432 2.342 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.188 0.748 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.771 1.830 3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.618 4.406 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.024 4.011 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.242 4.323 1.458 1.00 0.00 H new ATOM 1146 N CYS A 74 8.537 -0.410 1.495 1.00 0.00 N ATOM 1147 CA CYS A 74 8.258 -1.831 1.609 1.00 0.00 C ATOM 1148 C CYS A 74 9.588 -2.570 1.780 1.00 0.00 C ATOM 1149 O CYS A 74 9.769 -3.313 2.742 1.00 0.00 O ATOM 1150 CB CYS A 74 7.467 -2.351 0.406 1.00 0.00 C ATOM 1151 SG CYS A 74 7.672 -1.374 -1.127 1.00 0.00 S ATOM 0 H CYS A 74 7.913 0.098 0.868 1.00 0.00 H new ATOM 0 HA CYS A 74 7.628 -2.011 2.480 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.769 -3.380 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.409 -2.374 0.667 1.00 0.00 H new ATOM 1156 N THR A 75 10.482 -2.338 0.831 1.00 0.00 N ATOM 1157 CA THR A 75 11.789 -2.972 0.864 1.00 0.00 C ATOM 1158 C THR A 75 12.397 -2.867 2.264 1.00 0.00 C ATOM 1159 O THR A 75 12.884 -3.856 2.810 1.00 0.00 O ATOM 1160 CB THR A 75 12.654 -2.331 -0.224 1.00 0.00 C ATOM 1161 OG1 THR A 75 11.746 -2.097 -1.296 1.00 0.00 O ATOM 1162 CG2 THR A 75 13.677 -3.307 -0.809 1.00 0.00 C ATOM 0 H THR A 75 10.327 -1.720 0.034 1.00 0.00 H new ATOM 0 HA THR A 75 11.716 -4.039 0.654 1.00 0.00 H new ATOM 0 HB THR A 75 13.172 -1.465 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.223 -1.681 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.264 -2.802 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.339 -3.658 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.157 -4.157 -1.251 1.00 0.00 H new ATOM 1170 N LYS A 76 12.351 -1.658 2.806 1.00 0.00 N ATOM 1171 CA LYS A 76 12.891 -1.410 4.131 1.00 0.00 C ATOM 1172 C LYS A 76 12.496 -2.559 5.061 1.00 0.00 C ATOM 1173 O LYS A 76 13.358 -3.211 5.650 1.00 0.00 O ATOM 1174 CB LYS A 76 12.458 -0.033 4.638 1.00 0.00 C ATOM 1175 CG LYS A 76 13.624 0.696 5.310 1.00 0.00 C ATOM 1176 CD LYS A 76 13.151 1.459 6.548 1.00 0.00 C ATOM 1177 CE LYS A 76 13.704 0.825 7.827 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.388 1.842 8.656 1.00 0.00 N ATOM 0 H LYS A 76 11.947 -0.840 2.350 1.00 0.00 H new ATOM 0 HA LYS A 76 13.980 -1.384 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.083 0.563 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.637 -0.144 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.393 -0.023 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.080 1.389 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.473 2.498 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.062 1.465 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.892 0.370 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.401 0.026 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.757 1.395 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.175 2.257 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.713 2.590 8.915 1.00 0.00 H new ATOM 1192 N LEU A 77 11.193 -2.774 5.164 1.00 0.00 N ATOM 1193 CA LEU A 77 10.673 -3.833 6.012 1.00 0.00 C ATOM 1194 C LEU A 77 10.591 -5.130 5.207 1.00 0.00 C ATOM 1195 O LEU A 77 9.664 -5.920 5.387 1.00 0.00 O ATOM 1196 CB LEU A 77 9.343 -3.413 6.640 1.00 0.00 C ATOM 1197 CG LEU A 77 9.182 -1.920 6.933 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.704 -1.543 7.070 1.00 0.00 C ATOM 1199 CD2 LEU A 77 9.992 -1.513 8.166 1.00 0.00 C ATOM 0 H LEU A 77 10.481 -2.232 4.674 1.00 0.00 H new ATOM 0 HA LEU A 77 11.348 -4.018 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.536 -3.722 5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.215 -3.962 7.573 1.00 0.00 H new ATOM 0 HG LEU A 77 9.580 -1.362 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.618 -0.476 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.182 -1.775 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.258 -2.109 7.888 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.860 -0.447 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.646 -2.078 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.048 -1.723 7.994 1.00 0.00 H new ATOM 1211 N ASN A 78 11.571 -5.312 4.334 1.00 0.00 N ATOM 1212 CA ASN A 78 11.620 -6.501 3.501 1.00 0.00 C ATOM 1213 C ASN A 78 10.226 -6.785 2.941 1.00 0.00 C ATOM 1214 O ASN A 78 9.908 -7.923 2.600 1.00 0.00 O ATOM 1215 CB ASN A 78 12.062 -7.722 4.309 1.00 0.00 C ATOM 1216 CG ASN A 78 13.534 -7.609 4.713 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.880 -7.052 5.742 1.00 0.00 O ATOM 1218 ND2 ASN A 78 14.376 -8.168 3.850 1.00 0.00 N ATOM 0 H ASN A 78 12.337 -4.656 4.186 1.00 0.00 H new ATOM 0 HA ASN A 78 12.336 -6.320 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.443 -7.816 5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.911 -8.626 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.380 -8.147 4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.019 -8.618 3.007 1.00 0.00 H new ATOM 1225 N GLU A 79 9.429 -5.728 2.862 1.00 0.00 N ATOM 1226 CA GLU A 79 8.074 -5.850 2.348 1.00 0.00 C ATOM 1227 C GLU A 79 8.093 -5.966 0.824 1.00 0.00 C ATOM 1228 O GLU A 79 7.163 -6.506 0.227 1.00 0.00 O ATOM 1229 CB GLU A 79 7.211 -4.669 2.797 1.00 0.00 C ATOM 1230 CG GLU A 79 5.929 -5.154 3.476 1.00 0.00 C ATOM 1231 CD GLU A 79 4.940 -5.708 2.448 1.00 0.00 C ATOM 1232 OE1 GLU A 79 5.063 -5.310 1.270 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.084 -6.520 2.863 1.00 0.00 O ATOM 0 H GLU A 79 9.695 -4.785 3.145 1.00 0.00 H new ATOM 0 HA GLU A 79 7.631 -6.759 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.777 -4.042 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.959 -4.050 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.170 -5.926 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.469 -4.331 4.022 1.00 0.00 H new ATOM 1241 N CYS A 80 9.164 -5.452 0.236 1.00 0.00 N ATOM 1242 CA CYS A 80 9.317 -5.493 -1.209 1.00 0.00 C ATOM 1243 C CYS A 80 10.583 -6.285 -1.536 1.00 0.00 C ATOM 1244 O CYS A 80 11.670 -5.947 -1.070 1.00 0.00 O ATOM 1245 CB CYS A 80 9.351 -4.088 -1.814 1.00 0.00 C ATOM 1246 SG CYS A 80 7.985 -3.719 -2.974 1.00 0.00 S ATOM 0 H CYS A 80 9.934 -5.005 0.734 1.00 0.00 H new ATOM 0 HA CYS A 80 8.455 -5.989 -1.654 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.329 -3.358 -1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.298 -3.955 -2.336 1.00 0.00 H new ATOM 1251 N PRO A 81 10.398 -7.354 -2.358 1.00 0.00 N ATOM 1252 CA PRO A 81 9.077 -7.686 -2.867 1.00 0.00 C ATOM 1253 C PRO A 81 8.216 -8.328 -1.778 1.00 0.00 C ATOM 1254 O PRO A 81 7.065 -8.689 -2.024 1.00 0.00 O ATOM 1255 CB PRO A 81 9.331 -8.609 -4.046 1.00 0.00 C ATOM 1256 CG PRO A 81 10.747 -9.131 -3.870 1.00 0.00 C ATOM 1257 CD PRO A 81 11.434 -8.271 -2.822 1.00 0.00 C ATOM 0 HA PRO A 81 8.513 -6.808 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.612 -9.428 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.227 -8.074 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.733 -10.175 -3.557 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.290 -9.088 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.821 -8.878 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.280 -7.731 -3.246 1.00 0.00 H new