USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 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 Set 1.1: A 28 LYS NZ :NH3+ 144:sc= 0.00734 (180deg=0) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.273 K(o=0.28,f=-1) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 8 MET CE :methyl -143:sc= -0.018 (180deg=-1.88!) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0991) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot 81:sc= -0.0507 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= -0.571 (180deg=-0.609) USER MOD Single : A 25 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.38) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.62 F(o=-3.2!,f=-1.6) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 52 TYR OH : rot 11:sc= -6.37! USER MOD Single : A 55 SER OG : rot -18:sc= -1.17! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -9.3! C(o=-12!,f=-9.3!) USER MOD Single : A 68 THR OG1 : rot 131:sc= -0.288 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 2.591 -8.293 -2.592 1.00 0.00 N ATOM 66 CA SER A 5 2.385 -7.313 -1.539 1.00 0.00 C ATOM 67 C SER A 5 3.313 -6.115 -1.749 1.00 0.00 C ATOM 68 O SER A 5 3.059 -5.030 -1.230 1.00 0.00 O ATOM 69 CB SER A 5 2.621 -7.931 -0.160 1.00 0.00 C ATOM 70 OG SER A 5 1.420 -8.005 0.605 1.00 0.00 O ATOM 0 HA SER A 5 1.350 -6.974 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.038 -8.931 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.359 -7.339 0.381 1.00 0.00 H new ATOM 0 HG SER A 5 1.612 -8.407 1.478 1.00 0.00 H new ATOM 76 N CYS A 6 4.370 -6.354 -2.513 1.00 0.00 N ATOM 77 CA CYS A 6 5.337 -5.307 -2.799 1.00 0.00 C ATOM 78 C CYS A 6 4.608 -4.156 -3.495 1.00 0.00 C ATOM 79 O CYS A 6 4.423 -3.089 -2.909 1.00 0.00 O ATOM 80 CB CYS A 6 6.505 -5.831 -3.637 1.00 0.00 C ATOM 81 SG CYS A 6 7.787 -4.586 -4.028 1.00 0.00 S ATOM 0 H CYS A 6 4.578 -7.256 -2.942 1.00 0.00 H new ATOM 0 HA CYS A 6 5.774 -4.948 -1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.973 -6.659 -3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.112 -6.233 -4.571 1.00 0.00 H new ATOM 86 N GLN A 7 4.212 -4.410 -4.733 1.00 0.00 N ATOM 87 CA GLN A 7 3.508 -3.407 -5.514 1.00 0.00 C ATOM 88 C GLN A 7 2.585 -2.585 -4.613 1.00 0.00 C ATOM 89 O GLN A 7 2.591 -1.356 -4.670 1.00 0.00 O ATOM 90 CB GLN A 7 2.724 -4.054 -6.657 1.00 0.00 C ATOM 91 CG GLN A 7 3.245 -3.582 -8.016 1.00 0.00 C ATOM 92 CD GLN A 7 3.087 -4.677 -9.074 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.191 -5.503 -9.021 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.005 -4.637 -10.036 1.00 0.00 N ATOM 0 H GLN A 7 4.365 -5.296 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 7 4.244 -2.736 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.805 -5.139 -6.590 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.667 -3.807 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.703 -2.689 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.295 -3.303 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.729 -3.918 -10.021 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.985 -5.325 -10.789 1.00 0.00 H new ATOM 103 N MET A 8 1.815 -3.295 -3.802 1.00 0.00 N ATOM 104 CA MET A 8 0.888 -2.647 -2.891 1.00 0.00 C ATOM 105 C MET A 8 1.558 -1.474 -2.170 1.00 0.00 C ATOM 106 O MET A 8 0.980 -0.394 -2.064 1.00 0.00 O ATOM 107 CB MET A 8 0.390 -3.661 -1.860 1.00 0.00 C ATOM 108 CG MET A 8 -0.165 -4.911 -2.546 1.00 0.00 C ATOM 109 SD MET A 8 -1.327 -5.734 -1.470 1.00 0.00 S ATOM 110 CE MET A 8 -1.894 -7.030 -2.557 1.00 0.00 C ATOM 0 H MET A 8 1.814 -4.314 -3.757 1.00 0.00 H new ATOM 0 HA MET A 8 0.048 -2.263 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.207 -3.939 -1.194 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.384 -3.207 -1.242 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.654 -4.636 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.650 -5.588 -2.800 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.957 -7.203 -2.393 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.731 -6.733 -3.593 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.341 -7.946 -2.350 1.00 0.00 H new ATOM 120 N CYS A 9 2.769 -1.728 -1.695 1.00 0.00 N ATOM 121 CA CYS A 9 3.524 -0.708 -0.988 1.00 0.00 C ATOM 122 C CYS A 9 3.643 0.518 -1.895 1.00 0.00 C ATOM 123 O CYS A 9 3.606 1.652 -1.421 1.00 0.00 O ATOM 124 CB CYS A 9 4.894 -1.223 -0.544 1.00 0.00 C ATOM 125 SG CYS A 9 6.242 -0.963 -1.754 1.00 0.00 S ATOM 0 H CYS A 9 3.246 -2.625 -1.786 1.00 0.00 H new ATOM 0 HA CYS A 9 2.998 -0.433 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.165 -0.733 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.815 -2.290 -0.334 1.00 0.00 H new ATOM 130 N GLU A 10 3.781 0.248 -3.185 1.00 0.00 N ATOM 131 CA GLU A 10 3.905 1.315 -4.164 1.00 0.00 C ATOM 132 C GLU A 10 2.542 1.962 -4.419 1.00 0.00 C ATOM 133 O GLU A 10 2.449 2.960 -5.132 1.00 0.00 O ATOM 134 CB GLU A 10 4.518 0.796 -5.466 1.00 0.00 C ATOM 135 CG GLU A 10 5.922 1.368 -5.677 1.00 0.00 C ATOM 136 CD GLU A 10 6.991 0.300 -5.441 1.00 0.00 C ATOM 137 OE1 GLU A 10 7.111 -0.135 -4.275 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.663 -0.059 -6.432 1.00 0.00 O ATOM 0 H GLU A 10 3.810 -0.694 -3.575 1.00 0.00 H new ATOM 0 HA GLU A 10 4.576 2.074 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.565 -0.293 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.880 1.069 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.011 1.758 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.083 2.205 -4.998 1.00 0.00 H new ATOM 146 N LEU A 11 1.519 1.367 -3.823 1.00 0.00 N ATOM 147 CA LEU A 11 0.166 1.873 -3.978 1.00 0.00 C ATOM 148 C LEU A 11 -0.157 2.816 -2.817 1.00 0.00 C ATOM 149 O LEU A 11 -0.627 3.933 -3.032 1.00 0.00 O ATOM 150 CB LEU A 11 -0.826 0.717 -4.123 1.00 0.00 C ATOM 151 CG LEU A 11 -2.300 1.107 -4.241 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.533 2.009 -5.455 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.196 -0.133 -4.267 1.00 0.00 C ATOM 0 H LEU A 11 1.600 0.540 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 11 0.080 2.454 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.552 0.139 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.713 0.058 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.573 1.682 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.589 2.272 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.939 2.917 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.238 1.482 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.239 0.173 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.930 -0.756 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.058 -0.701 -3.347 1.00 0.00 H new ATOM 165 N VAL A 12 0.108 2.333 -1.612 1.00 0.00 N ATOM 166 CA VAL A 12 -0.147 3.119 -0.417 1.00 0.00 C ATOM 167 C VAL A 12 0.713 4.384 -0.450 1.00 0.00 C ATOM 168 O VAL A 12 0.276 5.449 -0.016 1.00 0.00 O ATOM 169 CB VAL A 12 0.089 2.268 0.831 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.713 0.966 0.766 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.580 1.984 1.026 1.00 0.00 C ATOM 0 H VAL A 12 0.497 1.406 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.190 3.436 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.260 2.834 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.527 0.379 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.776 1.197 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.408 0.394 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.721 1.377 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.965 1.447 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.118 2.925 1.138 1.00 0.00 H new ATOM 181 N VAL A 13 1.922 4.225 -0.969 1.00 0.00 N ATOM 182 CA VAL A 13 2.848 5.341 -1.064 1.00 0.00 C ATOM 183 C VAL A 13 2.322 6.349 -2.087 1.00 0.00 C ATOM 184 O VAL A 13 2.120 7.519 -1.764 1.00 0.00 O ATOM 185 CB VAL A 13 4.251 4.829 -1.396 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.687 3.742 -0.410 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.323 4.322 -2.838 1.00 0.00 C ATOM 0 H VAL A 13 2.282 3.341 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 13 2.923 5.858 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 13 4.943 5.665 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.688 3.396 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.694 4.150 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.990 2.906 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.331 3.964 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.613 3.506 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.077 5.134 -3.522 1.00 0.00 H new ATOM 197 N LYS A 14 2.115 5.859 -3.301 1.00 0.00 N ATOM 198 CA LYS A 14 1.616 6.703 -4.374 1.00 0.00 C ATOM 199 C LYS A 14 0.351 7.423 -3.903 1.00 0.00 C ATOM 200 O LYS A 14 0.100 8.563 -4.292 1.00 0.00 O ATOM 201 CB LYS A 14 1.419 5.885 -5.651 1.00 0.00 C ATOM 202 CG LYS A 14 2.538 6.161 -6.657 1.00 0.00 C ATOM 203 CD LYS A 14 3.540 5.004 -6.693 1.00 0.00 C ATOM 204 CE LYS A 14 3.011 3.848 -7.545 1.00 0.00 C ATOM 205 NZ LYS A 14 3.123 4.171 -8.985 1.00 0.00 N ATOM 0 H LYS A 14 2.284 4.888 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 14 2.346 7.472 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.398 4.823 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.455 6.128 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.112 6.309 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.052 7.084 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.490 5.353 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.734 4.654 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.573 2.940 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.970 3.648 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.988 3.306 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.395 4.868 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.065 4.567 -9.180 1.00 0.00 H new ATOM 219 N LYS A 15 -0.413 6.729 -3.073 1.00 0.00 N ATOM 220 CA LYS A 15 -1.647 7.288 -2.546 1.00 0.00 C ATOM 221 C LYS A 15 -1.315 8.282 -1.432 1.00 0.00 C ATOM 222 O LYS A 15 -1.957 9.325 -1.314 1.00 0.00 O ATOM 223 CB LYS A 15 -2.598 6.172 -2.110 1.00 0.00 C ATOM 224 CG LYS A 15 -3.175 5.440 -3.323 1.00 0.00 C ATOM 225 CD LYS A 15 -3.858 6.418 -4.281 1.00 0.00 C ATOM 226 CE LYS A 15 -4.770 5.678 -5.262 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.254 6.600 -6.315 1.00 0.00 N ATOM 0 H LYS A 15 -0.202 5.784 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.177 7.841 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.067 5.465 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.409 6.592 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.378 4.911 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.893 4.689 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.441 7.142 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.104 6.979 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.228 4.849 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.618 5.250 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.872 6.082 -6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.789 7.377 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.442 6.989 -6.836 1.00 0.00 H new ATOM 241 N TYR A 16 -0.313 7.926 -0.643 1.00 0.00 N ATOM 242 CA TYR A 16 0.113 8.773 0.459 1.00 0.00 C ATOM 243 C TYR A 16 1.032 9.892 -0.034 1.00 0.00 C ATOM 244 O TYR A 16 0.624 11.050 -0.107 1.00 0.00 O ATOM 245 CB TYR A 16 0.895 7.868 1.411 1.00 0.00 C ATOM 246 CG TYR A 16 1.691 8.624 2.476 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.383 9.939 2.763 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.716 7.993 3.151 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.133 10.651 3.765 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.465 8.705 4.154 1.00 0.00 C ATOM 251 CZ TYR A 16 3.136 10.000 4.412 1.00 0.00 C ATOM 252 OH TYR A 16 3.843 10.672 5.358 1.00 0.00 O ATOM 0 H TYR A 16 0.218 7.061 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.748 9.238 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.199 7.190 1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.580 7.252 0.829 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.580 10.433 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.957 6.964 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.904 11.680 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.269 8.222 4.689 1.00 0.00 H new ATOM 0 HH TYR A 16 3.269 11.346 5.778 1.00 0.00 H new ATOM 262 N GLU A 17 2.257 9.506 -0.362 1.00 0.00 N ATOM 263 CA GLU A 17 3.239 10.462 -0.846 1.00 0.00 C ATOM 264 C GLU A 17 2.566 11.510 -1.735 1.00 0.00 C ATOM 265 O GLU A 17 2.899 12.691 -1.670 1.00 0.00 O ATOM 266 CB GLU A 17 4.371 9.755 -1.592 1.00 0.00 C ATOM 267 CG GLU A 17 5.302 9.030 -0.618 1.00 0.00 C ATOM 268 CD GLU A 17 6.325 9.996 -0.016 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.880 11.032 0.521 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.529 9.674 -0.108 1.00 0.00 O ATOM 0 H GLU A 17 2.592 8.544 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 17 3.677 10.970 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.953 9.040 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.940 10.483 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.716 8.572 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.820 8.223 -1.137 1.00 0.00 H new ATOM 278 N GLY A 18 1.630 11.037 -2.545 1.00 0.00 N ATOM 279 CA GLY A 18 0.907 11.919 -3.447 1.00 0.00 C ATOM 280 C GLY A 18 -0.576 11.984 -3.077 1.00 0.00 C ATOM 281 O GLY A 18 -1.440 11.738 -3.916 1.00 0.00 O ATOM 0 H GLY A 18 1.356 10.056 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.339 12.919 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.015 11.565 -4.472 1.00 0.00 H new ATOM 285 N SER A 19 -0.825 12.320 -1.820 1.00 0.00 N ATOM 286 CA SER A 19 -2.188 12.422 -1.329 1.00 0.00 C ATOM 287 C SER A 19 -2.549 13.889 -1.086 1.00 0.00 C ATOM 288 O SER A 19 -3.683 14.300 -1.324 1.00 0.00 O ATOM 289 CB SER A 19 -2.374 11.610 -0.044 1.00 0.00 C ATOM 290 OG SER A 19 -3.576 10.846 -0.064 1.00 0.00 O ATOM 0 H SER A 19 -0.105 12.525 -1.127 1.00 0.00 H new ATOM 0 HA SER A 19 -2.855 12.011 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.523 10.943 0.089 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.387 12.284 0.812 1.00 0.00 H new ATOM 0 HG SER A 19 -3.432 10.024 -0.577 1.00 0.00 H new ATOM 296 N ALA A 20 -1.563 14.637 -0.615 1.00 0.00 N ATOM 297 CA ALA A 20 -1.762 16.050 -0.337 1.00 0.00 C ATOM 298 C ALA A 20 -2.730 16.202 0.838 1.00 0.00 C ATOM 299 O ALA A 20 -3.186 17.306 1.131 1.00 0.00 O ATOM 300 CB ALA A 20 -2.262 16.753 -1.601 1.00 0.00 C ATOM 0 H ALA A 20 -0.623 14.292 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.822 16.522 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.411 17.813 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.525 16.640 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.206 16.308 -1.915 1.00 0.00 H new ATOM 306 N ASP A 21 -3.015 15.079 1.478 1.00 0.00 N ATOM 307 CA ASP A 21 -3.921 15.073 2.615 1.00 0.00 C ATOM 308 C ASP A 21 -3.198 14.501 3.836 1.00 0.00 C ATOM 309 O ASP A 21 -3.675 14.631 4.961 1.00 0.00 O ATOM 310 CB ASP A 21 -5.146 14.200 2.338 1.00 0.00 C ATOM 311 CG ASP A 21 -6.460 14.727 2.916 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.689 14.486 4.121 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.208 15.361 2.140 1.00 0.00 O ATOM 0 H ASP A 21 -2.635 14.165 1.231 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.243 16.099 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.259 14.091 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.962 13.204 2.742 1.00 0.00 H new ATOM 319 N LYS A 22 -2.058 13.879 3.571 1.00 0.00 N ATOM 320 CA LYS A 22 -1.264 13.287 4.634 1.00 0.00 C ATOM 321 C LYS A 22 -2.194 12.604 5.639 1.00 0.00 C ATOM 322 O LYS A 22 -2.119 12.867 6.838 1.00 0.00 O ATOM 323 CB LYS A 22 -0.343 14.335 5.262 1.00 0.00 C ATOM 324 CG LYS A 22 1.002 14.390 4.535 1.00 0.00 C ATOM 325 CD LYS A 22 0.805 14.415 3.019 1.00 0.00 C ATOM 326 CE LYS A 22 0.093 15.695 2.580 1.00 0.00 C ATOM 327 NZ LYS A 22 0.953 16.479 1.665 1.00 0.00 N ATOM 0 H LYS A 22 -1.666 13.772 2.636 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.605 12.516 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.821 15.314 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.182 14.099 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.553 15.277 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.605 13.526 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.772 14.344 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.223 13.547 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.844 15.445 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.160 16.295 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.506 17.398 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.882 16.632 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.076 15.958 0.773 1.00 0.00 H new ATOM 341 N ASP A 23 -3.050 11.740 5.112 1.00 0.00 N ATOM 342 CA ASP A 23 -3.993 11.017 5.948 1.00 0.00 C ATOM 343 C ASP A 23 -3.948 9.530 5.592 1.00 0.00 C ATOM 344 O ASP A 23 -4.415 9.129 4.527 1.00 0.00 O ATOM 345 CB ASP A 23 -5.422 11.514 5.722 1.00 0.00 C ATOM 346 CG ASP A 23 -6.472 10.913 6.659 1.00 0.00 C ATOM 347 OD1 ASP A 23 -6.181 9.835 7.220 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.542 11.545 6.792 1.00 0.00 O ATOM 0 H ASP A 23 -3.110 11.525 4.117 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.715 11.180 6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.435 12.598 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.708 11.296 4.693 1.00 0.00 H new ATOM 354 N ALA A 24 -3.380 8.754 6.503 1.00 0.00 N ATOM 355 CA ALA A 24 -3.268 7.319 6.299 1.00 0.00 C ATOM 356 C ALA A 24 -4.665 6.725 6.107 1.00 0.00 C ATOM 357 O ALA A 24 -4.804 5.589 5.656 1.00 0.00 O ATOM 358 CB ALA A 24 -2.524 6.692 7.479 1.00 0.00 C ATOM 0 H ALA A 24 -2.992 9.091 7.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.692 7.103 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.440 5.616 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.527 7.127 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.074 6.886 8.400 1.00 0.00 H new ATOM 364 N ASN A 25 -5.665 7.520 6.460 1.00 0.00 N ATOM 365 CA ASN A 25 -7.046 7.086 6.334 1.00 0.00 C ATOM 366 C ASN A 25 -7.488 7.226 4.875 1.00 0.00 C ATOM 367 O ASN A 25 -7.841 6.238 4.232 1.00 0.00 O ATOM 368 CB ASN A 25 -7.975 7.946 7.193 1.00 0.00 C ATOM 369 CG ASN A 25 -9.269 7.198 7.518 1.00 0.00 C ATOM 370 OD1 ASN A 25 -10.204 7.154 6.737 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.271 6.615 8.714 1.00 0.00 N ATOM 0 H ASN A 25 -5.546 8.462 6.833 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.105 6.049 6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.469 8.223 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.208 8.872 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.090 6.092 9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.454 6.691 9.320 1.00 0.00 H new ATOM 378 N VAL A 26 -7.453 8.460 4.396 1.00 0.00 N ATOM 379 CA VAL A 26 -7.846 8.742 3.024 1.00 0.00 C ATOM 380 C VAL A 26 -6.817 8.133 2.069 1.00 0.00 C ATOM 381 O VAL A 26 -7.048 8.068 0.862 1.00 0.00 O ATOM 382 CB VAL A 26 -8.024 10.248 2.831 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.990 10.543 1.681 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.493 10.917 4.125 1.00 0.00 C ATOM 0 H VAL A 26 -7.159 9.276 4.932 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.809 8.284 2.799 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.053 10.668 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.099 11.621 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.598 10.116 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.962 10.102 1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.611 11.988 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.448 10.489 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.754 10.751 4.909 1.00 0.00 H new ATOM 394 N ILE A 27 -5.704 7.704 2.644 1.00 0.00 N ATOM 395 CA ILE A 27 -4.639 7.103 1.859 1.00 0.00 C ATOM 396 C ILE A 27 -4.861 5.591 1.779 1.00 0.00 C ATOM 397 O ILE A 27 -5.062 5.046 0.695 1.00 0.00 O ATOM 398 CB ILE A 27 -3.272 7.494 2.421 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.997 8.985 2.205 1.00 0.00 C ATOM 400 CG2 ILE A 27 -2.165 6.616 1.834 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.805 9.449 3.045 1.00 0.00 C ATOM 0 H ILE A 27 -5.516 7.761 3.645 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.658 7.483 0.838 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.283 7.320 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.798 9.173 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.881 9.564 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.203 6.916 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.358 5.572 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.143 6.734 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.631 10.511 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.017 9.282 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.917 8.885 2.760 1.00 0.00 H new ATOM 413 N LYS A 28 -4.817 4.957 2.941 1.00 0.00 N ATOM 414 CA LYS A 28 -5.011 3.518 3.016 1.00 0.00 C ATOM 415 C LYS A 28 -6.258 3.133 2.217 1.00 0.00 C ATOM 416 O LYS A 28 -6.324 2.044 1.649 1.00 0.00 O ATOM 417 CB LYS A 28 -5.049 3.059 4.475 1.00 0.00 C ATOM 418 CG LYS A 28 -6.422 3.323 5.098 1.00 0.00 C ATOM 419 CD LYS A 28 -7.054 2.023 5.601 1.00 0.00 C ATOM 420 CE LYS A 28 -6.584 1.699 7.020 1.00 0.00 C ATOM 421 NZ LYS A 28 -7.522 2.257 8.018 1.00 0.00 N ATOM 0 H LYS A 28 -4.650 5.412 3.838 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.169 2.995 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.819 1.995 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.281 3.582 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.321 4.026 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.076 3.789 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.140 2.113 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.792 1.204 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.510 0.619 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.587 2.108 7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.597 1.607 8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.171 3.179 8.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.459 2.378 7.584 1.00 0.00 H new ATOM 435 N LYS A 29 -7.216 4.048 2.200 1.00 0.00 N ATOM 436 CA LYS A 29 -8.457 3.818 1.481 1.00 0.00 C ATOM 437 C LYS A 29 -8.197 3.920 -0.023 1.00 0.00 C ATOM 438 O LYS A 29 -8.574 3.030 -0.784 1.00 0.00 O ATOM 439 CB LYS A 29 -9.550 4.765 1.981 1.00 0.00 C ATOM 440 CG LYS A 29 -10.241 4.199 3.223 1.00 0.00 C ATOM 441 CD LYS A 29 -10.753 5.323 4.126 1.00 0.00 C ATOM 442 CE LYS A 29 -11.514 6.374 3.316 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.802 5.825 2.836 1.00 0.00 N ATOM 0 H LYS A 29 -7.158 4.950 2.673 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.827 2.811 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.115 5.737 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.286 4.925 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.073 3.562 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.543 3.572 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.406 4.908 4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.914 5.792 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.694 7.256 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.910 6.695 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.306 6.551 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.623 4.997 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.383 5.540 3.650 1.00 0.00 H new ATOM 457 N ASP A 30 -7.553 5.012 -0.407 1.00 0.00 N ATOM 458 CA ASP A 30 -7.236 5.242 -1.806 1.00 0.00 C ATOM 459 C ASP A 30 -6.617 3.976 -2.399 1.00 0.00 C ATOM 460 O ASP A 30 -7.048 3.502 -3.450 1.00 0.00 O ATOM 461 CB ASP A 30 -6.227 6.381 -1.964 1.00 0.00 C ATOM 462 CG ASP A 30 -6.672 7.517 -2.887 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.446 7.218 -3.823 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.229 8.658 -2.637 1.00 0.00 O ATOM 0 H ASP A 30 -7.242 5.748 0.227 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.160 5.506 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.014 6.796 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.293 5.968 -2.345 1.00 0.00 H new ATOM 470 N PHE A 31 -5.615 3.462 -1.700 1.00 0.00 N ATOM 471 CA PHE A 31 -4.931 2.260 -2.144 1.00 0.00 C ATOM 472 C PHE A 31 -5.933 1.170 -2.531 1.00 0.00 C ATOM 473 O PHE A 31 -5.878 0.634 -3.637 1.00 0.00 O ATOM 474 CB PHE A 31 -4.086 1.766 -0.969 1.00 0.00 C ATOM 475 CG PHE A 31 -3.596 0.324 -1.117 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.442 -0.711 -0.862 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.316 0.077 -1.503 1.00 0.00 C ATOM 478 CE1 PHE A 31 -3.988 -2.050 -1.000 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.862 -1.263 -1.640 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.708 -2.297 -1.386 1.00 0.00 C ATOM 0 H PHE A 31 -5.261 3.857 -0.829 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.320 2.481 -3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.223 2.422 -0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.672 1.847 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.459 -0.514 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.645 0.898 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.659 -2.872 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.845 -1.460 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.363 -3.315 -1.491 1.00 0.00 H new ATOM 490 N ASP A 32 -6.826 0.875 -1.598 1.00 0.00 N ATOM 491 CA ASP A 32 -7.839 -0.141 -1.826 1.00 0.00 C ATOM 492 C ASP A 32 -8.677 0.246 -3.047 1.00 0.00 C ATOM 493 O ASP A 32 -9.345 -0.600 -3.640 1.00 0.00 O ATOM 494 CB ASP A 32 -8.780 -0.261 -0.625 1.00 0.00 C ATOM 495 CG ASP A 32 -9.297 -1.674 -0.348 1.00 0.00 C ATOM 496 OD1 ASP A 32 -8.451 -2.593 -0.323 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.528 -1.802 -0.167 1.00 0.00 O ATOM 0 H ASP A 32 -6.869 1.322 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.332 -1.093 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.260 0.100 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.634 0.398 -0.784 1.00 0.00 H new ATOM 503 N ALA A 33 -8.616 1.525 -3.385 1.00 0.00 N ATOM 504 CA ALA A 33 -9.361 2.035 -4.524 1.00 0.00 C ATOM 505 C ALA A 33 -8.658 1.616 -5.816 1.00 0.00 C ATOM 506 O ALA A 33 -9.172 0.788 -6.567 1.00 0.00 O ATOM 507 CB ALA A 33 -9.502 3.554 -4.403 1.00 0.00 C ATOM 0 H ALA A 33 -8.062 2.224 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.367 1.615 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.061 3.937 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.033 3.798 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.513 4.011 -4.383 1.00 0.00 H new ATOM 513 N GLU A 34 -7.493 2.206 -6.037 1.00 0.00 N ATOM 514 CA GLU A 34 -6.714 1.905 -7.226 1.00 0.00 C ATOM 515 C GLU A 34 -6.462 0.398 -7.327 1.00 0.00 C ATOM 516 O GLU A 34 -6.291 -0.133 -8.423 1.00 0.00 O ATOM 517 CB GLU A 34 -5.396 2.683 -7.230 1.00 0.00 C ATOM 518 CG GLU A 34 -4.601 2.406 -8.508 1.00 0.00 C ATOM 519 CD GLU A 34 -5.525 2.329 -9.725 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.417 3.201 -9.815 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.319 1.403 -10.537 1.00 0.00 O ATOM 0 H GLU A 34 -7.069 2.892 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.285 2.218 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.599 3.751 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.802 2.404 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.862 3.193 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.053 1.470 -8.404 1.00 0.00 H new ATOM 529 N CYS A 35 -6.447 -0.246 -6.170 1.00 0.00 N ATOM 530 CA CYS A 35 -6.219 -1.680 -6.115 1.00 0.00 C ATOM 531 C CYS A 35 -7.425 -2.382 -6.740 1.00 0.00 C ATOM 532 O CYS A 35 -7.267 -3.269 -7.577 1.00 0.00 O ATOM 533 CB CYS A 35 -5.959 -2.156 -4.685 1.00 0.00 C ATOM 534 SG CYS A 35 -6.558 -3.846 -4.318 1.00 0.00 S ATOM 0 H CYS A 35 -6.589 0.199 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.321 -1.931 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.887 -2.116 -4.493 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.433 -1.459 -3.993 1.00 0.00 H new ATOM 539 N LYS A 36 -8.605 -1.959 -6.310 1.00 0.00 N ATOM 540 CA LYS A 36 -9.839 -2.537 -6.817 1.00 0.00 C ATOM 541 C LYS A 36 -10.013 -2.147 -8.286 1.00 0.00 C ATOM 542 O LYS A 36 -10.942 -2.606 -8.947 1.00 0.00 O ATOM 543 CB LYS A 36 -11.021 -2.139 -5.930 1.00 0.00 C ATOM 544 CG LYS A 36 -11.239 -3.164 -4.815 1.00 0.00 C ATOM 545 CD LYS A 36 -12.683 -3.668 -4.809 1.00 0.00 C ATOM 546 CE LYS A 36 -12.827 -4.933 -5.658 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.236 -5.126 -6.068 1.00 0.00 N ATOM 0 H LYS A 36 -8.733 -1.223 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.794 -3.625 -6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.839 -1.156 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.924 -2.058 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.557 -4.004 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.003 -2.714 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.995 -3.875 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.344 -2.891 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.192 -4.859 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.485 -5.799 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.315 -5.989 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.834 -5.218 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.550 -4.307 -6.627 1.00 0.00 H new ATOM 561 N LYS A 37 -9.104 -1.303 -8.753 1.00 0.00 N ATOM 562 CA LYS A 37 -9.146 -0.846 -10.132 1.00 0.00 C ATOM 563 C LYS A 37 -8.008 -1.502 -10.916 1.00 0.00 C ATOM 564 O LYS A 37 -8.124 -1.715 -12.122 1.00 0.00 O ATOM 565 CB LYS A 37 -9.133 0.683 -10.190 1.00 0.00 C ATOM 566 CG LYS A 37 -10.548 1.249 -10.064 1.00 0.00 C ATOM 567 CD LYS A 37 -11.006 1.263 -8.604 1.00 0.00 C ATOM 568 CE LYS A 37 -12.509 1.530 -8.504 1.00 0.00 C ATOM 569 NZ LYS A 37 -12.812 2.931 -8.874 1.00 0.00 N ATOM 0 H LYS A 37 -8.334 -0.924 -8.201 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.078 -1.151 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.508 1.075 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.689 1.011 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.576 2.261 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.237 0.650 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.771 0.307 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.459 2.030 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.050 0.849 -9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.853 1.333 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.836 3.096 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.311 3.576 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.502 3.107 -9.851 1.00 0.00 H new ATOM 583 N LEU A 38 -6.936 -1.804 -10.200 1.00 0.00 N ATOM 584 CA LEU A 38 -5.778 -2.431 -10.814 1.00 0.00 C ATOM 585 C LEU A 38 -5.721 -3.903 -10.401 1.00 0.00 C ATOM 586 O LEU A 38 -5.822 -4.792 -11.244 1.00 0.00 O ATOM 587 CB LEU A 38 -4.505 -1.649 -10.481 1.00 0.00 C ATOM 588 CG LEU A 38 -3.335 -2.472 -9.938 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.048 -2.170 -10.709 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.166 -2.257 -8.433 1.00 0.00 C ATOM 0 H LEU A 38 -6.844 -1.626 -9.200 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.864 -2.407 -11.900 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.173 -1.133 -11.382 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.755 -0.882 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.560 -3.528 -10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.232 -2.768 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.189 -2.415 -11.762 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.806 -1.112 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.328 -2.853 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.973 -1.203 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.077 -2.562 -7.917 1.00 0.00 H new ATOM 602 N PHE A 39 -5.560 -4.114 -9.103 1.00 0.00 N ATOM 603 CA PHE A 39 -5.489 -5.463 -8.568 1.00 0.00 C ATOM 604 C PHE A 39 -6.822 -6.192 -8.739 1.00 0.00 C ATOM 605 O PHE A 39 -6.918 -7.389 -8.475 1.00 0.00 O ATOM 606 CB PHE A 39 -5.178 -5.337 -7.075 1.00 0.00 C ATOM 607 CG PHE A 39 -3.688 -5.195 -6.759 1.00 0.00 C ATOM 608 CD1 PHE A 39 -2.778 -5.962 -7.417 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.273 -4.303 -5.820 1.00 0.00 C ATOM 610 CE1 PHE A 39 -1.395 -5.832 -7.124 1.00 0.00 C ATOM 611 CE2 PHE A 39 -1.890 -4.173 -5.527 1.00 0.00 C ATOM 612 CZ PHE A 39 -0.980 -4.939 -6.185 1.00 0.00 C ATOM 0 H PHE A 39 -5.477 -3.374 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.724 -6.032 -9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.707 -4.472 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.566 -6.215 -6.558 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.108 -6.670 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.995 -3.694 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.673 -6.442 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.561 -3.465 -4.781 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.072 -4.839 -5.963 1.00 0.00 H new ATOM 622 N HIS A 40 -7.819 -5.439 -9.179 1.00 0.00 N ATOM 623 CA HIS A 40 -9.144 -5.999 -9.389 1.00 0.00 C ATOM 624 C HIS A 40 -9.023 -7.366 -10.066 1.00 0.00 C ATOM 625 O HIS A 40 -9.466 -8.374 -9.518 1.00 0.00 O ATOM 626 CB HIS A 40 -10.028 -5.026 -10.173 1.00 0.00 C ATOM 627 CG HIS A 40 -10.556 -5.586 -11.473 1.00 0.00 C ATOM 628 ND1 HIS A 40 -9.978 -5.678 -12.704 1.00 0.00 N flip ATOM 629 CD2 HIS A 40 -11.822 -6.133 -11.592 1.00 0.00 C flip ATOM 630 CE1 HIS A 40 -10.843 -6.251 -13.532 1.00 0.00 C flip ATOM 631 NE2 HIS A 40 -11.988 -6.533 -12.844 1.00 0.00 N flip ATOM 0 H HIS A 40 -7.736 -4.446 -9.396 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.634 -6.150 -8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.871 -4.732 -9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.457 -4.122 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.550 -6.219 -10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.670 -6.460 -14.577 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.824 -6.974 -13.227 1.00 0.00 H new ATOM 640 N THR A 41 -8.420 -7.355 -11.246 1.00 0.00 N ATOM 641 CA THR A 41 -8.235 -8.581 -12.003 1.00 0.00 C ATOM 642 C THR A 41 -7.791 -9.716 -11.078 1.00 0.00 C ATOM 643 O THR A 41 -8.041 -10.887 -11.361 1.00 0.00 O ATOM 644 CB THR A 41 -7.244 -8.294 -13.133 1.00 0.00 C ATOM 645 OG1 THR A 41 -6.835 -9.587 -13.572 1.00 0.00 O ATOM 646 CG2 THR A 41 -5.953 -7.647 -12.628 1.00 0.00 C ATOM 0 H THR A 41 -8.053 -6.516 -11.696 1.00 0.00 H new ATOM 0 HA THR A 41 -9.171 -8.916 -12.450 1.00 0.00 H new ATOM 0 HB THR A 41 -7.713 -7.643 -13.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.192 -9.495 -14.306 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.284 -7.464 -13.469 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.187 -6.702 -12.139 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.466 -8.313 -11.916 1.00 0.00 H new ATOM 654 N ILE A 42 -7.138 -9.330 -9.992 1.00 0.00 N ATOM 655 CA ILE A 42 -6.656 -10.301 -9.024 1.00 0.00 C ATOM 656 C ILE A 42 -7.790 -10.663 -8.063 1.00 0.00 C ATOM 657 O ILE A 42 -8.583 -9.804 -7.680 1.00 0.00 O ATOM 658 CB ILE A 42 -5.400 -9.781 -8.323 1.00 0.00 C ATOM 659 CG1 ILE A 42 -4.489 -9.041 -9.306 1.00 0.00 C ATOM 660 CG2 ILE A 42 -4.665 -10.912 -7.601 1.00 0.00 C ATOM 661 CD1 ILE A 42 -3.743 -10.027 -10.209 1.00 0.00 C ATOM 0 H ILE A 42 -6.931 -8.358 -9.761 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.356 -11.221 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.707 -9.061 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.083 -8.361 -9.916 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.772 -8.432 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.776 -10.514 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.323 -11.355 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.371 -11.674 -8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.103 -9.476 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.132 -10.690 -9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.463 -10.617 -10.776 1.00 0.00 H new ATOM 673 N PRO A 43 -7.834 -11.971 -7.691 1.00 0.00 N ATOM 674 CA PRO A 43 -8.857 -12.458 -6.783 1.00 0.00 C ATOM 675 C PRO A 43 -8.567 -12.023 -5.345 1.00 0.00 C ATOM 676 O PRO A 43 -9.163 -11.069 -4.849 1.00 0.00 O ATOM 677 CB PRO A 43 -8.855 -13.967 -6.959 1.00 0.00 C ATOM 678 CG PRO A 43 -7.523 -14.309 -7.608 1.00 0.00 C ATOM 679 CD PRO A 43 -6.911 -13.017 -8.125 1.00 0.00 C ATOM 0 HA PRO A 43 -9.843 -12.047 -7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.963 -14.472 -5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.688 -14.288 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.858 -14.785 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.667 -15.017 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.913 -12.860 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.811 -13.032 -9.210 1.00 0.00 H new ATOM 687 N PHE A 44 -7.649 -12.744 -4.718 1.00 0.00 N ATOM 688 CA PHE A 44 -7.271 -12.444 -3.347 1.00 0.00 C ATOM 689 C PHE A 44 -6.638 -11.056 -3.243 1.00 0.00 C ATOM 690 O PHE A 44 -6.507 -10.510 -2.149 1.00 0.00 O ATOM 691 CB PHE A 44 -6.241 -13.495 -2.926 1.00 0.00 C ATOM 692 CG PHE A 44 -4.941 -13.448 -3.733 1.00 0.00 C ATOM 693 CD1 PHE A 44 -4.041 -12.452 -3.515 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.686 -14.402 -4.668 1.00 0.00 C ATOM 695 CE1 PHE A 44 -2.836 -12.409 -4.262 1.00 0.00 C ATOM 696 CE2 PHE A 44 -3.481 -14.359 -5.416 1.00 0.00 C ATOM 697 CZ PHE A 44 -2.581 -13.363 -5.197 1.00 0.00 C ATOM 0 H PHE A 44 -7.156 -13.534 -5.134 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.153 -12.460 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.007 -13.358 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.685 -14.485 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.244 -11.694 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.401 -15.193 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.121 -11.619 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.279 -15.117 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.664 -13.330 -5.766 1.00 0.00 H new ATOM 707 N GLY A 45 -6.263 -10.524 -4.397 1.00 0.00 N ATOM 708 CA GLY A 45 -5.646 -9.210 -4.450 1.00 0.00 C ATOM 709 C GLY A 45 -6.421 -8.206 -3.594 1.00 0.00 C ATOM 710 O GLY A 45 -5.841 -7.528 -2.748 1.00 0.00 O ATOM 0 H GLY A 45 -6.375 -10.979 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.616 -9.274 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.611 -8.862 -5.482 1.00 0.00 H new ATOM 714 N THR A 46 -7.721 -8.141 -3.846 1.00 0.00 N ATOM 715 CA THR A 46 -8.581 -7.231 -3.109 1.00 0.00 C ATOM 716 C THR A 46 -8.585 -7.588 -1.621 1.00 0.00 C ATOM 717 O THR A 46 -8.564 -6.704 -0.767 1.00 0.00 O ATOM 718 CB THR A 46 -9.970 -7.274 -3.747 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.325 -8.655 -3.717 1.00 0.00 O ATOM 720 CG2 THR A 46 -9.941 -6.931 -5.239 1.00 0.00 C ATOM 0 H THR A 46 -8.199 -8.704 -4.550 1.00 0.00 H new ATOM 0 HA THR A 46 -8.213 -6.207 -3.164 1.00 0.00 H new ATOM 0 HB THR A 46 -10.629 -6.579 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.214 -8.773 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.953 -6.976 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.541 -5.926 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.308 -7.646 -5.765 1.00 0.00 H new ATOM 728 N ARG A 47 -8.613 -8.886 -1.356 1.00 0.00 N ATOM 729 CA ARG A 47 -8.621 -9.371 0.013 1.00 0.00 C ATOM 730 C ARG A 47 -7.334 -8.957 0.730 1.00 0.00 C ATOM 731 O ARG A 47 -7.372 -8.516 1.877 1.00 0.00 O ATOM 732 CB ARG A 47 -8.754 -10.894 0.058 1.00 0.00 C ATOM 733 CG ARG A 47 -10.158 -11.334 -0.361 1.00 0.00 C ATOM 734 CD ARG A 47 -10.098 -12.557 -1.279 1.00 0.00 C ATOM 735 NE ARG A 47 -11.225 -13.469 -0.982 1.00 0.00 N ATOM 736 CZ ARG A 47 -11.303 -14.735 -1.415 1.00 0.00 C ATOM 737 NH1 ARG A 47 -10.320 -15.246 -2.168 1.00 0.00 N ATOM 738 NH2 ARG A 47 -12.363 -15.489 -1.096 1.00 0.00 N ATOM 0 H ARG A 47 -8.630 -9.617 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.481 -8.928 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.015 -11.347 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.542 -11.252 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.749 -11.568 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.662 -10.515 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.140 -12.242 -2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.151 -13.079 -1.141 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.991 -13.111 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.513 -14.672 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.379 -16.209 -2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.112 -15.100 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.421 -16.452 -1.426 1.00 0.00 H new ATOM 752 N GLU A 48 -6.224 -9.114 0.023 1.00 0.00 N ATOM 753 CA GLU A 48 -4.928 -8.762 0.576 1.00 0.00 C ATOM 754 C GLU A 48 -4.796 -7.243 0.693 1.00 0.00 C ATOM 755 O GLU A 48 -4.116 -6.743 1.589 1.00 0.00 O ATOM 756 CB GLU A 48 -3.794 -9.348 -0.267 1.00 0.00 C ATOM 757 CG GLU A 48 -3.096 -10.493 0.471 1.00 0.00 C ATOM 758 CD GLU A 48 -2.723 -10.080 1.896 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.769 -9.283 2.023 1.00 0.00 O ATOM 760 OE2 GLU A 48 -3.399 -10.570 2.825 1.00 0.00 O ATOM 0 H GLU A 48 -6.196 -9.481 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.852 -9.192 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.191 -9.711 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.070 -8.568 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.751 -11.364 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.198 -10.787 -0.073 1.00 0.00 H new ATOM 768 N CYS A 49 -5.454 -6.551 -0.224 1.00 0.00 N ATOM 769 CA CYS A 49 -5.419 -5.098 -0.235 1.00 0.00 C ATOM 770 C CYS A 49 -5.995 -4.594 1.091 1.00 0.00 C ATOM 771 O CYS A 49 -5.327 -3.863 1.822 1.00 0.00 O ATOM 772 CB CYS A 49 -6.169 -4.523 -1.438 1.00 0.00 C ATOM 773 SG CYS A 49 -5.182 -4.410 -2.975 1.00 0.00 S ATOM 0 H CYS A 49 -6.015 -6.969 -0.966 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.389 -4.757 -0.336 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.046 -5.141 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.531 -3.527 -1.181 1.00 0.00 H new ATOM 778 N ASP A 50 -7.225 -5.004 1.360 1.00 0.00 N ATOM 779 CA ASP A 50 -7.896 -4.603 2.584 1.00 0.00 C ATOM 780 C ASP A 50 -7.059 -5.040 3.787 1.00 0.00 C ATOM 781 O ASP A 50 -7.157 -4.451 4.862 1.00 0.00 O ATOM 782 CB ASP A 50 -9.271 -5.265 2.699 1.00 0.00 C ATOM 783 CG ASP A 50 -10.067 -4.888 3.951 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.672 -3.795 3.930 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.051 -5.701 4.900 1.00 0.00 O ATOM 0 H ASP A 50 -7.775 -5.610 0.751 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.017 -3.520 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.859 -5.002 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.139 -6.347 2.682 1.00 0.00 H new ATOM 791 N HIS A 51 -6.253 -6.068 3.565 1.00 0.00 N ATOM 792 CA HIS A 51 -5.399 -6.591 4.617 1.00 0.00 C ATOM 793 C HIS A 51 -4.036 -5.898 4.563 1.00 0.00 C ATOM 794 O HIS A 51 -3.138 -6.226 5.337 1.00 0.00 O ATOM 795 CB HIS A 51 -5.294 -8.114 4.526 1.00 0.00 C ATOM 796 CG HIS A 51 -6.484 -8.847 5.096 1.00 0.00 C ATOM 797 ND1 HIS A 51 -7.791 -8.489 4.814 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.552 -9.921 5.933 1.00 0.00 C ATOM 799 CE1 HIS A 51 -8.601 -9.316 5.458 1.00 0.00 C ATOM 800 NE2 HIS A 51 -7.831 -10.203 6.152 1.00 0.00 N ATOM 0 H HIS A 51 -6.174 -6.553 2.671 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.840 -6.374 5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.172 -8.398 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.395 -8.438 5.051 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.708 -10.453 6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.681 -9.292 5.437 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.180 -10.958 6.742 1.00 0.00 H new ATOM 809 N TYR A 52 -3.925 -4.953 3.641 1.00 0.00 N ATOM 810 CA TYR A 52 -2.687 -4.211 3.476 1.00 0.00 C ATOM 811 C TYR A 52 -2.846 -2.765 3.950 1.00 0.00 C ATOM 812 O TYR A 52 -1.968 -2.229 4.626 1.00 0.00 O ATOM 813 CB TYR A 52 -2.390 -4.214 1.975 1.00 0.00 C ATOM 814 CG TYR A 52 -0.961 -3.800 1.622 1.00 0.00 C ATOM 815 CD1 TYR A 52 0.097 -4.623 1.948 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.728 -2.602 0.976 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.443 -4.235 1.616 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.618 -2.212 0.644 1.00 0.00 C ATOM 819 CZ TYR A 52 1.636 -3.048 0.980 1.00 0.00 C ATOM 820 OH TYR A 52 2.908 -2.681 0.665 1.00 0.00 O ATOM 0 H TYR A 52 -4.672 -4.684 3.001 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.887 -4.665 4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.576 -5.213 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.086 -3.540 1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.085 -5.560 2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.556 -1.957 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.279 -4.871 1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.814 -1.277 0.140 1.00 0.00 H new ATOM 0 HH TYR A 52 3.511 -3.441 0.803 1.00 0.00 H new ATOM 830 N VAL A 53 -3.972 -2.174 3.576 1.00 0.00 N ATOM 831 CA VAL A 53 -4.258 -0.801 3.954 1.00 0.00 C ATOM 832 C VAL A 53 -4.321 -0.698 5.480 1.00 0.00 C ATOM 833 O VAL A 53 -4.289 0.399 6.035 1.00 0.00 O ATOM 834 CB VAL A 53 -5.540 -0.326 3.269 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.494 -0.602 1.765 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.773 -0.969 3.908 1.00 0.00 C ATOM 0 H VAL A 53 -4.697 -2.622 3.015 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.461 -0.138 3.617 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.614 0.753 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.418 -0.254 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.647 -0.076 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.384 -1.673 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.671 -0.615 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.708 -2.053 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.819 -0.698 4.963 1.00 0.00 H new ATOM 846 N ASN A 54 -4.410 -1.859 6.115 1.00 0.00 N ATOM 847 CA ASN A 54 -4.479 -1.914 7.565 1.00 0.00 C ATOM 848 C ASN A 54 -3.593 -3.055 8.070 1.00 0.00 C ATOM 849 O ASN A 54 -4.071 -3.963 8.748 1.00 0.00 O ATOM 850 CB ASN A 54 -5.908 -2.179 8.040 1.00 0.00 C ATOM 851 CG ASN A 54 -6.190 -1.463 9.362 1.00 0.00 C ATOM 852 OD1 ASN A 54 -6.928 -0.493 9.428 1.00 0.00 O ATOM 853 ND2 ASN A 54 -5.562 -1.993 10.409 1.00 0.00 N ATOM 0 H ASN A 54 -4.436 -2.767 5.652 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.143 -0.953 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.615 -1.842 7.282 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.061 -3.251 8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.684 -1.587 11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.958 -2.806 10.284 1.00 0.00 H new ATOM 860 N SER A 55 -2.318 -2.971 7.720 1.00 0.00 N ATOM 861 CA SER A 55 -1.361 -3.985 8.130 1.00 0.00 C ATOM 862 C SER A 55 0.062 -3.516 7.823 1.00 0.00 C ATOM 863 O SER A 55 0.966 -3.684 8.642 1.00 0.00 O ATOM 864 CB SER A 55 -1.641 -5.319 7.434 1.00 0.00 C ATOM 865 OG SER A 55 -2.975 -5.768 7.659 1.00 0.00 O ATOM 0 H SER A 55 -1.925 -2.217 7.157 1.00 0.00 H new ATOM 0 HA SER A 55 -1.463 -4.137 9.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.470 -5.212 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.939 -6.071 7.795 1.00 0.00 H new ATOM 0 HG SER A 55 -3.354 -5.296 8.430 1.00 0.00 H new ATOM 871 N LYS A 56 0.219 -2.938 6.642 1.00 0.00 N ATOM 872 CA LYS A 56 1.518 -2.443 6.217 1.00 0.00 C ATOM 873 C LYS A 56 1.366 -1.018 5.682 1.00 0.00 C ATOM 874 O LYS A 56 2.194 -0.553 4.899 1.00 0.00 O ATOM 875 CB LYS A 56 2.159 -3.409 5.220 1.00 0.00 C ATOM 876 CG LYS A 56 2.475 -4.752 5.881 1.00 0.00 C ATOM 877 CD LYS A 56 1.299 -5.721 5.743 1.00 0.00 C ATOM 878 CE LYS A 56 1.778 -7.173 5.793 1.00 0.00 C ATOM 879 NZ LYS A 56 1.034 -7.929 6.825 1.00 0.00 N ATOM 0 H LYS A 56 -0.532 -2.801 5.965 1.00 0.00 H new ATOM 0 HA LYS A 56 2.203 -2.394 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.487 -3.565 4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.075 -2.971 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.364 -5.186 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.702 -4.598 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.581 -5.543 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.780 -5.537 4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.638 -7.642 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.846 -7.203 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.371 -8.913 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.188 -7.490 7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.019 -7.916 6.600 1.00 0.00 H new ATOM 893 N VAL A 57 0.303 -0.363 6.125 1.00 0.00 N ATOM 894 CA VAL A 57 0.031 1.000 5.700 1.00 0.00 C ATOM 895 C VAL A 57 0.550 1.972 6.761 1.00 0.00 C ATOM 896 O VAL A 57 0.844 3.128 6.458 1.00 0.00 O ATOM 897 CB VAL A 57 -1.461 1.170 5.411 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.051 2.319 6.232 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.710 1.380 3.916 1.00 0.00 C ATOM 0 H VAL A 57 -0.381 -0.751 6.775 1.00 0.00 H new ATOM 0 HA VAL A 57 0.555 1.223 4.771 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.966 0.251 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.113 2.419 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.922 2.111 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.538 3.247 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.779 1.498 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.186 2.275 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.343 0.516 3.361 1.00 0.00 H new ATOM 909 N ASP A 58 0.647 1.470 7.982 1.00 0.00 N ATOM 910 CA ASP A 58 1.125 2.280 9.090 1.00 0.00 C ATOM 911 C ASP A 58 2.646 2.420 8.994 1.00 0.00 C ATOM 912 O ASP A 58 3.186 3.509 9.184 1.00 0.00 O ATOM 913 CB ASP A 58 0.794 1.627 10.433 1.00 0.00 C ATOM 914 CG ASP A 58 -0.197 2.404 11.303 1.00 0.00 C ATOM 915 OD1 ASP A 58 0.153 3.540 11.686 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.283 1.843 11.565 1.00 0.00 O ATOM 0 H ASP A 58 0.403 0.511 8.230 1.00 0.00 H new ATOM 0 HA ASP A 58 0.636 3.253 9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.389 0.633 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.720 1.494 10.993 1.00 0.00 H new ATOM 922 N PRO A 59 3.310 1.273 8.692 1.00 0.00 N ATOM 923 CA PRO A 59 4.758 1.257 8.569 1.00 0.00 C ATOM 924 C PRO A 59 5.204 1.902 7.255 1.00 0.00 C ATOM 925 O PRO A 59 5.997 2.842 7.258 1.00 0.00 O ATOM 926 CB PRO A 59 5.146 -0.209 8.672 1.00 0.00 C ATOM 927 CG PRO A 59 3.879 -0.996 8.384 1.00 0.00 C ATOM 928 CD PRO A 59 2.704 -0.035 8.461 1.00 0.00 C ATOM 0 HA PRO A 59 5.252 1.842 9.345 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.931 -0.457 7.957 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.534 -0.442 9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.932 -1.456 7.397 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.759 -1.804 9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.123 -0.045 7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.024 -0.305 9.269 1.00 0.00 H new ATOM 936 N ILE A 60 4.673 1.371 6.163 1.00 0.00 N ATOM 937 CA ILE A 60 5.006 1.883 4.845 1.00 0.00 C ATOM 938 C ILE A 60 5.003 3.412 4.880 1.00 0.00 C ATOM 939 O ILE A 60 5.959 4.050 4.440 1.00 0.00 O ATOM 940 CB ILE A 60 4.072 1.291 3.788 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.405 -0.179 3.523 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.096 2.123 2.504 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.333 -0.836 2.651 1.00 0.00 C ATOM 0 H ILE A 60 4.015 0.592 6.164 1.00 0.00 H new ATOM 0 HA ILE A 60 6.011 1.572 4.559 1.00 0.00 H new ATOM 0 HB ILE A 60 3.054 1.327 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.375 -0.253 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.487 -0.713 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.423 1.679 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.773 3.141 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.109 2.143 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.594 -1.880 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.369 -0.782 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.271 -0.314 1.696 1.00 0.00 H new ATOM 955 N ILE A 61 3.917 3.959 5.408 1.00 0.00 N ATOM 956 CA ILE A 61 3.777 5.401 5.508 1.00 0.00 C ATOM 957 C ILE A 61 4.892 5.958 6.395 1.00 0.00 C ATOM 958 O ILE A 61 5.303 7.107 6.235 1.00 0.00 O ATOM 959 CB ILE A 61 2.370 5.771 5.982 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.310 5.279 4.994 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.257 7.274 6.242 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.096 5.453 5.568 1.00 0.00 C ATOM 0 H ILE A 61 3.125 3.428 5.771 1.00 0.00 H new ATOM 0 HA ILE A 61 3.890 5.863 4.527 1.00 0.00 H new ATOM 0 HB ILE A 61 2.185 5.265 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.396 5.831 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.484 4.229 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.247 7.510 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.973 7.565 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.471 7.819 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.830 5.096 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.186 4.880 6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.276 6.508 5.777 1.00 0.00 H new ATOM 974 N HIS A 62 5.351 5.118 7.310 1.00 0.00 N ATOM 975 CA HIS A 62 6.411 5.512 8.223 1.00 0.00 C ATOM 976 C HIS A 62 7.720 5.676 7.449 1.00 0.00 C ATOM 977 O HIS A 62 8.560 6.498 7.812 1.00 0.00 O ATOM 978 CB HIS A 62 6.526 4.518 9.382 1.00 0.00 C ATOM 979 CG HIS A 62 7.749 3.634 9.312 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.320 2.986 8.257 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 8.524 3.338 10.420 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.387 2.329 8.697 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 9.515 2.546 10.038 1.00 0.00 N flip ATOM 0 H HIS A 62 5.009 4.166 7.439 1.00 0.00 H new ATOM 0 HA HIS A 62 6.172 6.477 8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.543 5.071 10.321 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.636 3.889 9.398 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.350 3.692 11.425 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.045 1.723 8.093 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.245 2.166 10.640 1.00 0.00 H new ATOM 992 N GLU A 63 7.853 4.880 6.398 1.00 0.00 N ATOM 993 CA GLU A 63 9.046 4.928 5.570 1.00 0.00 C ATOM 994 C GLU A 63 9.114 6.255 4.814 1.00 0.00 C ATOM 995 O GLU A 63 10.195 6.810 4.621 1.00 0.00 O ATOM 996 CB GLU A 63 9.089 3.742 4.604 1.00 0.00 C ATOM 997 CG GLU A 63 9.690 2.507 5.277 1.00 0.00 C ATOM 998 CD GLU A 63 11.035 2.838 5.929 1.00 0.00 C ATOM 999 OE1 GLU A 63 11.007 3.268 7.102 1.00 0.00 O ATOM 1000 OE2 GLU A 63 12.060 2.652 5.238 1.00 0.00 O ATOM 0 H GLU A 63 7.155 4.199 6.101 1.00 0.00 H new ATOM 0 HA GLU A 63 9.919 4.858 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.081 3.516 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.679 4.005 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.000 2.127 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.824 1.716 4.540 1.00 0.00 H new ATOM 1008 N LEU A 64 7.946 6.728 4.404 1.00 0.00 N ATOM 1009 CA LEU A 64 7.859 7.980 3.673 1.00 0.00 C ATOM 1010 C LEU A 64 7.747 9.139 4.665 1.00 0.00 C ATOM 1011 O LEU A 64 7.953 10.296 4.300 1.00 0.00 O ATOM 1012 CB LEU A 64 6.718 7.928 2.655 1.00 0.00 C ATOM 1013 CG LEU A 64 6.438 6.561 2.029 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.964 6.427 1.642 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.369 6.299 0.843 1.00 0.00 C ATOM 0 H LEU A 64 7.051 6.266 4.565 1.00 0.00 H new ATOM 0 HA LEU A 64 8.766 8.145 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.807 8.275 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.940 8.633 1.854 1.00 0.00 H new ATOM 0 HG LEU A 64 6.646 5.795 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.792 5.446 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.343 6.538 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.706 7.201 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.149 5.320 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.218 7.068 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.405 6.322 1.182 1.00 0.00 H new ATOM 1027 N GLU A 65 7.421 8.789 5.900 1.00 0.00 N ATOM 1028 CA GLU A 65 7.278 9.785 6.949 1.00 0.00 C ATOM 1029 C GLU A 65 8.594 10.542 7.144 1.00 0.00 C ATOM 1030 O GLU A 65 8.598 11.766 7.257 1.00 0.00 O ATOM 1031 CB GLU A 65 6.816 9.142 8.257 1.00 0.00 C ATOM 1032 CG GLU A 65 5.293 9.192 8.384 1.00 0.00 C ATOM 1033 CD GLU A 65 4.872 9.466 9.830 1.00 0.00 C ATOM 1034 OE1 GLU A 65 5.563 10.282 10.477 1.00 0.00 O ATOM 1035 OE2 GLU A 65 3.868 8.855 10.254 1.00 0.00 O ATOM 0 H GLU A 65 7.251 7.829 6.199 1.00 0.00 H new ATOM 0 HA GLU A 65 6.512 10.498 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.154 8.106 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.272 9.659 9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.895 9.970 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.865 8.247 8.050 1.00 0.00 H new ATOM 1043 N GLY A 66 9.678 9.781 7.175 1.00 0.00 N ATOM 1044 CA GLY A 66 10.996 10.364 7.354 1.00 0.00 C ATOM 1045 C GLY A 66 12.058 9.276 7.536 1.00 0.00 C ATOM 1046 O GLY A 66 12.178 8.695 8.613 1.00 0.00 O ATOM 0 H GLY A 66 9.670 8.766 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.246 10.980 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.992 11.022 8.223 1.00 0.00 H new ATOM 1050 N GLY A 67 12.798 9.033 6.464 1.00 0.00 N ATOM 1051 CA GLY A 67 13.845 8.026 6.491 1.00 0.00 C ATOM 1052 C GLY A 67 13.986 7.345 5.128 1.00 0.00 C ATOM 1053 O GLY A 67 15.069 7.336 4.545 1.00 0.00 O ATOM 0 H GLY A 67 12.693 9.516 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.792 8.488 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.618 7.280 7.252 1.00 0.00 H new ATOM 1057 N THR A 68 12.877 6.792 4.661 1.00 0.00 N ATOM 1058 CA THR A 68 12.864 6.112 3.377 1.00 0.00 C ATOM 1059 C THR A 68 11.975 6.863 2.384 1.00 0.00 C ATOM 1060 O THR A 68 11.278 7.805 2.758 1.00 0.00 O ATOM 1061 CB THR A 68 12.423 4.665 3.613 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.534 4.069 4.278 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.298 3.871 2.312 1.00 0.00 C ATOM 0 H THR A 68 11.981 6.801 5.148 1.00 0.00 H new ATOM 0 HA THR A 68 13.857 6.096 2.928 1.00 0.00 H new ATOM 0 HB THR A 68 11.466 4.657 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.220 3.585 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.983 2.852 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.559 4.345 1.666 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.263 3.849 1.805 1.00 0.00 H new ATOM 1071 N ALA A 69 12.028 6.417 1.137 1.00 0.00 N ATOM 1072 CA ALA A 69 11.236 7.036 0.088 1.00 0.00 C ATOM 1073 C ALA A 69 10.273 5.999 -0.497 1.00 0.00 C ATOM 1074 O ALA A 69 10.330 4.823 -0.140 1.00 0.00 O ATOM 1075 CB ALA A 69 12.167 7.628 -0.972 1.00 0.00 C ATOM 0 H ALA A 69 12.607 5.635 0.830 1.00 0.00 H new ATOM 0 HA ALA A 69 10.637 7.853 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.573 8.093 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.811 8.378 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.781 6.836 -1.400 1.00 0.00 H new ATOM 1081 N PRO A 70 9.388 6.486 -1.408 1.00 0.00 N ATOM 1082 CA PRO A 70 8.415 5.616 -2.044 1.00 0.00 C ATOM 1083 C PRO A 70 9.077 4.736 -3.106 1.00 0.00 C ATOM 1084 O PRO A 70 8.893 4.956 -4.303 1.00 0.00 O ATOM 1085 CB PRO A 70 7.365 6.553 -2.620 1.00 0.00 C ATOM 1086 CG PRO A 70 8.023 7.922 -2.689 1.00 0.00 C ATOM 1087 CD PRO A 70 9.291 7.873 -1.854 1.00 0.00 C ATOM 0 HA PRO A 70 7.962 4.912 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.046 6.222 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.476 6.578 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.256 8.182 -3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.347 8.690 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.163 8.162 -2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.235 8.558 -1.008 1.00 0.00 H new ATOM 1095 N LYS A 71 9.836 3.759 -2.631 1.00 0.00 N ATOM 1096 CA LYS A 71 10.527 2.846 -3.525 1.00 0.00 C ATOM 1097 C LYS A 71 11.298 1.815 -2.698 1.00 0.00 C ATOM 1098 O LYS A 71 11.352 0.640 -3.058 1.00 0.00 O ATOM 1099 CB LYS A 71 11.403 3.622 -4.512 1.00 0.00 C ATOM 1100 CG LYS A 71 12.197 4.716 -3.797 1.00 0.00 C ATOM 1101 CD LYS A 71 13.383 5.177 -4.645 1.00 0.00 C ATOM 1102 CE LYS A 71 14.709 4.766 -4.002 1.00 0.00 C ATOM 1103 NZ LYS A 71 15.308 3.626 -4.732 1.00 0.00 N ATOM 0 H LYS A 71 9.987 3.580 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 71 9.811 2.295 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.089 2.937 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.778 4.068 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.545 5.564 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.555 4.342 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.310 4.746 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.352 6.260 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.399 5.610 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.545 4.492 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.207 3.360 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.656 2.816 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.483 3.900 -5.720 1.00 0.00 H new ATOM 1117 N ASP A 72 11.875 2.292 -1.605 1.00 0.00 N ATOM 1118 CA ASP A 72 12.640 1.427 -0.723 1.00 0.00 C ATOM 1119 C ASP A 72 11.898 1.276 0.606 1.00 0.00 C ATOM 1120 O ASP A 72 12.501 0.936 1.623 1.00 0.00 O ATOM 1121 CB ASP A 72 14.019 2.020 -0.431 1.00 0.00 C ATOM 1122 CG ASP A 72 15.103 0.996 -0.089 1.00 0.00 C ATOM 1123 OD1 ASP A 72 14.886 0.242 0.884 1.00 0.00 O ATOM 1124 OD2 ASP A 72 16.127 0.992 -0.807 1.00 0.00 O ATOM 0 H ASP A 72 11.828 3.267 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 72 12.760 0.463 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.343 2.593 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.928 2.722 0.398 1.00 0.00 H new ATOM 1130 N VAL A 73 10.599 1.535 0.555 1.00 0.00 N ATOM 1131 CA VAL A 73 9.769 1.431 1.743 1.00 0.00 C ATOM 1132 C VAL A 73 9.576 -0.044 2.099 1.00 0.00 C ATOM 1133 O VAL A 73 10.281 -0.576 2.956 1.00 0.00 O ATOM 1134 CB VAL A 73 8.447 2.171 1.523 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.388 1.709 2.526 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.648 3.686 1.595 1.00 0.00 C ATOM 0 H VAL A 73 10.102 1.816 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 73 10.257 1.908 2.593 1.00 0.00 H new ATOM 0 HB VAL A 73 8.089 1.929 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.458 2.250 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.215 0.640 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.736 1.908 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.694 4.188 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.040 3.955 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.354 3.996 0.825 1.00 0.00 H new ATOM 1146 N CYS A 74 8.619 -0.663 1.424 1.00 0.00 N ATOM 1147 CA CYS A 74 8.325 -2.066 1.659 1.00 0.00 C ATOM 1148 C CYS A 74 9.639 -2.788 1.966 1.00 0.00 C ATOM 1149 O CYS A 74 9.762 -3.448 2.996 1.00 0.00 O ATOM 1150 CB CYS A 74 7.591 -2.696 0.474 1.00 0.00 C ATOM 1151 SG CYS A 74 7.916 -1.898 -1.141 1.00 0.00 S ATOM 0 H CYS A 74 8.037 -0.218 0.714 1.00 0.00 H new ATOM 0 HA CYS A 74 7.652 -2.161 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.872 -3.747 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.519 -2.665 0.670 1.00 0.00 H new ATOM 1156 N THR A 75 10.587 -2.635 1.054 1.00 0.00 N ATOM 1157 CA THR A 75 11.887 -3.264 1.213 1.00 0.00 C ATOM 1158 C THR A 75 12.411 -3.051 2.635 1.00 0.00 C ATOM 1159 O THR A 75 12.756 -4.010 3.324 1.00 0.00 O ATOM 1160 CB THR A 75 12.817 -2.708 0.133 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.152 -3.015 -1.089 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.136 -3.479 0.043 1.00 0.00 C ATOM 0 H THR A 75 10.481 -2.084 0.202 1.00 0.00 H new ATOM 0 HA THR A 75 11.823 -4.344 1.082 1.00 0.00 H new ATOM 0 HB THR A 75 13.024 -1.657 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.686 -2.688 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.759 -3.044 -0.738 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.658 -3.420 0.998 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.932 -4.523 -0.195 1.00 0.00 H new ATOM 1170 N LYS A 76 12.455 -1.787 3.032 1.00 0.00 N ATOM 1171 CA LYS A 76 12.932 -1.435 4.358 1.00 0.00 C ATOM 1172 C LYS A 76 12.389 -2.443 5.374 1.00 0.00 C ATOM 1173 O LYS A 76 13.153 -3.033 6.137 1.00 0.00 O ATOM 1174 CB LYS A 76 12.581 0.017 4.686 1.00 0.00 C ATOM 1175 CG LYS A 76 13.842 0.878 4.778 1.00 0.00 C ATOM 1176 CD LYS A 76 14.103 1.315 6.220 1.00 0.00 C ATOM 1177 CE LYS A 76 15.283 0.548 6.821 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.565 1.108 6.338 1.00 0.00 N ATOM 0 H LYS A 76 12.168 -0.994 2.458 1.00 0.00 H new ATOM 0 HA LYS A 76 14.020 -1.493 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.918 0.417 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.038 0.059 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.698 0.317 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.734 1.756 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.308 2.385 6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.210 1.146 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.243 0.601 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.215 -0.506 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.355 0.576 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.607 1.035 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.634 2.107 6.617 1.00 0.00 H new ATOM 1192 N LEU A 77 11.075 -2.610 5.350 1.00 0.00 N ATOM 1193 CA LEU A 77 10.422 -3.537 6.259 1.00 0.00 C ATOM 1194 C LEU A 77 10.266 -4.894 5.571 1.00 0.00 C ATOM 1195 O LEU A 77 9.199 -5.505 5.632 1.00 0.00 O ATOM 1196 CB LEU A 77 9.104 -2.950 6.767 1.00 0.00 C ATOM 1197 CG LEU A 77 8.795 -1.516 6.330 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.833 -1.502 5.140 1.00 0.00 C ATOM 1199 CD2 LEU A 77 8.271 -0.685 7.502 1.00 0.00 C ATOM 0 H LEU A 77 10.445 -2.119 4.716 1.00 0.00 H new ATOM 0 HA LEU A 77 11.036 -3.697 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.290 -3.594 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.110 -2.983 7.856 1.00 0.00 H new ATOM 0 HG LEU A 77 9.724 -1.052 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.629 -0.472 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.283 -2.034 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.900 -1.991 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.060 0.329 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.357 -1.136 7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.022 -0.655 8.291 1.00 0.00 H new ATOM 1211 N ASN A 78 11.343 -5.327 4.933 1.00 0.00 N ATOM 1212 CA ASN A 78 11.339 -6.601 4.234 1.00 0.00 C ATOM 1213 C ASN A 78 9.941 -6.863 3.670 1.00 0.00 C ATOM 1214 O ASN A 78 9.468 -7.999 3.675 1.00 0.00 O ATOM 1215 CB ASN A 78 11.688 -7.750 5.182 1.00 0.00 C ATOM 1216 CG ASN A 78 13.203 -7.949 5.267 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.955 -7.573 4.383 1.00 0.00 O ATOM 1218 ND2 ASN A 78 13.608 -8.559 6.377 1.00 0.00 N ATOM 0 H ASN A 78 12.225 -4.818 4.885 1.00 0.00 H new ATOM 0 HA ASN A 78 12.082 -6.551 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.289 -7.542 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.216 -8.669 4.835 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.601 -8.738 6.528 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.926 -8.848 7.078 1.00 0.00 H new ATOM 1225 N GLU A 79 9.319 -5.794 3.196 1.00 0.00 N ATOM 1226 CA GLU A 79 7.985 -5.893 2.629 1.00 0.00 C ATOM 1227 C GLU A 79 8.065 -6.056 1.110 1.00 0.00 C ATOM 1228 O GLU A 79 7.140 -6.575 0.488 1.00 0.00 O ATOM 1229 CB GLU A 79 7.136 -4.678 3.008 1.00 0.00 C ATOM 1230 CG GLU A 79 5.817 -5.110 3.651 1.00 0.00 C ATOM 1231 CD GLU A 79 4.682 -5.120 2.624 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.471 -4.056 2.002 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.053 -6.190 2.486 1.00 0.00 O ATOM 0 H GLU A 79 9.715 -4.854 3.193 1.00 0.00 H new ATOM 0 HA GLU A 79 7.499 -6.776 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.691 -4.043 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.933 -4.080 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.928 -6.104 4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.567 -4.432 4.467 1.00 0.00 H new ATOM 1241 N CYS A 80 9.180 -5.600 0.556 1.00 0.00 N ATOM 1242 CA CYS A 80 9.392 -5.687 -0.878 1.00 0.00 C ATOM 1243 C CYS A 80 10.663 -6.504 -1.127 1.00 0.00 C ATOM 1244 O CYS A 80 11.671 -6.311 -0.451 1.00 0.00 O ATOM 1245 CB CYS A 80 9.469 -4.303 -1.525 1.00 0.00 C ATOM 1246 SG CYS A 80 7.883 -3.675 -2.187 1.00 0.00 S ATOM 0 H CYS A 80 9.945 -5.169 1.075 1.00 0.00 H new ATOM 0 HA CYS A 80 8.542 -6.186 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.845 -3.593 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.197 -4.337 -2.336 1.00 0.00 H new ATOM 1251 N PRO A 81 10.568 -7.424 -2.125 1.00 0.00 N ATOM 1252 CA PRO A 81 9.336 -7.589 -2.876 1.00 0.00 C ATOM 1253 C PRO A 81 8.283 -8.329 -2.048 1.00 0.00 C ATOM 1254 O PRO A 81 8.483 -9.483 -1.673 1.00 0.00 O ATOM 1255 CB PRO A 81 9.740 -8.341 -4.133 1.00 0.00 C ATOM 1256 CG PRO A 81 11.086 -8.976 -3.825 1.00 0.00 C ATOM 1257 CD PRO A 81 11.629 -8.326 -2.561 1.00 0.00 C ATOM 0 HA PRO A 81 8.867 -6.638 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.000 -9.099 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.813 -7.666 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.978 -10.052 -3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.776 -8.830 -4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.854 -9.071 -1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.553 -7.784 -2.760 1.00 0.00 H new