USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 50 THR OG1 : rot 65:sc= -1.99! USER MOD Set 1.2: A 51 GLN : amide:sc= 0.00461 K(o=-2,f=-3.2) USER MOD Set 2.1: A 17 THR OG1 : rot -76:sc= -1.16! USER MOD Set 2.2: A 18 ASN : amide:sc= -1.76! C(o=-2.9!,f=-7.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= -0.339 (180deg=-2.12!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0324 X(o=-0.032,f=-0.047) USER MOD Single : A 12 THR OG1 : rot 163:sc= -12.1! USER MOD Single : A 14 ASN :FLIP amide:sc= 1.14 F(o=-0.44,f=1.1) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.0131 (180deg=-0.342) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 127:sc= -0.959! USER MOD Single : A 29 TYR OH : rot 30:sc= -1.56! USER MOD Single : A 31 ASN : amide:sc= -2.37 K(o=-2.4,f=-5.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -7.65! C(o=-7.6!,f=-15!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 43:sc= 0.0985 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 8.291 -10.120 0.955 1.00 0.00 N ATOM 33 CA VAL A 3 6.818 -9.906 0.950 1.00 0.00 C ATOM 34 C VAL A 3 6.280 -10.104 2.369 1.00 0.00 C ATOM 35 O VAL A 3 5.263 -9.556 2.741 1.00 0.00 O ATOM 36 CB VAL A 3 6.146 -10.904 0.000 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.877 -10.279 -0.582 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.101 -11.255 -1.142 1.00 0.00 C ATOM 0 HA VAL A 3 6.599 -8.894 0.610 1.00 0.00 H new ATOM 0 HB VAL A 3 5.892 -11.808 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.399 -10.988 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.191 -10.029 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.136 -9.374 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.619 -11.965 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.358 -10.350 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.008 -11.701 -0.734 1.00 0.00 H new ATOM 48 N GLU A 4 6.960 -10.885 3.167 1.00 0.00 N ATOM 49 CA GLU A 4 6.494 -11.120 4.564 1.00 0.00 C ATOM 50 C GLU A 4 6.572 -9.816 5.358 1.00 0.00 C ATOM 51 O GLU A 4 5.641 -9.441 6.041 1.00 0.00 O ATOM 52 CB GLU A 4 7.379 -12.178 5.226 1.00 0.00 C ATOM 53 CG GLU A 4 6.523 -13.067 6.128 1.00 0.00 C ATOM 54 CD GLU A 4 7.021 -12.961 7.570 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.138 -13.381 7.823 1.00 0.00 O ATOM 56 OE2 GLU A 4 6.277 -12.461 8.398 1.00 0.00 O ATOM 0 H GLU A 4 7.819 -11.371 2.910 1.00 0.00 H new ATOM 0 HA GLU A 4 5.462 -11.470 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.873 -12.782 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.164 -11.697 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.478 -12.763 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.573 -14.102 5.790 1.00 0.00 H new ATOM 63 N SER A 5 7.671 -9.118 5.273 1.00 0.00 N ATOM 64 CA SER A 5 7.793 -7.835 6.022 1.00 0.00 C ATOM 65 C SER A 5 6.976 -6.765 5.306 1.00 0.00 C ATOM 66 O SER A 5 6.276 -5.988 5.923 1.00 0.00 O ATOM 67 CB SER A 5 9.260 -7.408 6.084 1.00 0.00 C ATOM 68 OG SER A 5 9.984 -8.323 6.895 1.00 0.00 O ATOM 0 H SER A 5 8.487 -9.379 4.720 1.00 0.00 H new ATOM 0 HA SER A 5 7.420 -7.966 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.685 -7.380 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.340 -6.401 6.493 1.00 0.00 H new ATOM 0 HG SER A 5 10.925 -8.052 6.934 1.00 0.00 H new ATOM 74 N CYS A 6 7.048 -6.727 4.006 1.00 0.00 N ATOM 75 CA CYS A 6 6.256 -5.717 3.257 1.00 0.00 C ATOM 76 C CYS A 6 4.795 -5.867 3.666 1.00 0.00 C ATOM 77 O CYS A 6 4.029 -4.925 3.645 1.00 0.00 O ATOM 78 CB CYS A 6 6.397 -5.951 1.754 1.00 0.00 C ATOM 79 SG CYS A 6 5.855 -4.468 0.869 1.00 0.00 S ATOM 0 H CYS A 6 7.618 -7.349 3.433 1.00 0.00 H new ATOM 0 HA CYS A 6 6.615 -4.713 3.485 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.433 -6.180 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.799 -6.810 1.450 1.00 0.00 H new ATOM 84 N LEU A 7 4.414 -7.049 4.065 1.00 0.00 N ATOM 85 CA LEU A 7 3.015 -7.270 4.506 1.00 0.00 C ATOM 86 C LEU A 7 2.951 -7.061 6.016 1.00 0.00 C ATOM 87 O LEU A 7 1.931 -6.692 6.566 1.00 0.00 O ATOM 88 CB LEU A 7 2.585 -8.690 4.162 1.00 0.00 C ATOM 89 CG LEU A 7 2.670 -8.897 2.651 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.867 -10.384 2.354 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.376 -8.409 1.995 1.00 0.00 C ATOM 0 H LEU A 7 5.016 -7.872 4.103 1.00 0.00 H new ATOM 0 HA LEU A 7 2.347 -6.572 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.224 -9.409 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.566 -8.866 4.507 1.00 0.00 H new ATOM 0 HG LEU A 7 3.512 -8.332 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.928 -10.535 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.789 -10.729 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.024 -10.949 2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.437 -8.557 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.532 -8.973 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.237 -7.349 2.209 1.00 0.00 H new ATOM 103 N ALA A 8 4.056 -7.259 6.685 1.00 0.00 N ATOM 104 CA ALA A 8 4.092 -7.033 8.157 1.00 0.00 C ATOM 105 C ALA A 8 3.893 -5.536 8.396 1.00 0.00 C ATOM 106 O ALA A 8 3.626 -5.091 9.494 1.00 0.00 O ATOM 107 CB ALA A 8 5.450 -7.467 8.714 1.00 0.00 C ATOM 0 H ALA A 8 4.936 -7.568 6.273 1.00 0.00 H new ATOM 0 HA ALA A 8 3.313 -7.611 8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.472 -7.300 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.606 -8.526 8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.240 -6.885 8.240 1.00 0.00 H new ATOM 113 N LYS A 9 4.016 -4.774 7.341 1.00 0.00 N ATOM 114 CA LYS A 9 3.831 -3.302 7.394 1.00 0.00 C ATOM 115 C LYS A 9 2.528 -2.985 8.160 1.00 0.00 C ATOM 116 O LYS A 9 1.889 -3.891 8.656 1.00 0.00 O ATOM 117 CB LYS A 9 3.783 -2.857 5.929 1.00 0.00 C ATOM 118 CG LYS A 9 5.160 -3.123 5.313 1.00 0.00 C ATOM 119 CD LYS A 9 5.273 -2.420 3.961 1.00 0.00 C ATOM 120 CE LYS A 9 6.507 -1.513 3.959 1.00 0.00 C ATOM 121 NZ LYS A 9 6.529 -0.690 5.202 1.00 0.00 N ATOM 0 H LYS A 9 4.246 -5.130 6.413 1.00 0.00 H new ATOM 0 HA LYS A 9 4.627 -2.776 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.011 -3.404 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.531 -1.799 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.942 -2.767 5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.311 -4.195 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.349 -3.157 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.376 -1.832 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.413 -2.116 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.492 -0.865 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.906 0.255 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.563 -0.600 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.134 -1.150 5.912 1.00 0.00 H new ATOM 135 N PRO A 10 2.155 -1.723 8.257 1.00 0.00 N ATOM 136 CA PRO A 10 0.937 -1.340 8.990 1.00 0.00 C ATOM 137 C PRO A 10 -0.296 -1.749 8.188 1.00 0.00 C ATOM 138 O PRO A 10 -1.418 -1.623 8.634 1.00 0.00 O ATOM 139 CB PRO A 10 1.062 0.179 9.149 1.00 0.00 C ATOM 140 CG PRO A 10 2.042 0.651 8.053 1.00 0.00 C ATOM 141 CD PRO A 10 2.865 -0.584 7.639 1.00 0.00 C ATOM 0 HA PRO A 10 0.830 -1.828 9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.092 0.663 9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.434 0.437 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.501 1.060 7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.692 1.442 8.428 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.911 -0.686 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.892 -0.515 7.997 1.00 0.00 H new ATOM 149 N HIS A 11 -0.079 -2.277 7.016 1.00 0.00 N ATOM 150 CA HIS A 11 -1.207 -2.747 6.178 1.00 0.00 C ATOM 151 C HIS A 11 -2.036 -1.588 5.649 1.00 0.00 C ATOM 152 O HIS A 11 -3.098 -1.313 6.161 1.00 0.00 O ATOM 153 CB HIS A 11 -2.125 -3.645 6.997 1.00 0.00 C ATOM 154 CG HIS A 11 -1.993 -5.062 6.513 1.00 0.00 C ATOM 155 ND1 HIS A 11 -2.926 -5.641 5.668 1.00 0.00 N ATOM 156 CD2 HIS A 11 -1.041 -6.025 6.739 1.00 0.00 C ATOM 157 CE1 HIS A 11 -2.520 -6.899 5.417 1.00 0.00 C ATOM 158 NE2 HIS A 11 -1.376 -7.185 6.045 1.00 0.00 N ATOM 0 H HIS A 11 0.845 -2.403 6.602 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.777 -3.292 5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.865 -3.584 8.054 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.158 -3.311 6.903 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.166 -5.902 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.054 -7.593 4.785 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.859 -8.064 6.021 1.00 0.00 H new ATOM 166 N THR A 12 -1.592 -0.957 4.596 1.00 0.00 N ATOM 167 CA THR A 12 -2.394 0.137 3.977 1.00 0.00 C ATOM 168 C THR A 12 -2.154 1.499 4.635 1.00 0.00 C ATOM 169 O THR A 12 -1.798 2.448 3.965 1.00 0.00 O ATOM 170 CB THR A 12 -3.887 -0.262 4.025 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.491 -0.072 2.763 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.661 0.546 5.080 1.00 0.00 C ATOM 0 H THR A 12 -0.703 -1.153 4.135 1.00 0.00 H new ATOM 0 HA THR A 12 -2.074 0.258 2.942 1.00 0.00 H new ATOM 0 HB THR A 12 -3.927 -1.316 4.299 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.334 -0.570 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.706 0.235 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.228 0.368 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.599 1.608 4.843 1.00 0.00 H new ATOM 180 N GLU A 13 -2.372 1.635 5.911 1.00 0.00 N ATOM 181 CA GLU A 13 -2.178 2.975 6.528 1.00 0.00 C ATOM 182 C GLU A 13 -0.873 3.593 6.022 1.00 0.00 C ATOM 183 O GLU A 13 0.205 3.294 6.496 1.00 0.00 O ATOM 184 CB GLU A 13 -2.142 2.868 8.050 1.00 0.00 C ATOM 185 CG GLU A 13 -2.311 4.267 8.650 1.00 0.00 C ATOM 186 CD GLU A 13 -1.390 4.419 9.862 1.00 0.00 C ATOM 187 OE1 GLU A 13 -1.654 3.778 10.867 1.00 0.00 O ATOM 188 OE2 GLU A 13 -0.436 5.173 9.767 1.00 0.00 O ATOM 0 H GLU A 13 -2.670 0.893 6.544 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.016 3.612 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.936 2.209 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.198 2.430 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.075 5.025 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.348 4.424 8.946 1.00 0.00 H new ATOM 195 N ASN A 14 -0.981 4.449 5.048 1.00 0.00 N ATOM 196 CA ASN A 14 0.215 5.109 4.463 1.00 0.00 C ATOM 197 C ASN A 14 -0.210 5.735 3.141 1.00 0.00 C ATOM 198 O ASN A 14 -1.367 6.062 2.949 1.00 0.00 O ATOM 199 CB ASN A 14 1.314 4.073 4.209 1.00 0.00 C ATOM 200 CG ASN A 14 2.558 4.440 5.020 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.580 4.980 4.413 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 2.602 4.234 6.216 1.00 0.00 N flip ATOM 0 H ASN A 14 -1.867 4.724 4.624 1.00 0.00 H new ATOM 0 HA ASN A 14 0.605 5.865 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.964 3.080 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.557 4.037 3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.804 3.812 6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.437 4.483 6.746 1.00 0.00 H new ATOM 209 N SER A 15 0.693 5.904 2.219 1.00 0.00 N ATOM 210 CA SER A 15 0.287 6.503 0.928 1.00 0.00 C ATOM 211 C SER A 15 1.493 6.673 0.019 1.00 0.00 C ATOM 212 O SER A 15 2.556 6.138 0.264 1.00 0.00 O ATOM 213 CB SER A 15 -0.338 7.865 1.196 1.00 0.00 C ATOM 214 OG SER A 15 0.537 8.634 2.010 1.00 0.00 O ATOM 0 H SER A 15 1.679 5.657 2.304 1.00 0.00 H new ATOM 0 HA SER A 15 -0.431 5.846 0.436 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.526 8.382 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.301 7.744 1.692 1.00 0.00 H new ATOM 0 HG SER A 15 0.137 9.512 2.182 1.00 0.00 H new ATOM 220 N PHE A 16 1.331 7.417 -1.035 1.00 0.00 N ATOM 221 CA PHE A 16 2.460 7.627 -1.968 1.00 0.00 C ATOM 222 C PHE A 16 1.992 8.539 -3.106 1.00 0.00 C ATOM 223 O PHE A 16 0.891 8.406 -3.604 1.00 0.00 O ATOM 224 CB PHE A 16 2.907 6.273 -2.532 1.00 0.00 C ATOM 225 CG PHE A 16 3.747 6.483 -3.769 1.00 0.00 C ATOM 226 CD1 PHE A 16 5.072 6.919 -3.651 1.00 0.00 C ATOM 227 CD2 PHE A 16 3.199 6.241 -5.033 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.849 7.114 -4.800 1.00 0.00 C ATOM 229 CE2 PHE A 16 3.974 6.435 -6.180 1.00 0.00 C ATOM 230 CZ PHE A 16 5.300 6.871 -6.065 1.00 0.00 C ATOM 0 H PHE A 16 0.463 7.888 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 16 3.299 8.091 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.479 5.728 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.036 5.664 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.495 7.105 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.177 5.904 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.871 7.452 -4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 16 3.550 6.249 -7.156 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.899 7.020 -6.951 1.00 0.00 H new ATOM 240 N THR A 17 2.811 9.462 -3.531 1.00 0.00 N ATOM 241 CA THR A 17 2.383 10.360 -4.644 1.00 0.00 C ATOM 242 C THR A 17 2.896 9.791 -5.964 1.00 0.00 C ATOM 243 O THR A 17 3.783 8.964 -5.987 1.00 0.00 O ATOM 244 CB THR A 17 2.907 11.791 -4.441 1.00 0.00 C ATOM 245 OG1 THR A 17 3.564 12.228 -5.625 1.00 0.00 O ATOM 246 CG2 THR A 17 3.891 11.845 -3.269 1.00 0.00 C ATOM 0 H THR A 17 3.746 9.633 -3.162 1.00 0.00 H new ATOM 0 HA THR A 17 1.294 10.409 -4.658 1.00 0.00 H new ATOM 0 HB THR A 17 2.061 12.443 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.443 11.800 -5.688 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.250 12.866 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.389 11.521 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.735 11.186 -3.472 1.00 0.00 H new ATOM 254 N ASN A 18 2.324 10.204 -7.063 1.00 0.00 N ATOM 255 CA ASN A 18 2.755 9.653 -8.378 1.00 0.00 C ATOM 256 C ASN A 18 2.145 8.256 -8.531 1.00 0.00 C ATOM 257 O ASN A 18 2.488 7.505 -9.423 1.00 0.00 O ATOM 258 CB ASN A 18 4.281 9.560 -8.432 1.00 0.00 C ATOM 259 CG ASN A 18 4.894 10.813 -7.799 1.00 0.00 C ATOM 260 OD1 ASN A 18 5.387 10.769 -6.689 1.00 0.00 O ATOM 261 ND2 ASN A 18 4.884 11.935 -8.465 1.00 0.00 N ATOM 0 H ASN A 18 1.578 10.898 -7.106 1.00 0.00 H new ATOM 0 HA ASN A 18 2.420 10.304 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.620 8.670 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.613 9.462 -9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.290 12.776 -8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.470 11.971 -9.397 1.00 0.00 H new ATOM 268 N VAL A 19 1.239 7.912 -7.653 1.00 0.00 N ATOM 269 CA VAL A 19 0.583 6.577 -7.708 1.00 0.00 C ATOM 270 C VAL A 19 0.128 6.268 -9.135 1.00 0.00 C ATOM 271 O VAL A 19 0.094 7.130 -9.991 1.00 0.00 O ATOM 272 CB VAL A 19 -0.634 6.595 -6.781 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.378 5.263 -6.869 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.170 6.824 -5.341 1.00 0.00 C ATOM 0 H VAL A 19 0.923 8.511 -6.890 1.00 0.00 H new ATOM 0 HA VAL A 19 1.291 5.810 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.304 7.399 -7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.243 5.285 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.711 5.099 -7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.712 4.454 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.035 6.837 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.503 6.020 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.353 7.778 -5.275 1.00 0.00 H new ATOM 284 N TRP A 20 -0.230 5.039 -9.392 1.00 0.00 N ATOM 285 CA TRP A 20 -0.696 4.656 -10.752 1.00 0.00 C ATOM 286 C TRP A 20 -1.848 3.647 -10.617 1.00 0.00 C ATOM 287 O TRP A 20 -2.227 3.264 -9.527 1.00 0.00 O ATOM 288 CB TRP A 20 0.485 4.034 -11.536 1.00 0.00 C ATOM 289 CG TRP A 20 0.387 2.535 -11.540 1.00 0.00 C ATOM 290 CD1 TRP A 20 -0.276 1.806 -12.466 1.00 0.00 C ATOM 291 CD2 TRP A 20 0.945 1.579 -10.591 1.00 0.00 C ATOM 292 NE1 TRP A 20 -0.176 0.468 -12.141 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.574 0.274 -10.998 1.00 0.00 C ATOM 294 CE3 TRP A 20 1.727 1.714 -9.429 1.00 0.00 C ATOM 295 CZ2 TRP A 20 0.964 -0.855 -10.276 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.122 0.579 -8.702 1.00 0.00 C ATOM 297 CH2 TRP A 20 1.742 -0.703 -9.125 1.00 0.00 C ATOM 0 H TRP A 20 -0.219 4.279 -8.711 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.053 5.532 -11.294 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.485 4.406 -12.560 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.429 4.341 -11.086 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.799 2.206 -13.322 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.604 -0.285 -12.679 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.025 2.696 -9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.666 -1.840 -10.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.722 0.694 -7.812 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.050 -1.572 -8.562 1.00 0.00 H new ATOM 308 N LYS A 21 -2.379 3.192 -11.718 1.00 0.00 N ATOM 309 CA LYS A 21 -3.472 2.182 -11.660 1.00 0.00 C ATOM 310 C LYS A 21 -3.155 1.061 -12.647 1.00 0.00 C ATOM 311 O LYS A 21 -2.929 1.302 -13.817 1.00 0.00 O ATOM 312 CB LYS A 21 -4.805 2.817 -12.041 1.00 0.00 C ATOM 313 CG LYS A 21 -5.908 1.771 -11.878 1.00 0.00 C ATOM 314 CD LYS A 21 -6.445 1.362 -13.251 1.00 0.00 C ATOM 315 CE LYS A 21 -7.327 0.121 -13.101 1.00 0.00 C ATOM 316 NZ LYS A 21 -8.465 0.428 -12.189 1.00 0.00 N ATOM 0 H LYS A 21 -2.102 3.477 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.545 1.791 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.007 3.681 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.773 3.176 -13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.518 0.897 -11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.716 2.174 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.019 2.179 -13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.618 1.154 -13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.702 -0.192 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.742 -0.708 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.177 -0.327 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.118 0.491 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.895 1.335 -12.463 1.00 0.00 H new ATOM 330 N ASP A 22 -3.127 -0.163 -12.196 1.00 0.00 N ATOM 331 CA ASP A 22 -2.814 -1.276 -13.123 1.00 0.00 C ATOM 332 C ASP A 22 -4.074 -2.076 -13.433 1.00 0.00 C ATOM 333 O ASP A 22 -4.759 -2.557 -12.544 1.00 0.00 O ATOM 334 CB ASP A 22 -1.784 -2.203 -12.476 1.00 0.00 C ATOM 335 CG ASP A 22 -0.666 -2.500 -13.477 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.473 -1.696 -14.374 1.00 0.00 O ATOM 337 OD2 ASP A 22 -0.024 -3.526 -13.330 1.00 0.00 O ATOM 0 H ASP A 22 -3.307 -0.435 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.415 -0.860 -14.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.371 -1.737 -11.581 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.261 -3.131 -12.161 1.00 0.00 H new ATOM 342 N ASP A 23 -4.360 -2.251 -14.693 1.00 0.00 N ATOM 343 CA ASP A 23 -5.540 -3.062 -15.083 1.00 0.00 C ATOM 344 C ASP A 23 -5.110 -4.526 -15.023 1.00 0.00 C ATOM 345 O ASP A 23 -5.917 -5.430 -14.944 1.00 0.00 O ATOM 346 CB ASP A 23 -5.973 -2.703 -16.505 1.00 0.00 C ATOM 347 CG ASP A 23 -7.500 -2.670 -16.583 1.00 0.00 C ATOM 348 OD1 ASP A 23 -8.129 -3.294 -15.744 1.00 0.00 O ATOM 349 OD2 ASP A 23 -8.014 -2.020 -17.479 1.00 0.00 O ATOM 0 H ASP A 23 -3.824 -1.865 -15.470 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.382 -2.874 -14.417 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.563 -1.733 -16.787 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.578 -3.433 -17.212 1.00 0.00 H new ATOM 354 N LYS A 24 -3.820 -4.751 -15.035 1.00 0.00 N ATOM 355 CA LYS A 24 -3.286 -6.131 -14.951 1.00 0.00 C ATOM 356 C LYS A 24 -3.485 -6.617 -13.522 1.00 0.00 C ATOM 357 O LYS A 24 -4.078 -7.648 -13.272 1.00 0.00 O ATOM 358 CB LYS A 24 -1.792 -6.096 -15.268 1.00 0.00 C ATOM 359 CG LYS A 24 -1.594 -5.870 -16.767 1.00 0.00 C ATOM 360 CD LYS A 24 -1.338 -7.212 -17.455 1.00 0.00 C ATOM 361 CE LYS A 24 -1.175 -6.989 -18.959 1.00 0.00 C ATOM 362 NZ LYS A 24 -2.269 -7.692 -19.686 1.00 0.00 N ATOM 0 H LYS A 24 -3.110 -4.022 -15.101 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.793 -6.792 -15.654 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.308 -5.300 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.323 -7.032 -14.966 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.476 -5.393 -17.193 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.754 -5.196 -16.936 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.441 -7.678 -17.046 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.166 -7.894 -17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.200 -5.923 -19.184 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.206 -7.362 -19.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.159 -7.541 -20.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.224 -8.710 -19.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.188 -7.316 -19.377 1.00 0.00 H new ATOM 376 N THR A 25 -3.004 -5.854 -12.581 1.00 0.00 N ATOM 377 CA THR A 25 -3.173 -6.231 -11.155 1.00 0.00 C ATOM 378 C THR A 25 -4.622 -5.939 -10.762 1.00 0.00 C ATOM 379 O THR A 25 -5.160 -6.515 -9.838 1.00 0.00 O ATOM 380 CB THR A 25 -2.207 -5.414 -10.295 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.718 -4.100 -10.130 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.845 -5.345 -10.987 1.00 0.00 C ATOM 0 H THR A 25 -2.499 -4.982 -12.741 1.00 0.00 H new ATOM 0 HA THR A 25 -2.955 -7.288 -11.002 1.00 0.00 H new ATOM 0 HB THR A 25 -2.098 -5.888 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.757 -3.882 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.155 -4.763 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.452 -6.353 -11.118 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.956 -4.869 -11.962 1.00 0.00 H new ATOM 390 N LEU A 26 -5.261 -5.063 -11.495 1.00 0.00 N ATOM 391 CA LEU A 26 -6.691 -4.736 -11.222 1.00 0.00 C ATOM 392 C LEU A 26 -6.863 -4.077 -9.854 1.00 0.00 C ATOM 393 O LEU A 26 -7.391 -4.672 -8.935 1.00 0.00 O ATOM 394 CB LEU A 26 -7.512 -6.026 -11.269 1.00 0.00 C ATOM 395 CG LEU A 26 -7.953 -6.297 -12.708 1.00 0.00 C ATOM 396 CD1 LEU A 26 -8.836 -7.545 -12.741 1.00 0.00 C ATOM 397 CD2 LEU A 26 -8.744 -5.097 -13.235 1.00 0.00 C ATOM 0 H LEU A 26 -4.848 -4.556 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.035 -4.033 -11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.919 -6.861 -10.896 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.384 -5.939 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.075 -6.455 -13.335 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.152 -7.740 -13.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.273 -8.399 -12.366 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.714 -7.386 -12.115 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.058 -5.290 -14.261 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.623 -4.938 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.115 -4.207 -13.210 1.00 0.00 H new ATOM 409 N ASP A 27 -6.442 -2.848 -9.714 1.00 0.00 N ATOM 410 CA ASP A 27 -6.604 -2.148 -8.403 1.00 0.00 C ATOM 411 C ASP A 27 -5.684 -0.931 -8.349 1.00 0.00 C ATOM 412 O ASP A 27 -4.837 -0.750 -9.199 1.00 0.00 O ATOM 413 CB ASP A 27 -6.227 -3.105 -7.272 1.00 0.00 C ATOM 414 CG ASP A 27 -7.457 -3.398 -6.412 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.246 -4.239 -6.809 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.588 -2.775 -5.371 1.00 0.00 O ATOM 0 H ASP A 27 -5.994 -2.299 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.640 -1.827 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.831 -4.033 -7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.439 -2.667 -6.659 1.00 0.00 H new ATOM 421 N ARG A 28 -5.821 -0.103 -7.344 1.00 0.00 N ATOM 422 CA ARG A 28 -4.918 1.073 -7.241 1.00 0.00 C ATOM 423 C ARG A 28 -3.603 0.578 -6.651 1.00 0.00 C ATOM 424 O ARG A 28 -3.592 -0.322 -5.834 1.00 0.00 O ATOM 425 CB ARG A 28 -5.543 2.131 -6.326 1.00 0.00 C ATOM 426 CG ARG A 28 -4.796 3.459 -6.487 1.00 0.00 C ATOM 427 CD ARG A 28 -5.659 4.444 -7.283 1.00 0.00 C ATOM 428 NE ARG A 28 -7.000 4.565 -6.643 1.00 0.00 N ATOM 429 CZ ARG A 28 -7.848 5.462 -7.069 1.00 0.00 C ATOM 430 NH1 ARG A 28 -8.563 5.230 -8.136 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.981 6.594 -6.430 1.00 0.00 N ATOM 0 H ARG A 28 -6.513 -0.192 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.755 1.527 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.596 2.263 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.498 1.801 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.561 3.876 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.848 3.294 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.174 5.419 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.766 4.100 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.255 3.947 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.459 4.348 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.225 5.931 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.422 6.778 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.644 7.293 -6.764 1.00 0.00 H new ATOM 445 N TYR A 29 -2.488 1.114 -7.058 1.00 0.00 N ATOM 446 CA TYR A 29 -1.212 0.598 -6.497 1.00 0.00 C ATOM 447 C TYR A 29 -0.154 1.691 -6.429 1.00 0.00 C ATOM 448 O TYR A 29 -0.019 2.510 -7.318 1.00 0.00 O ATOM 449 CB TYR A 29 -0.704 -0.540 -7.378 1.00 0.00 C ATOM 450 CG TYR A 29 -1.615 -1.730 -7.224 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.404 -2.647 -6.190 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.676 -1.911 -8.115 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.255 -3.747 -6.045 1.00 0.00 C ATOM 454 CE2 TYR A 29 -3.528 -3.009 -7.972 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.319 -3.928 -6.936 1.00 0.00 C ATOM 456 OH TYR A 29 -4.161 -5.012 -6.793 1.00 0.00 O ATOM 0 H TYR A 29 -2.404 1.869 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.400 0.243 -5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.673 -0.223 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.314 -0.808 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.583 -2.506 -5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.837 -1.202 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.091 -4.456 -5.247 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.348 -3.149 -8.661 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.213 -5.263 -5.847 1.00 0.00 H new ATOM 466 N ALA A 30 0.616 1.679 -5.381 1.00 0.00 N ATOM 467 CA ALA A 30 1.702 2.676 -5.226 1.00 0.00 C ATOM 468 C ALA A 30 3.024 1.915 -5.166 1.00 0.00 C ATOM 469 O ALA A 30 3.300 1.211 -4.211 1.00 0.00 O ATOM 470 CB ALA A 30 1.496 3.469 -3.935 1.00 0.00 C ATOM 0 H ALA A 30 0.536 1.010 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 30 1.703 3.376 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.297 4.200 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.536 3.985 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.508 2.788 -3.084 1.00 0.00 H new ATOM 476 N ASN A 31 3.829 2.026 -6.188 1.00 0.00 N ATOM 477 CA ASN A 31 5.123 1.290 -6.202 1.00 0.00 C ATOM 478 C ASN A 31 6.074 1.903 -5.177 1.00 0.00 C ATOM 479 O ASN A 31 6.914 2.718 -5.504 1.00 0.00 O ATOM 480 CB ASN A 31 5.751 1.379 -7.594 1.00 0.00 C ATOM 481 CG ASN A 31 6.986 0.478 -7.652 1.00 0.00 C ATOM 482 OD1 ASN A 31 7.650 0.277 -6.657 1.00 0.00 O ATOM 483 ND2 ASN A 31 7.326 -0.077 -8.785 1.00 0.00 N ATOM 0 H ASN A 31 3.645 2.595 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 31 4.943 0.245 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.029 1.074 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.028 2.410 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.149 -0.678 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.769 0.091 -9.623 1.00 0.00 H new ATOM 490 N TYR A 32 5.958 1.510 -3.940 1.00 0.00 N ATOM 491 CA TYR A 32 6.864 2.064 -2.902 1.00 0.00 C ATOM 492 C TYR A 32 8.288 1.600 -3.208 1.00 0.00 C ATOM 493 O TYR A 32 8.491 0.638 -3.921 1.00 0.00 O ATOM 494 CB TYR A 32 6.435 1.551 -1.525 1.00 0.00 C ATOM 495 CG TYR A 32 6.921 2.501 -0.458 1.00 0.00 C ATOM 496 CD1 TYR A 32 6.568 3.856 -0.507 1.00 0.00 C ATOM 497 CD2 TYR A 32 7.726 2.026 0.583 1.00 0.00 C ATOM 498 CE1 TYR A 32 7.022 4.735 0.485 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.180 2.903 1.574 1.00 0.00 C ATOM 500 CZ TYR A 32 7.828 4.258 1.526 1.00 0.00 C ATOM 501 OH TYR A 32 8.276 5.122 2.504 1.00 0.00 O ATOM 0 H TYR A 32 5.275 0.830 -3.605 1.00 0.00 H new ATOM 0 HA TYR A 32 6.820 3.153 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.350 1.462 -1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.843 0.555 -1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.946 4.223 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.997 0.981 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.751 5.780 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.802 2.535 2.376 1.00 0.00 H new ATOM 0 HH TYR A 32 8.822 4.629 3.151 1.00 0.00 H new ATOM 511 N GLU A 33 9.274 2.270 -2.686 1.00 0.00 N ATOM 512 CA GLU A 33 10.675 1.851 -2.966 1.00 0.00 C ATOM 513 C GLU A 33 10.965 0.537 -2.243 1.00 0.00 C ATOM 514 O GLU A 33 11.486 0.523 -1.147 1.00 0.00 O ATOM 515 CB GLU A 33 11.644 2.929 -2.477 1.00 0.00 C ATOM 516 CG GLU A 33 11.506 4.179 -3.349 1.00 0.00 C ATOM 517 CD GLU A 33 11.084 5.366 -2.479 1.00 0.00 C ATOM 518 OE1 GLU A 33 10.670 5.134 -1.355 1.00 0.00 O ATOM 519 OE2 GLU A 33 11.184 6.486 -2.951 1.00 0.00 O ATOM 0 H GLU A 33 9.173 3.085 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 33 10.804 1.713 -4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.435 3.175 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.668 2.557 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.453 4.396 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.768 4.009 -4.133 1.00 0.00 H new ATOM 526 N GLY A 34 10.632 -0.568 -2.852 1.00 0.00 N ATOM 527 CA GLY A 34 10.891 -1.881 -2.201 1.00 0.00 C ATOM 528 C GLY A 34 9.607 -2.404 -1.555 1.00 0.00 C ATOM 529 O GLY A 34 9.644 -3.233 -0.669 1.00 0.00 O ATOM 0 H GLY A 34 10.192 -0.617 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.255 -2.597 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.671 -1.775 -1.447 1.00 0.00 H new ATOM 533 N CYS A 35 8.470 -1.933 -1.990 1.00 0.00 N ATOM 534 CA CYS A 35 7.193 -2.418 -1.391 1.00 0.00 C ATOM 535 C CYS A 35 6.013 -1.993 -2.268 1.00 0.00 C ATOM 536 O CYS A 35 5.934 -0.868 -2.713 1.00 0.00 O ATOM 537 CB CYS A 35 7.030 -1.821 0.008 1.00 0.00 C ATOM 538 SG CYS A 35 7.301 -3.110 1.248 1.00 0.00 S ATOM 0 H CYS A 35 8.370 -1.238 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 35 7.216 -3.506 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.740 -1.007 0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.032 -1.397 0.120 1.00 0.00 H new ATOM 543 N LEU A 36 5.101 -2.892 -2.528 1.00 0.00 N ATOM 544 CA LEU A 36 3.934 -2.540 -3.386 1.00 0.00 C ATOM 545 C LEU A 36 2.654 -2.496 -2.561 1.00 0.00 C ATOM 546 O LEU A 36 2.199 -3.510 -2.064 1.00 0.00 O ATOM 547 CB LEU A 36 3.763 -3.600 -4.472 1.00 0.00 C ATOM 548 CG LEU A 36 2.640 -3.218 -5.459 1.00 0.00 C ATOM 549 CD1 LEU A 36 1.337 -3.897 -5.035 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.434 -1.697 -5.497 1.00 0.00 C ATOM 0 H LEU A 36 5.114 -3.852 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 36 4.118 -1.560 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.701 -3.722 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.534 -4.561 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 36 2.929 -3.552 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.543 -3.628 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.472 -4.979 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.066 -3.569 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.637 -1.455 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.161 -1.342 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.357 -1.213 -5.814 1.00 0.00 H new ATOM 562 N TRP A 37 2.055 -1.336 -2.449 1.00 0.00 N ATOM 563 CA TRP A 37 0.776 -1.221 -1.689 1.00 0.00 C ATOM 564 C TRP A 37 -0.380 -1.153 -2.694 1.00 0.00 C ATOM 565 O TRP A 37 -0.165 -1.075 -3.887 1.00 0.00 O ATOM 566 CB TRP A 37 0.777 0.057 -0.844 1.00 0.00 C ATOM 567 CG TRP A 37 2.043 0.172 -0.063 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.274 0.353 -0.591 1.00 0.00 C ATOM 569 CD2 TRP A 37 2.219 0.135 1.384 1.00 0.00 C ATOM 570 NE1 TRP A 37 4.194 0.431 0.437 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.592 0.303 1.675 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.326 -0.027 2.464 1.00 0.00 C ATOM 573 CZ2 TRP A 37 4.064 0.313 2.987 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.798 -0.019 3.782 1.00 0.00 C ATOM 575 CH2 TRP A 37 3.164 0.152 4.045 1.00 0.00 C ATOM 0 H TRP A 37 2.398 -0.464 -2.852 1.00 0.00 H new ATOM 0 HA TRP A 37 0.664 -2.082 -1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.663 0.927 -1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.076 0.051 -0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.501 0.425 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.196 0.567 0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.271 -0.158 2.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.118 0.444 3.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.105 -0.145 4.601 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.521 0.159 5.064 1.00 0.00 H new ATOM 586 N ASN A 38 -1.605 -1.172 -2.232 1.00 0.00 N ATOM 587 CA ASN A 38 -2.753 -1.098 -3.187 1.00 0.00 C ATOM 588 C ASN A 38 -3.946 -0.401 -2.526 1.00 0.00 C ATOM 589 O ASN A 38 -4.308 -0.694 -1.400 1.00 0.00 O ATOM 590 CB ASN A 38 -3.164 -2.509 -3.621 1.00 0.00 C ATOM 591 CG ASN A 38 -4.047 -3.149 -2.543 1.00 0.00 C ATOM 592 OD1 ASN A 38 -3.556 -3.705 -1.582 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.344 -3.079 -2.667 1.00 0.00 N ATOM 0 H ASN A 38 -1.859 -1.235 -1.246 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.443 -0.526 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.704 -2.465 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.277 -3.121 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.947 -3.492 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.755 -2.611 -3.475 1.00 0.00 H new ATOM 600 N ALA A 39 -4.567 0.505 -3.230 1.00 0.00 N ATOM 601 CA ALA A 39 -5.742 1.219 -2.664 1.00 0.00 C ATOM 602 C ALA A 39 -7.028 0.567 -3.173 1.00 0.00 C ATOM 603 O ALA A 39 -7.161 0.247 -4.345 1.00 0.00 O ATOM 604 CB ALA A 39 -5.710 2.687 -3.093 1.00 0.00 C ATOM 0 H ALA A 39 -4.308 0.781 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.709 1.161 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.573 3.207 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.795 3.153 -2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.740 2.749 -4.181 1.00 0.00 H new ATOM 610 N THR A 40 -7.973 0.368 -2.292 1.00 0.00 N ATOM 611 CA THR A 40 -9.264 -0.264 -2.696 1.00 0.00 C ATOM 612 C THR A 40 -9.991 0.642 -3.694 1.00 0.00 C ATOM 613 O THR A 40 -9.872 0.479 -4.892 1.00 0.00 O ATOM 614 CB THR A 40 -10.157 -0.489 -1.463 1.00 0.00 C ATOM 615 OG1 THR A 40 -11.520 -0.394 -1.850 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.863 0.561 -0.387 1.00 0.00 C ATOM 0 H THR A 40 -7.906 0.617 -1.305 1.00 0.00 H new ATOM 0 HA THR A 40 -9.053 -1.227 -3.162 1.00 0.00 H new ATOM 0 HB THR A 40 -9.950 -1.478 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.093 -0.538 -1.068 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.504 0.386 0.477 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.818 0.489 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.057 1.556 -0.787 1.00 0.00 H new ATOM 624 N GLY A 41 -10.745 1.593 -3.215 1.00 0.00 N ATOM 625 CA GLY A 41 -11.475 2.500 -4.147 1.00 0.00 C ATOM 626 C GLY A 41 -11.581 3.898 -3.536 1.00 0.00 C ATOM 627 O GLY A 41 -11.238 4.884 -4.157 1.00 0.00 O ATOM 0 H GLY A 41 -10.887 1.781 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.953 2.550 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.471 2.105 -4.348 1.00 0.00 H new ATOM 631 N VAL A 42 -12.055 3.995 -2.324 1.00 0.00 N ATOM 632 CA VAL A 42 -12.184 5.332 -1.681 1.00 0.00 C ATOM 633 C VAL A 42 -10.801 5.844 -1.275 1.00 0.00 C ATOM 634 O VAL A 42 -10.221 5.392 -0.308 1.00 0.00 O ATOM 635 CB VAL A 42 -13.066 5.218 -0.440 1.00 0.00 C ATOM 636 CG1 VAL A 42 -13.217 6.598 0.206 1.00 0.00 C ATOM 637 CG2 VAL A 42 -14.445 4.690 -0.843 1.00 0.00 C ATOM 0 H VAL A 42 -12.358 3.207 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.635 6.029 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.607 4.532 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.847 6.518 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.235 6.976 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.677 7.284 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.076 4.608 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.904 5.377 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.338 3.708 -1.305 1.00 0.00 H new ATOM 647 N VAL A 43 -10.268 6.785 -2.005 1.00 0.00 N ATOM 648 CA VAL A 43 -8.924 7.326 -1.660 1.00 0.00 C ATOM 649 C VAL A 43 -8.887 8.829 -1.950 1.00 0.00 C ATOM 650 O VAL A 43 -9.793 9.378 -2.545 1.00 0.00 O ATOM 651 CB VAL A 43 -7.861 6.613 -2.497 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.494 6.761 -1.825 1.00 0.00 C ATOM 653 CG2 VAL A 43 -8.215 5.128 -2.604 1.00 0.00 C ATOM 0 H VAL A 43 -10.706 7.203 -2.826 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.724 7.160 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.825 7.056 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.738 6.252 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.241 7.818 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.528 6.318 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.460 4.616 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.249 4.689 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.189 5.020 -3.082 1.00 0.00 H new ATOM 663 N VAL A 44 -7.847 9.501 -1.530 1.00 0.00 N ATOM 664 CA VAL A 44 -7.754 10.966 -1.778 1.00 0.00 C ATOM 665 C VAL A 44 -6.695 11.229 -2.851 1.00 0.00 C ATOM 666 O VAL A 44 -5.513 11.097 -2.617 1.00 0.00 O ATOM 667 CB VAL A 44 -7.388 11.664 -0.461 1.00 0.00 C ATOM 668 CG1 VAL A 44 -5.884 11.585 -0.200 1.00 0.00 C ATOM 669 CG2 VAL A 44 -7.822 13.128 -0.520 1.00 0.00 C ATOM 0 H VAL A 44 -7.058 9.096 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.707 11.358 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.906 11.157 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.651 12.087 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.580 10.540 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.347 12.072 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.562 13.623 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.314 13.625 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.900 13.182 -0.671 1.00 0.00 H new ATOM 679 N CYS A 45 -7.107 11.572 -4.042 1.00 0.00 N ATOM 680 CA CYS A 45 -6.112 11.805 -5.129 1.00 0.00 C ATOM 681 C CYS A 45 -6.088 13.282 -5.529 1.00 0.00 C ATOM 682 O CYS A 45 -7.105 13.944 -5.577 1.00 0.00 O ATOM 683 CB CYS A 45 -6.485 10.943 -6.339 1.00 0.00 C ATOM 684 SG CYS A 45 -5.530 9.409 -6.282 1.00 0.00 S ATOM 0 H CYS A 45 -8.083 11.700 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.119 11.532 -4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.553 10.723 -6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.278 11.482 -7.264 1.00 0.00 H new ATOM 689 N THR A 46 -4.922 13.799 -5.819 1.00 0.00 N ATOM 690 CA THR A 46 -4.804 15.228 -6.220 1.00 0.00 C ATOM 691 C THR A 46 -3.792 15.350 -7.368 1.00 0.00 C ATOM 692 O THR A 46 -3.042 14.428 -7.652 1.00 0.00 O ATOM 693 CB THR A 46 -4.321 16.051 -5.023 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.372 17.434 -5.347 1.00 0.00 O ATOM 695 CG2 THR A 46 -2.884 15.659 -4.679 1.00 0.00 C ATOM 0 H THR A 46 -4.041 13.286 -5.794 1.00 0.00 H new ATOM 0 HA THR A 46 -5.775 15.599 -6.549 1.00 0.00 H new ATOM 0 HB THR A 46 -4.964 15.855 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.064 17.961 -4.580 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.541 16.245 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.846 14.599 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.239 15.853 -5.536 1.00 0.00 H new ATOM 703 N GLY A 47 -3.772 16.481 -8.029 1.00 0.00 N ATOM 704 CA GLY A 47 -2.820 16.673 -9.163 1.00 0.00 C ATOM 705 C GLY A 47 -3.058 15.580 -10.200 1.00 0.00 C ATOM 706 O GLY A 47 -2.305 14.635 -10.296 1.00 0.00 O ATOM 0 H GLY A 47 -4.375 17.279 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.962 17.656 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.792 16.633 -8.803 1.00 0.00 H new ATOM 710 N ASP A 48 -4.115 15.688 -10.961 1.00 0.00 N ATOM 711 CA ASP A 48 -4.414 14.633 -11.973 1.00 0.00 C ATOM 712 C ASP A 48 -4.668 13.315 -11.244 1.00 0.00 C ATOM 713 O ASP A 48 -4.701 12.255 -11.837 1.00 0.00 O ATOM 714 CB ASP A 48 -3.223 14.461 -12.910 1.00 0.00 C ATOM 715 CG ASP A 48 -3.368 15.408 -14.103 1.00 0.00 C ATOM 716 OD1 ASP A 48 -3.584 16.586 -13.876 1.00 0.00 O ATOM 717 OD2 ASP A 48 -3.263 14.938 -15.225 1.00 0.00 O ATOM 0 H ASP A 48 -4.782 16.459 -10.926 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.290 14.922 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.295 14.670 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.166 13.429 -13.257 1.00 0.00 H new ATOM 722 N GLU A 49 -4.844 13.381 -9.954 1.00 0.00 N ATOM 723 CA GLU A 49 -5.092 12.156 -9.156 1.00 0.00 C ATOM 724 C GLU A 49 -3.873 11.234 -9.211 1.00 0.00 C ATOM 725 O GLU A 49 -3.929 10.094 -8.794 1.00 0.00 O ATOM 726 CB GLU A 49 -6.322 11.419 -9.692 1.00 0.00 C ATOM 727 CG GLU A 49 -7.579 12.233 -9.373 1.00 0.00 C ATOM 728 CD GLU A 49 -7.622 13.473 -10.265 1.00 0.00 C ATOM 729 OE1 GLU A 49 -7.843 13.317 -11.454 1.00 0.00 O ATOM 730 OE2 GLU A 49 -7.433 14.560 -9.744 1.00 0.00 O ATOM 0 H GLU A 49 -4.826 14.246 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.272 12.445 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.233 11.274 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.392 10.429 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.469 11.625 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.579 12.527 -8.323 1.00 0.00 H new ATOM 737 N THR A 50 -2.771 11.718 -9.706 1.00 0.00 N ATOM 738 CA THR A 50 -1.553 10.867 -9.767 1.00 0.00 C ATOM 739 C THR A 50 -1.033 10.647 -8.348 1.00 0.00 C ATOM 740 O THR A 50 -0.395 9.656 -8.059 1.00 0.00 O ATOM 741 CB THR A 50 -0.479 11.567 -10.601 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.702 12.969 -10.576 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.540 11.066 -12.043 1.00 0.00 C ATOM 0 H THR A 50 -2.661 12.664 -10.070 1.00 0.00 H new ATOM 0 HA THR A 50 -1.795 9.909 -10.227 1.00 0.00 H new ATOM 0 HB THR A 50 0.504 11.346 -10.185 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.578 13.304 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.226 11.567 -12.635 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.368 9.990 -12.062 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.522 11.284 -12.463 1.00 0.00 H new ATOM 751 N GLN A 51 -1.308 11.560 -7.455 1.00 0.00 N ATOM 752 CA GLN A 51 -0.834 11.391 -6.055 1.00 0.00 C ATOM 753 C GLN A 51 -2.025 11.006 -5.183 1.00 0.00 C ATOM 754 O GLN A 51 -3.122 11.481 -5.387 1.00 0.00 O ATOM 755 CB GLN A 51 -0.242 12.711 -5.557 1.00 0.00 C ATOM 756 CG GLN A 51 0.788 13.222 -6.567 1.00 0.00 C ATOM 757 CD GLN A 51 0.455 14.666 -6.951 1.00 0.00 C ATOM 758 OE1 GLN A 51 -0.079 14.916 -8.013 1.00 0.00 O ATOM 759 NE2 GLN A 51 0.752 15.633 -6.126 1.00 0.00 N ATOM 0 H GLN A 51 -1.839 12.412 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.070 10.615 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.033 13.449 -5.423 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.228 12.567 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.789 13.170 -6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.787 12.589 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.200 15.423 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.536 16.599 -6.373 1.00 0.00 H new ATOM 768 N CYS A 52 -1.845 10.150 -4.217 1.00 0.00 N ATOM 769 CA CYS A 52 -3.014 9.781 -3.376 1.00 0.00 C ATOM 770 C CYS A 52 -2.578 9.421 -1.953 1.00 0.00 C ATOM 771 O CYS A 52 -1.411 9.206 -1.672 1.00 0.00 O ATOM 772 CB CYS A 52 -3.735 8.573 -3.983 1.00 0.00 C ATOM 773 SG CYS A 52 -5.467 8.971 -4.315 1.00 0.00 S ATOM 0 H CYS A 52 -0.962 9.700 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.681 10.642 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.241 8.274 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.675 7.725 -3.300 1.00 0.00 H new ATOM 778 N TYR A 53 -3.531 9.322 -1.064 1.00 0.00 N ATOM 779 CA TYR A 53 -3.221 8.943 0.343 1.00 0.00 C ATOM 780 C TYR A 53 -4.435 8.224 0.941 1.00 0.00 C ATOM 781 O TYR A 53 -5.558 8.431 0.528 1.00 0.00 O ATOM 782 CB TYR A 53 -2.875 10.197 1.173 1.00 0.00 C ATOM 783 CG TYR A 53 -3.260 9.994 2.630 1.00 0.00 C ATOM 784 CD1 TYR A 53 -2.437 9.244 3.486 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.449 10.549 3.117 1.00 0.00 C ATOM 786 CE1 TYR A 53 -2.806 9.052 4.825 1.00 0.00 C ATOM 787 CE2 TYR A 53 -4.817 10.356 4.455 1.00 0.00 C ATOM 788 CZ TYR A 53 -3.997 9.608 5.308 1.00 0.00 C ATOM 789 OH TYR A 53 -4.361 9.419 6.626 1.00 0.00 O ATOM 0 H TYR A 53 -4.519 9.489 -1.256 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.358 8.278 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.808 10.407 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.399 11.063 0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.519 8.815 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.083 11.127 2.461 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.172 8.476 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.735 10.785 4.829 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.213 9.871 6.798 1.00 0.00 H new ATOM 799 N GLY A 54 -4.213 7.382 1.913 1.00 0.00 N ATOM 800 CA GLY A 54 -5.351 6.651 2.534 1.00 0.00 C ATOM 801 C GLY A 54 -4.896 5.247 2.924 1.00 0.00 C ATOM 802 O GLY A 54 -3.925 5.074 3.634 1.00 0.00 O ATOM 0 H GLY A 54 -3.295 7.170 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.707 7.188 3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.186 6.594 1.836 1.00 0.00 H new ATOM 806 N THR A 55 -5.586 4.241 2.461 1.00 0.00 N ATOM 807 CA THR A 55 -5.187 2.848 2.802 1.00 0.00 C ATOM 808 C THR A 55 -4.676 2.142 1.551 1.00 0.00 C ATOM 809 O THR A 55 -5.356 2.037 0.549 1.00 0.00 O ATOM 810 CB THR A 55 -6.392 2.079 3.346 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.532 2.361 2.547 1.00 0.00 O ATOM 812 CG2 THR A 55 -6.660 2.501 4.786 1.00 0.00 C ATOM 0 H THR A 55 -6.408 4.324 1.862 1.00 0.00 H new ATOM 0 HA THR A 55 -4.402 2.881 3.558 1.00 0.00 H new ATOM 0 HB THR A 55 -6.184 1.009 3.317 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.278 2.352 1.600 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.519 1.952 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.785 2.283 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.868 3.570 4.819 1.00 0.00 H new ATOM 820 N TRP A 56 -3.483 1.645 1.623 1.00 0.00 N ATOM 821 CA TRP A 56 -2.881 0.920 0.481 1.00 0.00 C ATOM 822 C TRP A 56 -2.476 -0.490 0.932 1.00 0.00 C ATOM 823 O TRP A 56 -1.319 -0.750 1.164 1.00 0.00 O ATOM 824 CB TRP A 56 -1.630 1.662 0.082 1.00 0.00 C ATOM 825 CG TRP A 56 -1.954 3.096 -0.132 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.267 3.978 0.844 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.004 3.830 -1.383 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.507 5.210 0.268 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.355 5.168 -1.103 1.00 0.00 C ATOM 830 CE3 TRP A 56 -1.781 3.466 -2.721 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.479 6.114 -2.115 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -1.904 4.415 -3.745 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.253 5.738 -3.443 1.00 0.00 C ATOM 0 H TRP A 56 -2.884 1.712 2.446 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.589 0.855 -0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -0.871 1.561 0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.214 1.232 -0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.320 3.756 1.900 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.765 6.047 0.791 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.513 2.448 -2.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.748 7.132 -1.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.729 4.125 -4.771 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.347 6.466 -4.235 1.00 0.00 H new ATOM 844 N VAL A 57 -3.398 -1.387 1.108 1.00 0.00 N ATOM 845 CA VAL A 57 -3.008 -2.751 1.594 1.00 0.00 C ATOM 846 C VAL A 57 -1.726 -3.217 0.881 1.00 0.00 C ATOM 847 O VAL A 57 -1.614 -3.098 -0.322 1.00 0.00 O ATOM 848 CB VAL A 57 -4.144 -3.740 1.315 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.632 -5.172 1.476 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.283 -3.496 2.307 1.00 0.00 C ATOM 0 H VAL A 57 -4.395 -1.247 0.942 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.821 -2.708 2.667 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.505 -3.597 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.443 -5.873 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.818 -5.349 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.269 -5.316 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.093 -4.198 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.917 -3.639 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.652 -2.476 2.194 1.00 0.00 H new ATOM 860 N PRO A 58 -0.792 -3.731 1.653 1.00 0.00 N ATOM 861 CA PRO A 58 0.498 -4.220 1.130 1.00 0.00 C ATOM 862 C PRO A 58 0.323 -5.600 0.488 1.00 0.00 C ATOM 863 O PRO A 58 -0.155 -6.529 1.109 1.00 0.00 O ATOM 864 CB PRO A 58 1.394 -4.282 2.376 1.00 0.00 C ATOM 865 CG PRO A 58 0.447 -4.358 3.597 1.00 0.00 C ATOM 866 CD PRO A 58 -0.936 -3.874 3.116 1.00 0.00 C ATOM 0 HA PRO A 58 0.920 -3.584 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.049 -5.152 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.035 -3.402 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.389 -5.377 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.814 -3.733 4.411 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.717 -4.591 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.209 -2.927 3.582 1.00 0.00 H new ATOM 874 N ILE A 59 0.693 -5.733 -0.758 1.00 0.00 N ATOM 875 CA ILE A 59 0.533 -7.042 -1.453 1.00 0.00 C ATOM 876 C ILE A 59 1.898 -7.636 -1.799 1.00 0.00 C ATOM 877 O ILE A 59 2.100 -8.828 -1.673 1.00 0.00 O ATOM 878 CB ILE A 59 -0.265 -6.866 -2.752 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.231 -5.398 -3.200 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.716 -7.303 -2.525 1.00 0.00 C ATOM 881 CD1 ILE A 59 -1.222 -4.586 -2.369 1.00 0.00 C ATOM 0 H ILE A 59 1.100 -4.989 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.000 -7.713 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 59 0.184 -7.483 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.775 -4.994 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.482 -5.324 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.282 -7.178 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.738 -8.351 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.162 -6.692 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.197 -3.544 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.227 -4.984 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.951 -4.649 -1.315 1.00 0.00 H new ATOM 893 N GLY A 60 2.839 -6.846 -2.257 1.00 0.00 N ATOM 894 CA GLY A 60 4.153 -7.462 -2.614 1.00 0.00 C ATOM 895 C GLY A 60 5.308 -6.472 -2.471 1.00 0.00 C ATOM 896 O GLY A 60 5.440 -5.794 -1.474 1.00 0.00 O ATOM 0 H GLY A 60 2.760 -5.838 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.334 -8.325 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.115 -7.828 -3.640 1.00 0.00 H new ATOM 900 N LEU A 61 6.176 -6.421 -3.450 1.00 0.00 N ATOM 901 CA LEU A 61 7.355 -5.516 -3.351 1.00 0.00 C ATOM 902 C LEU A 61 7.207 -4.279 -4.248 1.00 0.00 C ATOM 903 O LEU A 61 7.614 -3.198 -3.872 1.00 0.00 O ATOM 904 CB LEU A 61 8.612 -6.285 -3.764 1.00 0.00 C ATOM 905 CG LEU A 61 8.569 -7.701 -3.183 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.891 -8.411 -3.477 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.359 -7.627 -1.669 1.00 0.00 C ATOM 0 H LEU A 61 6.117 -6.966 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 61 7.430 -5.175 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.681 -6.330 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.501 -5.764 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 61 7.747 -8.255 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.862 -9.419 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.043 -8.465 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.711 -7.856 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.328 -8.635 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.181 -7.073 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.418 -7.119 -1.457 1.00 0.00 H new ATOM 919 N ALA A 62 6.662 -4.401 -5.432 1.00 0.00 N ATOM 920 CA ALA A 62 6.557 -3.180 -6.292 1.00 0.00 C ATOM 921 C ALA A 62 5.263 -3.163 -7.125 1.00 0.00 C ATOM 922 O ALA A 62 4.457 -2.267 -6.979 1.00 0.00 O ATOM 923 CB ALA A 62 7.769 -3.113 -7.211 1.00 0.00 C ATOM 0 H ALA A 62 6.295 -5.264 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 62 6.528 -2.308 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.700 -2.226 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.678 -3.062 -6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.798 -4.003 -7.840 1.00 0.00 H new ATOM 929 N ILE A 63 5.048 -4.107 -8.009 1.00 0.00 N ATOM 930 CA ILE A 63 3.789 -4.053 -8.818 1.00 0.00 C ATOM 931 C ILE A 63 3.028 -5.401 -8.883 1.00 0.00 C ATOM 932 O ILE A 63 2.321 -5.624 -9.846 1.00 0.00 O ATOM 933 CB ILE A 63 4.128 -3.624 -10.245 1.00 0.00 C ATOM 934 CG1 ILE A 63 2.833 -3.303 -10.996 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.861 -4.760 -10.964 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.023 -2.032 -11.824 1.00 0.00 C ATOM 0 H ILE A 63 5.670 -4.892 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 63 3.135 -3.337 -8.320 1.00 0.00 H new ATOM 0 HB ILE A 63 4.767 -2.742 -10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.561 -4.135 -11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.014 -3.170 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.101 -4.451 -11.981 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.781 -4.995 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.223 -5.643 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.101 -1.804 -12.358 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.274 -1.202 -11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.830 -2.182 -12.541 1.00 0.00 H new ATOM 948 N PRO A 64 3.142 -6.256 -7.886 1.00 0.00 N ATOM 949 CA PRO A 64 2.408 -7.537 -7.892 1.00 0.00 C ATOM 950 C PRO A 64 0.941 -7.305 -7.517 1.00 0.00 C ATOM 951 O PRO A 64 0.632 -6.525 -6.639 1.00 0.00 O ATOM 952 CB PRO A 64 3.102 -8.364 -6.810 1.00 0.00 C ATOM 953 CG PRO A 64 3.777 -7.345 -5.869 1.00 0.00 C ATOM 954 CD PRO A 64 3.985 -6.062 -6.689 1.00 0.00 C ATOM 0 HA PRO A 64 2.415 -8.024 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.384 -8.980 -6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.837 -9.040 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.153 -7.151 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.729 -7.728 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.683 -5.178 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.033 -5.926 -6.958 1.00 0.00 H new ATOM 962 N GLU A 65 0.036 -7.978 -8.173 1.00 0.00 N ATOM 963 CA GLU A 65 -1.408 -7.795 -7.848 1.00 0.00 C ATOM 964 C GLU A 65 -1.725 -8.488 -6.518 1.00 0.00 C ATOM 965 O GLU A 65 -0.839 -8.883 -5.788 1.00 0.00 O ATOM 966 CB GLU A 65 -2.267 -8.397 -8.971 1.00 0.00 C ATOM 967 CG GLU A 65 -2.369 -9.917 -8.799 1.00 0.00 C ATOM 968 CD GLU A 65 -2.545 -10.575 -10.168 1.00 0.00 C ATOM 969 OE1 GLU A 65 -1.562 -10.681 -10.884 1.00 0.00 O ATOM 970 OE2 GLU A 65 -3.660 -10.960 -10.479 1.00 0.00 O ATOM 0 H GLU A 65 0.233 -8.646 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.631 -6.732 -7.759 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.263 -7.954 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.829 -8.162 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.472 -10.300 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.212 -10.165 -8.154 1.00 0.00 H new