USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -8.39! C(o=-14!,f=-17!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -5.34! C(o=-14!,f=-23!) USER MOD Set 2.1: A 7 TYR OH : rot 113:sc= 1.41 USER MOD Set 2.2: A 37 MET CE :methyl 159:sc=-7.18e-05 (180deg=-1.38) USER MOD Set 3.1: A 5 TYR OH : rot 30:sc= 1.01 USER MOD Set 3.2: A 54 LYS NZ :NH3+ 136:sc= 1.14 (180deg=0) USER MOD Single : A 1 MET CE :methyl -146:sc= -0.289 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ -159:sc= -4.64! (180deg=-6.17!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 57:sc= 1.19 USER MOD Single : A 10 ASN : amide:sc= 0.00684 X(o=0.0068,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 137:sc= 0.432 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0537) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.93!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc=-0.00154 (180deg=-0.169) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.864 -3.189 11.769 1.00 0.00 N ATOM 2 CA MET A 1 2.663 -3.110 10.893 1.00 0.00 C ATOM 3 C MET A 1 2.883 -2.226 9.678 1.00 0.00 C ATOM 4 O MET A 1 2.927 -1.003 9.782 1.00 0.00 O ATOM 5 CB MET A 1 1.498 -2.573 11.716 1.00 0.00 C ATOM 6 CG MET A 1 0.142 -2.763 11.060 1.00 0.00 C ATOM 7 SD MET A 1 -1.212 -2.157 12.083 1.00 0.00 S ATOM 8 CE MET A 1 -0.941 -3.084 13.592 1.00 0.00 C ATOM 0 H1 MET A 1 3.807 -4.043 12.360 1.00 0.00 H new ATOM 0 H2 MET A 1 4.721 -3.232 11.181 1.00 0.00 H new ATOM 0 H3 MET A 1 3.905 -2.348 12.379 1.00 0.00 H new ATOM 0 HA MET A 1 2.450 -4.112 10.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.493 -3.068 12.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.656 -1.510 11.901 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.130 -2.243 10.102 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.011 -3.822 10.850 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.901 -3.316 14.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.417 -4.011 13.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.341 -2.490 14.281 1.00 0.00 H new ATOM 20 N PHE A 2 2.984 -2.856 8.519 1.00 0.00 N ATOM 21 CA PHE A 2 3.172 -2.128 7.276 1.00 0.00 C ATOM 22 C PHE A 2 1.845 -1.557 6.794 1.00 0.00 C ATOM 23 O PHE A 2 0.788 -2.140 7.027 1.00 0.00 O ATOM 24 CB PHE A 2 3.783 -3.042 6.218 1.00 0.00 C ATOM 25 CG PHE A 2 5.181 -3.465 6.553 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.410 -4.522 7.417 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.268 -2.798 6.014 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.697 -4.908 7.737 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.557 -3.180 6.328 1.00 0.00 C ATOM 30 CZ PHE A 2 7.772 -4.236 7.191 1.00 0.00 C ATOM 0 H PHE A 2 2.939 -3.870 8.414 1.00 0.00 H new ATOM 0 HA PHE A 2 3.858 -1.299 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.158 -3.928 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.784 -2.528 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.572 -5.051 7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.106 -1.970 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.862 -5.734 8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.396 -2.653 5.899 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.780 -4.536 7.438 1.00 0.00 H new ATOM 40 N LYS A 3 1.903 -0.404 6.142 1.00 0.00 N ATOM 41 CA LYS A 3 0.701 0.249 5.649 1.00 0.00 C ATOM 42 C LYS A 3 0.621 0.182 4.133 1.00 0.00 C ATOM 43 O LYS A 3 1.504 0.677 3.435 1.00 0.00 O ATOM 44 CB LYS A 3 0.677 1.707 6.105 1.00 0.00 C ATOM 45 CG LYS A 3 0.082 1.905 7.488 1.00 0.00 C ATOM 46 CD LYS A 3 1.118 1.668 8.577 1.00 0.00 C ATOM 47 CE LYS A 3 0.732 2.356 9.877 1.00 0.00 C ATOM 48 NZ LYS A 3 1.690 3.437 10.238 1.00 0.00 N ATOM 0 H LYS A 3 2.769 0.097 5.943 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.162 -0.276 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.695 2.097 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.105 2.294 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.314 2.917 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.756 1.222 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.226 0.597 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.088 2.037 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.270 2.775 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.695 1.620 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.392 3.881 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.642 3.033 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.707 4.152 9.483 1.00 0.00 H new ATOM 62 N VAL A 4 -0.440 -0.428 3.620 1.00 0.00 N ATOM 63 CA VAL A 4 -0.609 -0.534 2.176 1.00 0.00 C ATOM 64 C VAL A 4 -1.783 0.293 1.678 1.00 0.00 C ATOM 65 O VAL A 4 -2.924 0.102 2.098 1.00 0.00 O ATOM 66 CB VAL A 4 -0.808 -1.988 1.706 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.243 -2.025 0.249 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.466 -2.778 1.876 1.00 0.00 C ATOM 0 H VAL A 4 -1.186 -0.851 4.172 1.00 0.00 H new ATOM 0 HA VAL A 4 0.319 -0.148 1.753 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.589 -2.437 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.378 -3.060 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.184 -1.486 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.479 -1.555 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.307 -3.802 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.259 -2.321 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.754 -2.783 2.927 1.00 0.00 H new ATOM 78 N TYR A 5 -1.490 1.183 0.743 1.00 0.00 N ATOM 79 CA TYR A 5 -2.507 2.015 0.139 1.00 0.00 C ATOM 80 C TYR A 5 -2.890 1.427 -1.208 1.00 0.00 C ATOM 81 O TYR A 5 -2.180 1.605 -2.195 1.00 0.00 O ATOM 82 CB TYR A 5 -1.999 3.447 -0.039 1.00 0.00 C ATOM 83 CG TYR A 5 -1.833 4.197 1.260 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.782 4.094 2.267 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.725 5.006 1.482 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.638 4.779 3.456 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.573 5.691 2.672 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.532 5.576 3.653 1.00 0.00 C ATOM 89 OH TYR A 5 -1.383 6.257 4.839 1.00 0.00 O ATOM 0 H TYR A 5 -0.548 1.345 0.387 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.380 2.044 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.041 3.421 -0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.694 3.993 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.648 3.467 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.028 5.100 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.388 4.691 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.294 6.314 2.832 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.811 5.753 5.562 1.00 0.00 H new ATOM 99 N GLY A 6 -3.999 0.704 -1.238 1.00 0.00 N ATOM 100 CA GLY A 6 -4.435 0.090 -2.466 1.00 0.00 C ATOM 101 C GLY A 6 -5.910 -0.223 -2.458 1.00 0.00 C ATOM 102 O GLY A 6 -6.718 0.557 -1.952 1.00 0.00 O ATOM 0 H GLY A 6 -4.602 0.534 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.211 0.754 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.872 -0.829 -2.630 1.00 0.00 H new ATOM 106 N TYR A 7 -6.266 -1.357 -3.033 1.00 0.00 N ATOM 107 CA TYR A 7 -7.649 -1.769 -3.112 1.00 0.00 C ATOM 108 C TYR A 7 -7.866 -3.120 -2.441 1.00 0.00 C ATOM 109 O TYR A 7 -6.923 -3.890 -2.257 1.00 0.00 O ATOM 110 CB TYR A 7 -8.047 -1.825 -4.575 1.00 0.00 C ATOM 111 CG TYR A 7 -7.737 -0.535 -5.293 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.518 0.591 -5.087 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.648 -0.436 -6.148 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.228 1.783 -5.719 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.347 0.754 -6.783 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.140 1.864 -6.565 1.00 0.00 C ATOM 117 OH TYR A 7 -6.850 3.056 -7.192 1.00 0.00 O ATOM 0 H TYR A 7 -5.607 -2.012 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.272 -1.049 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.522 -2.647 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.113 -2.037 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.367 0.535 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.026 -1.302 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.850 2.650 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.497 0.816 -7.446 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.004 3.410 -6.846 1.00 0.00 H new ATOM 127 N ASP A 8 -9.109 -3.400 -2.069 1.00 0.00 N ATOM 128 CA ASP A 8 -9.441 -4.658 -1.414 1.00 0.00 C ATOM 129 C ASP A 8 -9.729 -5.747 -2.443 1.00 0.00 C ATOM 130 O ASP A 8 -8.971 -6.707 -2.573 1.00 0.00 O ATOM 131 CB ASP A 8 -10.653 -4.476 -0.495 1.00 0.00 C ATOM 132 CG ASP A 8 -10.269 -3.965 0.881 1.00 0.00 C ATOM 133 OD1 ASP A 8 -9.243 -4.426 1.422 1.00 0.00 O ATOM 134 OD2 ASP A 8 -10.999 -3.104 1.417 1.00 0.00 O ATOM 0 H ASP A 8 -9.902 -2.774 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.583 -4.965 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.352 -3.778 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.173 -5.428 -0.393 1.00 0.00 H new ATOM 139 N SER A 9 -10.834 -5.591 -3.171 1.00 0.00 N ATOM 140 CA SER A 9 -11.234 -6.556 -4.197 1.00 0.00 C ATOM 141 C SER A 9 -12.678 -6.315 -4.625 1.00 0.00 C ATOM 142 O SER A 9 -13.022 -6.451 -5.800 1.00 0.00 O ATOM 143 CB SER A 9 -11.075 -7.993 -3.689 1.00 0.00 C ATOM 144 OG SER A 9 -9.836 -8.547 -4.099 1.00 0.00 O ATOM 0 H SER A 9 -11.472 -4.802 -3.069 1.00 0.00 H new ATOM 0 HA SER A 9 -10.581 -6.418 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.140 -8.006 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.893 -8.607 -4.065 1.00 0.00 H new ATOM 0 HG SER A 9 -9.103 -7.980 -3.781 1.00 0.00 H new ATOM 150 N ASN A 10 -13.518 -5.955 -3.658 1.00 0.00 N ATOM 151 CA ASN A 10 -14.929 -5.691 -3.918 1.00 0.00 C ATOM 152 C ASN A 10 -15.126 -4.307 -4.541 1.00 0.00 C ATOM 153 O ASN A 10 -16.079 -4.083 -5.288 1.00 0.00 O ATOM 154 CB ASN A 10 -15.729 -5.810 -2.618 1.00 0.00 C ATOM 155 CG ASN A 10 -17.122 -6.361 -2.843 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.409 -7.511 -2.511 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.996 -5.542 -3.415 1.00 0.00 N ATOM 0 H ASN A 10 -13.243 -5.839 -2.683 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.292 -6.432 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.193 -6.457 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.801 -4.829 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.949 -5.858 -3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.715 -4.596 -3.674 1.00 0.00 H new ATOM 164 N ILE A 11 -14.212 -3.383 -4.241 1.00 0.00 N ATOM 165 CA ILE A 11 -14.279 -2.026 -4.782 1.00 0.00 C ATOM 166 C ILE A 11 -13.500 -1.929 -6.088 1.00 0.00 C ATOM 167 O ILE A 11 -13.896 -1.224 -7.018 1.00 0.00 O ATOM 168 CB ILE A 11 -13.698 -0.991 -3.792 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.401 -1.077 -2.440 1.00 0.00 C ATOM 170 CG2 ILE A 11 -13.813 0.418 -4.362 1.00 0.00 C ATOM 171 CD1 ILE A 11 -13.893 -2.200 -1.566 1.00 0.00 C ATOM 0 H ILE A 11 -13.416 -3.551 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.332 -1.806 -4.955 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.643 -1.221 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.274 -0.131 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.470 -1.210 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.399 1.133 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.261 0.477 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.862 0.653 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.437 -2.201 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.045 -3.153 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.830 -2.058 -1.372 1.00 0.00 H new ATOM 183 N HIS A 12 -12.383 -2.642 -6.138 1.00 0.00 N ATOM 184 CA HIS A 12 -11.522 -2.653 -7.310 1.00 0.00 C ATOM 185 C HIS A 12 -10.714 -3.938 -7.355 1.00 0.00 C ATOM 186 O HIS A 12 -10.274 -4.443 -6.323 1.00 0.00 O ATOM 187 CB HIS A 12 -10.589 -1.444 -7.281 1.00 0.00 C ATOM 188 CG HIS A 12 -9.984 -1.093 -8.604 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.673 -1.111 -9.797 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.724 -0.681 -8.905 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.831 -0.718 -10.762 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.636 -0.445 -10.274 1.00 0.00 N ATOM 0 H HIS A 12 -12.050 -3.226 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.142 -2.600 -8.205 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.144 -0.582 -6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.787 -1.638 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.920 -0.557 -8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.096 -0.635 -11.806 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.817 -0.127 -10.792 1.00 0.00 H new ATOM 200 N LYS A 13 -10.530 -4.462 -8.551 1.00 0.00 N ATOM 201 CA LYS A 13 -9.781 -5.702 -8.731 1.00 0.00 C ATOM 202 C LYS A 13 -8.276 -5.448 -8.714 1.00 0.00 C ATOM 203 O LYS A 13 -7.803 -4.403 -9.163 1.00 0.00 O ATOM 204 CB LYS A 13 -10.186 -6.389 -10.039 1.00 0.00 C ATOM 205 CG LYS A 13 -10.270 -7.905 -9.929 1.00 0.00 C ATOM 206 CD LYS A 13 -10.123 -8.574 -11.286 1.00 0.00 C ATOM 207 CE LYS A 13 -8.715 -9.100 -11.498 1.00 0.00 C ATOM 208 NZ LYS A 13 -8.385 -9.231 -12.944 1.00 0.00 N ATOM 0 H LYS A 13 -10.886 -4.053 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.023 -6.360 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.153 -6.002 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.466 -6.128 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.490 -8.265 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.226 -8.186 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.835 -9.395 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.368 -7.861 -12.073 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.001 -8.428 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.613 -10.071 -11.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.416 -9.593 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.051 -9.891 -13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.458 -8.300 -13.402 1.00 0.00 H new ATOM 222 N CYS A 14 -7.529 -6.416 -8.187 1.00 0.00 N ATOM 223 CA CYS A 14 -6.076 -6.311 -8.105 1.00 0.00 C ATOM 224 C CYS A 14 -5.478 -7.557 -7.459 1.00 0.00 C ATOM 225 O CYS A 14 -5.604 -7.762 -6.252 1.00 0.00 O ATOM 226 CB CYS A 14 -5.675 -5.072 -7.307 1.00 0.00 C ATOM 227 SG CYS A 14 -4.457 -4.029 -8.140 1.00 0.00 S ATOM 0 H CYS A 14 -7.909 -7.284 -7.810 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.687 -6.223 -9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.567 -4.480 -7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.272 -5.386 -6.344 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.180 -3.003 -7.391 1.00 0.00 H new ATOM 233 N VAL A 15 -4.820 -8.383 -8.264 1.00 0.00 N ATOM 234 CA VAL A 15 -4.203 -9.602 -7.756 1.00 0.00 C ATOM 235 C VAL A 15 -2.973 -9.271 -6.918 1.00 0.00 C ATOM 236 O VAL A 15 -2.735 -9.879 -5.873 1.00 0.00 O ATOM 237 CB VAL A 15 -3.793 -10.552 -8.899 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.022 -11.061 -9.639 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.837 -9.856 -9.856 1.00 0.00 C ATOM 0 H VAL A 15 -4.700 -8.232 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.947 -10.103 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.277 -11.409 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.712 -11.730 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.667 -11.601 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.568 -10.217 -10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.559 -10.542 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.324 -8.979 -10.283 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.942 -9.547 -9.316 1.00 0.00 H new ATOM 249 N TYR A 16 -2.194 -8.299 -7.388 1.00 0.00 N ATOM 250 CA TYR A 16 -0.983 -7.877 -6.693 1.00 0.00 C ATOM 251 C TYR A 16 -1.264 -7.561 -5.229 1.00 0.00 C ATOM 252 O TYR A 16 -0.371 -7.656 -4.385 1.00 0.00 O ATOM 253 CB TYR A 16 -0.365 -6.660 -7.385 1.00 0.00 C ATOM 254 CG TYR A 16 0.569 -7.022 -8.517 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.894 -7.359 -8.270 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.125 -7.034 -9.834 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.750 -7.697 -9.302 1.00 0.00 C ATOM 258 CE2 TYR A 16 0.974 -7.371 -10.871 1.00 0.00 C ATOM 259 CZ TYR A 16 2.285 -7.701 -10.599 1.00 0.00 C ATOM 260 OH TYR A 16 3.135 -8.034 -11.629 1.00 0.00 O ATOM 0 H TYR A 16 -2.382 -7.788 -8.251 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.274 -8.704 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.164 -6.027 -7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.181 -6.071 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.262 -7.357 -7.255 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.901 -6.776 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.777 -7.956 -9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.613 -7.376 -11.889 1.00 0.00 H new ATOM 0 HH TYR A 16 2.651 -7.989 -12.480 1.00 0.00 H new ATOM 270 N CYS A 17 -2.504 -7.192 -4.925 1.00 0.00 N ATOM 271 CA CYS A 17 -2.883 -6.878 -3.555 1.00 0.00 C ATOM 272 C CYS A 17 -2.799 -8.127 -2.689 1.00 0.00 C ATOM 273 O CYS A 17 -2.000 -8.196 -1.756 1.00 0.00 O ATOM 274 CB CYS A 17 -4.298 -6.296 -3.504 1.00 0.00 C ATOM 275 SG CYS A 17 -4.868 -5.893 -1.835 1.00 0.00 S ATOM 0 H CYS A 17 -3.259 -7.104 -5.606 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.190 -6.131 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.331 -5.395 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.990 -7.010 -3.951 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.464 -4.738 -1.847 1.00 0.00 H new ATOM 281 N ASP A 18 -3.618 -9.122 -3.018 1.00 0.00 N ATOM 282 CA ASP A 18 -3.630 -10.377 -2.275 1.00 0.00 C ATOM 283 C ASP A 18 -2.241 -11.009 -2.270 1.00 0.00 C ATOM 284 O ASP A 18 -1.854 -11.680 -1.313 1.00 0.00 O ATOM 285 CB ASP A 18 -4.642 -11.350 -2.884 1.00 0.00 C ATOM 286 CG ASP A 18 -5.162 -12.348 -1.867 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.333 -13.026 -1.226 1.00 0.00 O ATOM 288 OD2 ASP A 18 -6.398 -12.449 -1.712 1.00 0.00 O ATOM 0 H ASP A 18 -4.280 -9.083 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.922 -10.162 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.479 -10.788 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.176 -11.886 -3.711 1.00 0.00 H new ATOM 293 N ASN A 19 -1.495 -10.786 -3.349 1.00 0.00 N ATOM 294 CA ASN A 19 -0.148 -11.329 -3.474 1.00 0.00 C ATOM 295 C ASN A 19 0.778 -10.731 -2.421 1.00 0.00 C ATOM 296 O ASN A 19 1.448 -11.458 -1.685 1.00 0.00 O ATOM 297 CB ASN A 19 0.408 -11.062 -4.876 1.00 0.00 C ATOM 298 CG ASN A 19 1.153 -12.257 -5.437 1.00 0.00 C ATOM 299 OD1 ASN A 19 2.129 -12.725 -4.851 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.693 -12.757 -6.577 1.00 0.00 N ATOM 0 H ASN A 19 -1.802 -10.233 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.201 -12.406 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.411 -10.801 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.078 -10.203 -4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.152 -13.562 -7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.120 -12.336 -7.027 1.00 0.00 H new ATOM 307 N ALA A 20 0.823 -9.405 -2.361 1.00 0.00 N ATOM 308 CA ALA A 20 1.671 -8.720 -1.396 1.00 0.00 C ATOM 309 C ALA A 20 1.212 -8.999 0.029 1.00 0.00 C ATOM 310 O ALA A 20 2.021 -9.033 0.957 1.00 0.00 O ATOM 311 CB ALA A 20 1.693 -7.225 -1.670 1.00 0.00 C ATOM 0 H ALA A 20 0.284 -8.786 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 20 2.685 -9.105 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.332 -6.730 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.082 -7.044 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.681 -6.827 -1.596 1.00 0.00 H new ATOM 317 N LYS A 21 -0.088 -9.211 0.198 1.00 0.00 N ATOM 318 CA LYS A 21 -0.644 -9.501 1.513 1.00 0.00 C ATOM 319 C LYS A 21 -0.038 -10.786 2.067 1.00 0.00 C ATOM 320 O LYS A 21 0.202 -10.909 3.267 1.00 0.00 O ATOM 321 CB LYS A 21 -2.166 -9.632 1.433 1.00 0.00 C ATOM 322 CG LYS A 21 -2.873 -9.310 2.738 1.00 0.00 C ATOM 323 CD LYS A 21 -4.375 -9.181 2.540 1.00 0.00 C ATOM 324 CE LYS A 21 -5.073 -10.523 2.690 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.365 -10.563 1.951 1.00 0.00 N ATOM 0 H LYS A 21 -0.774 -9.188 -0.556 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.400 -8.676 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.539 -8.967 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.420 -10.649 1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.667 -10.093 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.478 -8.381 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.780 -8.476 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.579 -8.772 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.420 -11.315 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.253 -10.723 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.809 -11.495 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.998 -9.824 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.191 -10.398 0.939 1.00 0.00 H new ATOM 339 N ARG A 22 0.215 -11.737 1.173 1.00 0.00 N ATOM 340 CA ARG A 22 0.803 -13.016 1.556 1.00 0.00 C ATOM 341 C ARG A 22 2.300 -12.864 1.811 1.00 0.00 C ATOM 342 O ARG A 22 2.884 -13.609 2.597 1.00 0.00 O ATOM 343 CB ARG A 22 0.565 -14.056 0.460 1.00 0.00 C ATOM 344 CG ARG A 22 0.454 -15.479 0.983 1.00 0.00 C ATOM 345 CD ARG A 22 -0.375 -16.351 0.053 1.00 0.00 C ATOM 346 NE ARG A 22 -1.261 -17.250 0.789 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.924 -18.259 0.231 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.806 -18.501 -1.069 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.709 -19.028 0.972 1.00 0.00 N ATOM 0 H ARG A 22 0.021 -11.645 0.176 1.00 0.00 H new ATOM 0 HA ARG A 22 0.325 -13.352 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.349 -13.803 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.382 -14.005 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.451 -15.907 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.001 -15.469 1.974 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.968 -15.717 -0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.289 -16.937 -0.582 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.378 -17.095 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.205 -17.912 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.317 -19.276 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.805 -18.846 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.217 -19.802 0.543 1.00 0.00 H new ATOM 363 N LEU A 23 2.912 -11.887 1.146 1.00 0.00 N ATOM 364 CA LEU A 23 4.338 -11.627 1.302 1.00 0.00 C ATOM 365 C LEU A 23 4.666 -11.352 2.764 1.00 0.00 C ATOM 366 O LEU A 23 5.500 -12.029 3.365 1.00 0.00 O ATOM 367 CB LEU A 23 4.747 -10.428 0.439 1.00 0.00 C ATOM 368 CG LEU A 23 6.237 -10.327 0.098 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.539 -8.984 -0.546 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.098 -10.518 1.336 1.00 0.00 C ATOM 0 H LEU A 23 2.440 -11.262 0.493 1.00 0.00 H new ATOM 0 HA LEU A 23 4.894 -12.506 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.183 -10.466 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.449 -9.515 0.955 1.00 0.00 H new ATOM 0 HG LEU A 23 6.476 -11.123 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.601 -8.925 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.956 -8.880 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.276 -8.182 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.150 -10.441 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.856 -9.749 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.906 -11.501 1.765 1.00 0.00 H new ATOM 382 N LEU A 24 3.996 -10.357 3.330 1.00 0.00 N ATOM 383 CA LEU A 24 4.205 -9.990 4.725 1.00 0.00 C ATOM 384 C LEU A 24 3.811 -11.138 5.648 1.00 0.00 C ATOM 385 O LEU A 24 4.544 -11.483 6.576 1.00 0.00 O ATOM 386 CB LEU A 24 3.400 -8.737 5.073 1.00 0.00 C ATOM 387 CG LEU A 24 3.433 -7.630 4.016 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.771 -6.366 4.543 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.865 -7.342 3.585 1.00 0.00 C ATOM 0 H LEU A 24 3.302 -9.789 2.844 1.00 0.00 H new ATOM 0 HA LEU A 24 5.265 -9.778 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.363 -9.026 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.775 -8.332 6.013 1.00 0.00 H new ATOM 0 HG LEU A 24 2.874 -7.973 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.805 -5.591 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.733 -6.578 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.300 -6.021 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.867 -6.552 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.448 -7.022 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.307 -8.245 3.164 1.00 0.00 H new ATOM 401 N THR A 25 2.652 -11.734 5.382 1.00 0.00 N ATOM 402 CA THR A 25 2.166 -12.851 6.185 1.00 0.00 C ATOM 403 C THR A 25 3.199 -13.973 6.214 1.00 0.00 C ATOM 404 O THR A 25 3.370 -14.651 7.226 1.00 0.00 O ATOM 405 CB THR A 25 0.842 -13.373 5.624 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.074 -12.309 5.431 1.00 0.00 O ATOM 407 CG2 THR A 25 0.175 -14.396 6.518 1.00 0.00 C ATOM 0 H THR A 25 2.033 -11.462 4.618 1.00 0.00 H new ATOM 0 HA THR A 25 2.002 -12.498 7.203 1.00 0.00 H new ATOM 0 HB THR A 25 1.097 -13.852 4.679 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.129 -12.094 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.759 -14.725 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.837 -15.252 6.648 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.034 -13.949 7.490 1.00 0.00 H new ATOM 415 N VAL A 26 3.894 -14.150 5.095 1.00 0.00 N ATOM 416 CA VAL A 26 4.920 -15.178 4.978 1.00 0.00 C ATOM 417 C VAL A 26 6.193 -14.756 5.711 1.00 0.00 C ATOM 418 O VAL A 26 6.945 -15.598 6.204 1.00 0.00 O ATOM 419 CB VAL A 26 5.248 -15.467 3.497 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.454 -16.389 3.371 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.040 -16.066 2.794 1.00 0.00 C ATOM 0 H VAL A 26 3.763 -13.591 4.252 1.00 0.00 H new ATOM 0 HA VAL A 26 4.529 -16.087 5.435 1.00 0.00 H new ATOM 0 HB VAL A 26 5.498 -14.522 3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.661 -16.575 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.321 -15.919 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.243 -17.334 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.287 -16.264 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.759 -16.998 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.206 -15.365 2.843 1.00 0.00 H new ATOM 431 N LYS A 27 6.426 -13.449 5.778 1.00 0.00 N ATOM 432 CA LYS A 27 7.605 -12.915 6.453 1.00 0.00 C ATOM 433 C LYS A 27 7.443 -12.965 7.973 1.00 0.00 C ATOM 434 O LYS A 27 8.411 -12.782 8.712 1.00 0.00 O ATOM 435 CB LYS A 27 7.867 -11.475 6.003 1.00 0.00 C ATOM 436 CG LYS A 27 8.871 -11.364 4.867 1.00 0.00 C ATOM 437 CD LYS A 27 10.296 -11.560 5.362 1.00 0.00 C ATOM 438 CE LYS A 27 11.128 -12.351 4.366 1.00 0.00 C ATOM 439 NZ LYS A 27 11.269 -13.777 4.771 1.00 0.00 N ATOM 0 H LYS A 27 5.815 -12.740 5.373 1.00 0.00 H new ATOM 0 HA LYS A 27 8.457 -13.537 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.925 -11.024 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.229 -10.898 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.644 -12.109 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.780 -10.386 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.759 -10.588 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.281 -12.080 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.664 -12.297 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.116 -11.899 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.843 -14.283 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.735 -13.830 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.328 -14.216 4.830 1.00 0.00 H new ATOM 453 N LYS A 28 6.217 -13.212 8.434 1.00 0.00 N ATOM 454 CA LYS A 28 5.929 -13.284 9.867 1.00 0.00 C ATOM 455 C LYS A 28 5.882 -11.890 10.480 1.00 0.00 C ATOM 456 O LYS A 28 6.342 -11.674 11.601 1.00 0.00 O ATOM 457 CB LYS A 28 6.974 -14.139 10.591 1.00 0.00 C ATOM 458 CG LYS A 28 6.414 -14.913 11.773 1.00 0.00 C ATOM 459 CD LYS A 28 5.520 -16.055 11.318 1.00 0.00 C ATOM 460 CE LYS A 28 6.334 -17.206 10.748 1.00 0.00 C ATOM 461 NZ LYS A 28 7.030 -17.976 11.816 1.00 0.00 N ATOM 0 H LYS A 28 5.406 -13.366 7.835 1.00 0.00 H new ATOM 0 HA LYS A 28 4.952 -13.752 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.411 -14.842 9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.781 -13.494 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.234 -15.308 12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.847 -14.239 12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.925 -16.410 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.821 -15.693 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.678 -17.873 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.069 -16.817 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.433 -18.845 11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.793 -17.397 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.351 -18.225 12.563 1.00 0.00 H new ATOM 475 N GLN A 29 5.318 -10.945 9.736 1.00 0.00 N ATOM 476 CA GLN A 29 5.206 -9.570 10.200 1.00 0.00 C ATOM 477 C GLN A 29 3.777 -9.061 10.038 1.00 0.00 C ATOM 478 O GLN A 29 3.125 -9.337 9.030 1.00 0.00 O ATOM 479 CB GLN A 29 6.172 -8.670 9.427 1.00 0.00 C ATOM 480 CG GLN A 29 7.591 -8.694 9.969 1.00 0.00 C ATOM 481 CD GLN A 29 7.899 -7.500 10.850 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.202 -6.413 10.359 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.823 -7.698 12.161 1.00 0.00 N ATOM 0 H GLN A 29 4.931 -11.108 8.807 1.00 0.00 H new ATOM 0 HA GLN A 29 5.466 -9.544 11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.186 -8.979 8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.800 -7.646 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.743 -9.610 10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.294 -8.717 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.568 -8.616 12.524 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.020 -6.932 12.805 1.00 0.00 H new ATOM 492 N PRO A 30 3.268 -8.302 11.023 1.00 0.00 N ATOM 493 CA PRO A 30 1.914 -7.751 10.970 1.00 0.00 C ATOM 494 C PRO A 30 1.839 -6.535 10.059 1.00 0.00 C ATOM 495 O PRO A 30 2.860 -5.924 9.756 1.00 0.00 O ATOM 496 CB PRO A 30 1.659 -7.341 12.417 1.00 0.00 C ATOM 497 CG PRO A 30 3.004 -6.947 12.912 1.00 0.00 C ATOM 498 CD PRO A 30 3.970 -7.905 12.262 1.00 0.00 C ATOM 0 HA PRO A 30 1.187 -8.460 10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.951 -6.515 12.481 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.243 -8.163 12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.234 -5.916 12.644 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.057 -7.013 13.999 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.927 -7.429 12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.177 -8.764 12.901 1.00 0.00 H new ATOM 506 N PHE A 31 0.632 -6.190 9.625 1.00 0.00 N ATOM 507 CA PHE A 31 0.444 -5.042 8.745 1.00 0.00 C ATOM 508 C PHE A 31 -1.008 -4.570 8.747 1.00 0.00 C ATOM 509 O PHE A 31 -1.885 -5.241 9.294 1.00 0.00 O ATOM 510 CB PHE A 31 0.890 -5.387 7.337 1.00 0.00 C ATOM 511 CG PHE A 31 0.033 -6.428 6.707 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.154 -6.077 6.102 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.404 -7.755 6.744 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.962 -7.036 5.535 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.396 -8.724 6.182 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.584 -8.366 5.573 1.00 0.00 C ATOM 0 H PHE A 31 -0.226 -6.685 9.866 1.00 0.00 H new ATOM 0 HA PHE A 31 1.057 -4.223 9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.873 -4.487 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.922 -5.737 7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.453 -5.040 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.332 -8.037 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.890 -6.751 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.096 -9.761 6.217 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.215 -9.122 5.129 1.00 0.00 H new ATOM 526 N GLU A 32 -1.260 -3.417 8.128 1.00 0.00 N ATOM 527 CA GLU A 32 -2.608 -2.867 8.063 1.00 0.00 C ATOM 528 C GLU A 32 -2.906 -2.329 6.669 1.00 0.00 C ATOM 529 O GLU A 32 -2.166 -1.497 6.140 1.00 0.00 O ATOM 530 CB GLU A 32 -2.782 -1.756 9.101 1.00 0.00 C ATOM 531 CG GLU A 32 -3.770 -2.102 10.204 1.00 0.00 C ATOM 532 CD GLU A 32 -5.149 -2.431 9.668 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.970 -1.500 9.531 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.408 -3.620 9.385 1.00 0.00 O ATOM 0 H GLU A 32 -0.549 -2.849 7.667 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.312 -3.669 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.813 -1.534 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.116 -0.849 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.392 -2.952 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.844 -1.264 10.897 1.00 0.00 H new ATOM 541 N PHE A 33 -3.992 -2.814 6.080 1.00 0.00 N ATOM 542 CA PHE A 33 -4.400 -2.396 4.750 1.00 0.00 C ATOM 543 C PHE A 33 -5.325 -1.190 4.813 1.00 0.00 C ATOM 544 O PHE A 33 -5.980 -0.943 5.826 1.00 0.00 O ATOM 545 CB PHE A 33 -5.108 -3.549 4.045 1.00 0.00 C ATOM 546 CG PHE A 33 -5.097 -3.423 2.558 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.928 -3.622 1.853 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.251 -3.100 1.869 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.904 -3.502 0.478 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.238 -2.978 0.492 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.061 -3.180 -0.204 1.00 0.00 C ATOM 0 H PHE A 33 -4.609 -3.503 6.509 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.508 -2.113 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.631 -4.487 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.140 -3.600 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.021 -3.875 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.171 -2.941 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.983 -3.660 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.144 -2.726 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.046 -3.086 -1.280 1.00 0.00 H new ATOM 561 N ILE A 34 -5.377 -0.447 3.715 1.00 0.00 N ATOM 562 CA ILE A 34 -6.224 0.730 3.620 1.00 0.00 C ATOM 563 C ILE A 34 -6.662 0.949 2.181 1.00 0.00 C ATOM 564 O ILE A 34 -5.835 1.067 1.276 1.00 0.00 O ATOM 565 CB ILE A 34 -5.513 2.000 4.122 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.799 1.736 5.447 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.510 3.139 4.271 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.844 2.840 5.848 1.00 0.00 C ATOM 0 H ILE A 34 -4.837 -0.643 2.872 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.090 0.548 4.256 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.763 2.287 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.544 1.607 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.248 0.798 5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.993 4.031 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.971 3.348 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.281 2.856 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.373 2.586 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.078 2.954 5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.393 3.775 5.954 1.00 0.00 H new ATOM 580 N ASN A 35 -7.964 1.000 1.983 1.00 0.00 N ATOM 581 CA ASN A 35 -8.531 1.204 0.656 1.00 0.00 C ATOM 582 C ASN A 35 -8.626 2.688 0.339 1.00 0.00 C ATOM 583 O ASN A 35 -9.421 3.411 0.938 1.00 0.00 O ATOM 584 CB ASN A 35 -9.916 0.561 0.563 1.00 0.00 C ATOM 585 CG ASN A 35 -10.807 0.936 1.730 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.352 2.039 1.782 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.956 0.019 2.679 1.00 0.00 N ATOM 0 H ASN A 35 -8.656 0.903 2.726 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.873 0.731 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.394 0.867 -0.368 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.808 -0.523 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.541 0.216 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.486 -0.882 2.596 1.00 0.00 H new ATOM 594 N ILE A 36 -7.804 3.142 -0.599 1.00 0.00 N ATOM 595 CA ILE A 36 -7.807 4.545 -0.984 1.00 0.00 C ATOM 596 C ILE A 36 -9.078 4.908 -1.748 1.00 0.00 C ATOM 597 O ILE A 36 -9.391 6.085 -1.921 1.00 0.00 O ATOM 598 CB ILE A 36 -6.565 4.922 -1.820 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.654 4.362 -3.249 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.298 4.438 -1.130 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.488 2.860 -3.337 1.00 0.00 C ATOM 0 H ILE A 36 -7.132 2.563 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.776 5.120 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.530 6.009 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.619 4.635 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.889 4.838 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.430 4.710 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.219 4.902 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.336 3.354 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.564 2.546 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.511 2.578 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.269 2.373 -2.753 1.00 0.00 H new ATOM 613 N MET A 37 -9.815 3.893 -2.195 1.00 0.00 N ATOM 614 CA MET A 37 -11.053 4.123 -2.924 1.00 0.00 C ATOM 615 C MET A 37 -12.212 3.363 -2.284 1.00 0.00 C ATOM 616 O MET A 37 -12.488 2.219 -2.643 1.00 0.00 O ATOM 617 CB MET A 37 -10.910 3.723 -4.397 1.00 0.00 C ATOM 618 CG MET A 37 -12.228 3.740 -5.162 1.00 0.00 C ATOM 619 SD MET A 37 -12.071 4.429 -6.819 1.00 0.00 S ATOM 620 CE MET A 37 -10.747 3.420 -7.473 1.00 0.00 C ATOM 0 H MET A 37 -9.575 2.910 -2.064 1.00 0.00 H new ATOM 0 HA MET A 37 -11.268 5.190 -2.877 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.208 4.401 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.479 2.723 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.614 2.723 -5.232 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.960 4.321 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.773 3.447 -8.562 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.789 3.805 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.871 2.392 -7.132 1.00 0.00 H new ATOM 630 N PRO A 38 -12.909 3.995 -1.324 1.00 0.00 N ATOM 631 CA PRO A 38 -14.046 3.377 -0.639 1.00 0.00 C ATOM 632 C PRO A 38 -15.325 3.434 -1.474 1.00 0.00 C ATOM 633 O PRO A 38 -16.379 2.962 -1.045 1.00 0.00 O ATOM 634 CB PRO A 38 -14.185 4.229 0.620 1.00 0.00 C ATOM 635 CG PRO A 38 -13.722 5.583 0.205 1.00 0.00 C ATOM 636 CD PRO A 38 -12.650 5.363 -0.833 1.00 0.00 C ATOM 0 HA PRO A 38 -13.888 2.317 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.216 4.252 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.579 3.835 1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.546 6.167 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.330 6.138 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.716 6.096 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.652 5.451 -0.403 1.00 0.00 H new ATOM 644 N GLU A 39 -15.225 4.017 -2.666 1.00 0.00 N ATOM 645 CA GLU A 39 -16.366 4.139 -3.563 1.00 0.00 C ATOM 646 C GLU A 39 -15.944 3.883 -5.006 1.00 0.00 C ATOM 647 O GLU A 39 -14.911 4.374 -5.456 1.00 0.00 O ATOM 648 CB GLU A 39 -16.991 5.529 -3.437 1.00 0.00 C ATOM 649 CG GLU A 39 -18.399 5.615 -4.000 1.00 0.00 C ATOM 650 CD GLU A 39 -18.871 7.045 -4.178 1.00 0.00 C ATOM 651 OE1 GLU A 39 -18.251 7.954 -3.588 1.00 0.00 O ATOM 652 OE2 GLU A 39 -19.863 7.255 -4.908 1.00 0.00 O ATOM 0 H GLU A 39 -14.360 4.414 -3.032 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.107 3.391 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.011 5.815 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.358 6.251 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.433 5.103 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.085 5.090 -3.335 1.00 0.00 H new ATOM 659 N LYS A 40 -16.750 3.113 -5.731 1.00 0.00 N ATOM 660 CA LYS A 40 -16.447 2.793 -7.125 1.00 0.00 C ATOM 661 C LYS A 40 -16.452 4.029 -8.010 1.00 0.00 C ATOM 662 O LYS A 40 -16.062 3.979 -9.176 1.00 0.00 O ATOM 663 CB LYS A 40 -17.417 1.738 -7.662 1.00 0.00 C ATOM 664 CG LYS A 40 -17.157 0.346 -7.111 1.00 0.00 C ATOM 665 CD LYS A 40 -17.888 -0.720 -7.911 1.00 0.00 C ATOM 666 CE LYS A 40 -18.315 -1.880 -7.025 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.659 -1.656 -6.427 1.00 0.00 N ATOM 0 H LYS A 40 -17.614 2.700 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.437 2.383 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.437 2.034 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.347 1.710 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.086 0.142 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.475 0.301 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.765 -0.282 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.241 -1.087 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.327 -2.799 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.582 -2.018 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.913 -2.469 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.641 -0.793 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.363 -1.549 -7.185 1.00 0.00 H new ATOM 681 N GLY A 41 -16.880 5.130 -7.437 1.00 0.00 N ATOM 682 CA GLY A 41 -16.924 6.387 -8.159 1.00 0.00 C ATOM 683 C GLY A 41 -15.586 7.100 -8.144 1.00 0.00 C ATOM 684 O GLY A 41 -14.966 7.297 -9.188 1.00 0.00 O ATOM 0 H GLY A 41 -17.204 5.184 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.224 6.202 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.683 7.032 -7.717 1.00 0.00 H new ATOM 688 N VAL A 42 -15.135 7.478 -6.950 1.00 0.00 N ATOM 689 CA VAL A 42 -13.860 8.168 -6.801 1.00 0.00 C ATOM 690 C VAL A 42 -13.190 7.807 -5.478 1.00 0.00 C ATOM 691 O VAL A 42 -13.866 7.512 -4.491 1.00 0.00 O ATOM 692 CB VAL A 42 -14.037 9.695 -6.879 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.685 10.390 -6.919 1.00 0.00 C ATOM 694 CG2 VAL A 42 -14.874 10.072 -8.093 1.00 0.00 C ATOM 0 H VAL A 42 -15.634 7.318 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.224 7.843 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.563 10.028 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.832 11.469 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.124 10.146 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.129 10.054 -7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.990 11.155 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.377 9.726 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.856 9.605 -8.017 1.00 0.00 H new ATOM 704 N PHE A 43 -11.858 7.827 -5.460 1.00 0.00 N ATOM 705 CA PHE A 43 -11.108 7.493 -4.249 1.00 0.00 C ATOM 706 C PHE A 43 -11.278 8.560 -3.171 1.00 0.00 C ATOM 707 O PHE A 43 -11.849 9.622 -3.418 1.00 0.00 O ATOM 708 CB PHE A 43 -9.615 7.272 -4.539 1.00 0.00 C ATOM 709 CG PHE A 43 -9.107 7.959 -5.775 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.621 9.254 -5.715 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.112 7.303 -6.993 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.149 9.885 -6.851 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.642 7.926 -8.134 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.161 9.219 -8.062 1.00 0.00 C ATOM 0 H PHE A 43 -11.279 8.069 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.523 6.556 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.037 7.620 -3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.432 6.202 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.610 9.777 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.488 6.292 -7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.772 10.895 -6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.651 7.403 -9.079 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.794 9.709 -8.952 1.00 0.00 H new ATOM 724 N ASP A 44 -10.783 8.263 -1.968 1.00 0.00 N ATOM 725 CA ASP A 44 -10.889 9.190 -0.843 1.00 0.00 C ATOM 726 C ASP A 44 -9.620 10.027 -0.697 1.00 0.00 C ATOM 727 O ASP A 44 -8.564 9.512 -0.336 1.00 0.00 O ATOM 728 CB ASP A 44 -11.158 8.424 0.455 1.00 0.00 C ATOM 729 CG ASP A 44 -12.281 9.039 1.267 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.298 10.281 1.412 1.00 0.00 O ATOM 731 OD2 ASP A 44 -13.144 8.281 1.758 1.00 0.00 O ATOM 0 H ASP A 44 -10.306 7.389 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.723 9.862 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.409 7.390 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.249 8.402 1.056 1.00 0.00 H new ATOM 736 N ASP A 45 -9.734 11.320 -0.981 1.00 0.00 N ATOM 737 CA ASP A 45 -8.598 12.230 -0.889 1.00 0.00 C ATOM 738 C ASP A 45 -8.091 12.362 0.547 1.00 0.00 C ATOM 739 O ASP A 45 -6.935 12.720 0.771 1.00 0.00 O ATOM 740 CB ASP A 45 -8.985 13.608 -1.427 1.00 0.00 C ATOM 741 CG ASP A 45 -9.350 13.571 -2.898 1.00 0.00 C ATOM 742 OD1 ASP A 45 -8.429 13.474 -3.734 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.557 13.639 -3.212 1.00 0.00 O ATOM 0 H ASP A 45 -10.604 11.762 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.792 11.812 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.829 13.995 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.156 14.299 -1.278 1.00 0.00 H new ATOM 748 N GLU A 46 -8.955 12.076 1.520 1.00 0.00 N ATOM 749 CA GLU A 46 -8.571 12.174 2.925 1.00 0.00 C ATOM 750 C GLU A 46 -7.382 11.264 3.227 1.00 0.00 C ATOM 751 O GLU A 46 -6.364 11.711 3.762 1.00 0.00 O ATOM 752 CB GLU A 46 -9.755 11.825 3.832 1.00 0.00 C ATOM 753 CG GLU A 46 -10.300 10.422 3.620 1.00 0.00 C ATOM 754 CD GLU A 46 -11.663 10.224 4.253 1.00 0.00 C ATOM 755 OE1 GLU A 46 -12.591 10.989 3.916 1.00 0.00 O ATOM 756 OE2 GLU A 46 -11.802 9.305 5.087 1.00 0.00 O ATOM 0 H GLU A 46 -9.917 11.777 1.362 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.273 13.203 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.447 11.931 4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.555 12.545 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.367 10.220 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.601 9.698 4.038 1.00 0.00 H new ATOM 763 N LYS A 47 -7.508 9.992 2.864 1.00 0.00 N ATOM 764 CA LYS A 47 -6.433 9.035 3.082 1.00 0.00 C ATOM 765 C LYS A 47 -5.273 9.344 2.148 1.00 0.00 C ATOM 766 O LYS A 47 -4.111 9.356 2.555 1.00 0.00 O ATOM 767 CB LYS A 47 -6.928 7.605 2.854 1.00 0.00 C ATOM 768 CG LYS A 47 -8.274 7.317 3.498 1.00 0.00 C ATOM 769 CD LYS A 47 -8.346 5.893 4.025 1.00 0.00 C ATOM 770 CE LYS A 47 -8.108 5.841 5.526 1.00 0.00 C ATOM 771 NZ LYS A 47 -6.796 6.437 5.901 1.00 0.00 N ATOM 0 H LYS A 47 -8.340 9.603 2.420 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.094 9.119 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.001 7.421 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.189 6.907 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.445 8.018 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.069 7.477 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.323 5.468 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.604 5.278 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.909 6.374 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.146 4.805 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.547 6.148 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.063 6.106 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.860 7.474 5.855 1.00 0.00 H new ATOM 785 N ILE A 48 -5.608 9.610 0.890 1.00 0.00 N ATOM 786 CA ILE A 48 -4.618 9.943 -0.121 1.00 0.00 C ATOM 787 C ILE A 48 -3.763 11.121 0.330 1.00 0.00 C ATOM 788 O ILE A 48 -2.550 11.144 0.116 1.00 0.00 O ATOM 789 CB ILE A 48 -5.300 10.315 -1.454 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.153 9.150 -1.969 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.271 10.744 -2.492 1.00 0.00 C ATOM 792 CD1 ILE A 48 -5.354 8.013 -2.565 1.00 0.00 C ATOM 0 H ILE A 48 -6.568 9.600 0.546 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.989 9.064 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.961 11.163 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.755 8.764 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.845 9.526 -2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.778 11.001 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.724 11.613 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.574 9.926 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.032 7.231 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.772 8.381 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.681 7.607 -1.810 1.00 0.00 H new ATOM 804 N ALA A 49 -4.410 12.106 0.947 1.00 0.00 N ATOM 805 CA ALA A 49 -3.713 13.292 1.422 1.00 0.00 C ATOM 806 C ALA A 49 -2.619 12.912 2.410 1.00 0.00 C ATOM 807 O ALA A 49 -1.465 13.312 2.259 1.00 0.00 O ATOM 808 CB ALA A 49 -4.694 14.265 2.061 1.00 0.00 C ATOM 0 H ALA A 49 -5.414 12.104 1.128 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.247 13.782 0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.157 15.146 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.441 14.564 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.188 13.783 2.905 1.00 0.00 H new ATOM 814 N GLU A 50 -2.988 12.123 3.415 1.00 0.00 N ATOM 815 CA GLU A 50 -2.029 11.675 4.419 1.00 0.00 C ATOM 816 C GLU A 50 -0.858 10.962 3.749 1.00 0.00 C ATOM 817 O GLU A 50 0.276 11.025 4.221 1.00 0.00 O ATOM 818 CB GLU A 50 -2.712 10.744 5.427 1.00 0.00 C ATOM 819 CG GLU A 50 -1.739 9.953 6.293 1.00 0.00 C ATOM 820 CD GLU A 50 -2.070 10.034 7.771 1.00 0.00 C ATOM 821 OE1 GLU A 50 -2.704 11.027 8.185 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.695 9.102 8.515 1.00 0.00 O ATOM 0 H GLU A 50 -3.939 11.782 3.555 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.648 12.546 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.360 11.336 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.352 10.047 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.747 8.909 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.728 10.327 6.130 1.00 0.00 H new ATOM 829 N LEU A 51 -1.145 10.290 2.638 1.00 0.00 N ATOM 830 CA LEU A 51 -0.128 9.567 1.895 1.00 0.00 C ATOM 831 C LEU A 51 0.951 10.528 1.408 1.00 0.00 C ATOM 832 O LEU A 51 2.142 10.298 1.612 1.00 0.00 O ATOM 833 CB LEU A 51 -0.771 8.841 0.711 1.00 0.00 C ATOM 834 CG LEU A 51 0.026 7.670 0.152 1.00 0.00 C ATOM 835 CD1 LEU A 51 -0.815 6.871 -0.829 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.297 8.150 -0.512 1.00 0.00 C ATOM 0 H LEU A 51 -2.080 10.234 2.234 1.00 0.00 H new ATOM 0 HA LEU A 51 0.337 8.830 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.751 8.477 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.935 9.562 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 51 0.300 7.021 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.228 6.039 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.699 6.486 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.122 7.515 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.848 7.295 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.047 8.826 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.913 8.676 0.218 1.00 0.00 H new ATOM 848 N LEU A 52 0.521 11.616 0.773 1.00 0.00 N ATOM 849 CA LEU A 52 1.437 12.623 0.264 1.00 0.00 C ATOM 850 C LEU A 52 2.399 13.101 1.343 1.00 0.00 C ATOM 851 O LEU A 52 3.598 13.249 1.106 1.00 0.00 O ATOM 852 CB LEU A 52 0.643 13.776 -0.278 1.00 0.00 C ATOM 853 CG LEU A 52 -0.117 13.420 -1.539 1.00 0.00 C ATOM 854 CD1 LEU A 52 -0.944 14.587 -1.961 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.841 13.001 -2.643 1.00 0.00 C ATOM 0 H LEU A 52 -0.463 11.820 0.600 1.00 0.00 H new ATOM 0 HA LEU A 52 2.037 12.180 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.061 14.116 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.315 14.609 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.775 12.574 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.493 14.335 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.649 14.839 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.296 15.441 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.275 12.749 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.524 13.822 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.412 12.131 -2.318 1.00 0.00 H new ATOM 867 N THR A 53 1.861 13.335 2.535 1.00 0.00 N ATOM 868 CA THR A 53 2.663 13.793 3.664 1.00 0.00 C ATOM 869 C THR A 53 3.836 12.848 3.910 1.00 0.00 C ATOM 870 O THR A 53 4.973 13.285 4.089 1.00 0.00 O ATOM 871 CB THR A 53 1.801 13.892 4.923 1.00 0.00 C ATOM 872 OG1 THR A 53 0.567 14.526 4.636 1.00 0.00 O ATOM 873 CG2 THR A 53 2.464 14.663 6.044 1.00 0.00 C ATOM 0 H THR A 53 0.870 13.215 2.745 1.00 0.00 H new ATOM 0 HA THR A 53 3.056 14.781 3.424 1.00 0.00 H new ATOM 0 HB THR A 53 1.650 12.864 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.028 14.579 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.799 14.695 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.396 14.171 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.676 15.679 5.711 1.00 0.00 H new ATOM 881 N LYS A 54 3.548 11.551 3.910 1.00 0.00 N ATOM 882 CA LYS A 54 4.576 10.541 4.126 1.00 0.00 C ATOM 883 C LYS A 54 5.613 10.582 3.008 1.00 0.00 C ATOM 884 O LYS A 54 6.804 10.383 3.243 1.00 0.00 O ATOM 885 CB LYS A 54 3.944 9.148 4.208 1.00 0.00 C ATOM 886 CG LYS A 54 2.857 9.037 5.264 1.00 0.00 C ATOM 887 CD LYS A 54 2.927 7.708 6.000 1.00 0.00 C ATOM 888 CE LYS A 54 1.886 6.730 5.485 1.00 0.00 C ATOM 889 NZ LYS A 54 0.669 6.710 6.344 1.00 0.00 N ATOM 0 H LYS A 54 2.611 11.175 3.763 1.00 0.00 H new ATOM 0 HA LYS A 54 5.076 10.757 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.523 8.891 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.723 8.416 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.957 9.855 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.879 9.142 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.922 7.278 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.776 7.873 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.607 7.000 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.317 5.730 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.180 6.713 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.674 5.853 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.663 7.550 6.957 1.00 0.00 H new ATOM 903 N LEU A 55 5.147 10.849 1.792 1.00 0.00 N ATOM 904 CA LEU A 55 6.028 10.929 0.633 1.00 0.00 C ATOM 905 C LEU A 55 7.054 12.043 0.811 1.00 0.00 C ATOM 906 O LEU A 55 8.257 11.821 0.680 1.00 0.00 O ATOM 907 CB LEU A 55 5.209 11.168 -0.632 1.00 0.00 C ATOM 908 CG LEU A 55 4.331 9.991 -1.068 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.190 9.978 -2.572 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.909 8.667 -0.593 1.00 0.00 C ATOM 0 H LEU A 55 4.162 11.014 1.584 1.00 0.00 H new ATOM 0 HA LEU A 55 6.560 9.983 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.572 12.038 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.890 11.415 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 55 3.349 10.118 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.564 9.137 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.730 10.909 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.175 9.878 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.264 7.851 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.905 8.532 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.973 8.668 0.495 1.00 0.00 H new ATOM 922 N GLY A 56 6.565 13.240 1.116 1.00 0.00 N ATOM 923 CA GLY A 56 7.444 14.380 1.309 1.00 0.00 C ATOM 924 C GLY A 56 6.692 15.695 1.252 1.00 0.00 C ATOM 925 O GLY A 56 5.858 15.981 2.111 1.00 0.00 O ATOM 0 H GLY A 56 5.572 13.442 1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.946 14.291 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.220 14.373 0.543 1.00 0.00 H new ATOM 929 N ARG A 57 6.982 16.496 0.232 1.00 0.00 N ATOM 930 CA ARG A 57 6.321 17.784 0.055 1.00 0.00 C ATOM 931 C ARG A 57 6.243 18.145 -1.422 1.00 0.00 C ATOM 932 O ARG A 57 6.281 19.318 -1.793 1.00 0.00 O ATOM 933 CB ARG A 57 7.060 18.878 0.827 1.00 0.00 C ATOM 934 CG ARG A 57 6.224 20.125 1.065 1.00 0.00 C ATOM 935 CD ARG A 57 7.047 21.392 0.893 1.00 0.00 C ATOM 936 NE ARG A 57 6.534 22.493 1.705 1.00 0.00 N ATOM 937 CZ ARG A 57 6.767 22.623 3.009 1.00 0.00 C ATOM 938 NH1 ARG A 57 7.502 21.725 3.652 1.00 0.00 N ATOM 939 NH2 ARG A 57 6.261 23.655 3.672 1.00 0.00 N ATOM 0 H ARG A 57 7.672 16.275 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 57 5.308 17.705 0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.383 18.478 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.960 19.154 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.384 20.139 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.805 20.096 2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.083 21.191 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.046 21.685 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 57 5.964 23.203 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.892 20.929 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.677 21.830 4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.694 24.347 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.439 23.756 4.671 1.00 0.00 H new ATOM 953 N ASP A 58 6.130 17.121 -2.258 1.00 0.00 N ATOM 954 CA ASP A 58 6.044 17.305 -3.698 1.00 0.00 C ATOM 955 C ASP A 58 4.740 16.708 -4.232 1.00 0.00 C ATOM 956 O ASP A 58 3.717 16.727 -3.548 1.00 0.00 O ATOM 957 CB ASP A 58 7.260 16.659 -4.373 1.00 0.00 C ATOM 958 CG ASP A 58 7.723 17.431 -5.593 1.00 0.00 C ATOM 959 OD1 ASP A 58 6.870 17.761 -6.445 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.937 17.704 -5.697 1.00 0.00 O ATOM 0 H ASP A 58 6.096 16.147 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 58 6.044 18.371 -3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.078 16.594 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.010 15.639 -4.665 1.00 0.00 H new ATOM 965 N THR A 59 4.778 16.175 -5.451 1.00 0.00 N ATOM 966 CA THR A 59 3.599 15.574 -6.059 1.00 0.00 C ATOM 967 C THR A 59 3.824 14.087 -6.317 1.00 0.00 C ATOM 968 O THR A 59 4.943 13.588 -6.192 1.00 0.00 O ATOM 969 CB THR A 59 3.254 16.283 -7.370 1.00 0.00 C ATOM 970 OG1 THR A 59 2.106 15.705 -7.965 1.00 0.00 O ATOM 971 CG2 THR A 59 4.371 16.236 -8.389 1.00 0.00 C ATOM 0 H THR A 59 5.614 16.148 -6.035 1.00 0.00 H new ATOM 0 HA THR A 59 2.765 15.686 -5.366 1.00 0.00 H new ATOM 0 HB THR A 59 3.077 17.323 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.900 16.173 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.060 16.757 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.258 16.719 -7.979 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.601 15.198 -8.629 1.00 0.00 H new ATOM 979 N GLN A 60 2.757 13.383 -6.680 1.00 0.00 N ATOM 980 CA GLN A 60 2.842 11.959 -6.955 1.00 0.00 C ATOM 981 C GLN A 60 3.543 11.715 -8.282 1.00 0.00 C ATOM 982 O GLN A 60 2.934 11.796 -9.349 1.00 0.00 O ATOM 983 CB GLN A 60 1.451 11.332 -6.982 1.00 0.00 C ATOM 984 CG GLN A 60 0.653 11.562 -5.709 1.00 0.00 C ATOM 985 CD GLN A 60 -0.819 11.804 -5.980 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.340 12.888 -5.717 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.498 10.792 -6.509 1.00 0.00 N ATOM 0 H GLN A 60 1.823 13.779 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 60 3.421 11.494 -6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.895 11.738 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.549 10.260 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.761 10.696 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.066 12.418 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.025 9.911 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.492 10.896 -6.713 1.00 0.00 H new ATOM 996 N ILE A 61 4.823 11.410 -8.195 1.00 0.00 N ATOM 997 CA ILE A 61 5.634 11.144 -9.382 1.00 0.00 C ATOM 998 C ILE A 61 5.411 9.725 -9.894 1.00 0.00 C ATOM 999 O ILE A 61 6.214 8.827 -9.642 1.00 0.00 O ATOM 1000 CB ILE A 61 7.146 11.356 -9.122 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.524 11.013 -7.675 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.537 12.790 -9.442 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.043 9.651 -7.222 1.00 0.00 C ATOM 0 H ILE A 61 5.332 11.338 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 61 5.311 11.861 -10.137 1.00 0.00 H new ATOM 0 HB ILE A 61 7.695 10.680 -9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.608 11.057 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.110 11.773 -7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.602 12.927 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.322 13.001 -10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.967 13.472 -8.811 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.349 9.482 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.956 9.608 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.477 8.881 -7.860 1.00 0.00 H new ATOM 1015 N GLY A 62 4.315 9.531 -10.619 1.00 0.00 N ATOM 1016 CA GLY A 62 4.006 8.220 -11.155 1.00 0.00 C ATOM 1017 C GLY A 62 3.687 7.211 -10.070 1.00 0.00 C ATOM 1018 O GLY A 62 3.797 6.004 -10.284 1.00 0.00 O ATOM 0 H GLY A 62 3.636 10.258 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.157 8.299 -11.834 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.852 7.862 -11.742 1.00 0.00 H new ATOM 1022 N LEU A 63 3.295 7.706 -8.898 1.00 0.00 N ATOM 1023 CA LEU A 63 2.961 6.838 -7.775 1.00 0.00 C ATOM 1024 C LEU A 63 1.845 5.870 -8.152 1.00 0.00 C ATOM 1025 O LEU A 63 0.824 6.268 -8.712 1.00 0.00 O ATOM 1026 CB LEU A 63 2.543 7.676 -6.563 1.00 0.00 C ATOM 1027 CG LEU A 63 3.182 7.259 -5.237 1.00 0.00 C ATOM 1028 CD1 LEU A 63 2.987 5.771 -4.996 1.00 0.00 C ATOM 1029 CD2 LEU A 63 4.661 7.613 -5.227 1.00 0.00 C ATOM 0 H LEU A 63 3.201 8.703 -8.703 1.00 0.00 H new ATOM 0 HA LEU A 63 3.847 6.258 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.793 8.719 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.459 7.622 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 63 2.692 7.804 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.448 5.492 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.921 5.545 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.452 5.207 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.101 7.310 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.165 7.094 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.778 8.689 -5.354 1.00 0.00 H new ATOM 1041 N THR A 64 2.049 4.592 -7.845 1.00 0.00 N ATOM 1042 CA THR A 64 1.061 3.569 -8.157 1.00 0.00 C ATOM 1043 C THR A 64 0.641 2.802 -6.906 1.00 0.00 C ATOM 1044 O THR A 64 1.316 2.849 -5.877 1.00 0.00 O ATOM 1045 CB THR A 64 1.617 2.599 -9.200 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.156 3.304 -10.305 1.00 0.00 O ATOM 1047 CG2 THR A 64 0.581 1.634 -9.734 1.00 0.00 C ATOM 0 H THR A 64 2.888 4.243 -7.382 1.00 0.00 H new ATOM 0 HA THR A 64 0.180 4.068 -8.561 1.00 0.00 H new ATOM 0 HB THR A 64 2.387 2.029 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.508 2.666 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.043 0.975 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.181 1.039 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.228 2.193 -10.205 1.00 0.00 H new ATOM 1055 N MET A 65 -0.477 2.094 -7.010 1.00 0.00 N ATOM 1056 CA MET A 65 -0.992 1.310 -5.898 1.00 0.00 C ATOM 1057 C MET A 65 -0.803 -0.181 -6.161 1.00 0.00 C ATOM 1058 O MET A 65 -0.758 -0.614 -7.312 1.00 0.00 O ATOM 1059 CB MET A 65 -2.473 1.620 -5.671 1.00 0.00 C ATOM 1060 CG MET A 65 -2.720 2.994 -5.070 1.00 0.00 C ATOM 1061 SD MET A 65 -4.169 3.810 -5.769 1.00 0.00 S ATOM 1062 CE MET A 65 -3.406 4.843 -7.019 1.00 0.00 C ATOM 0 H MET A 65 -1.045 2.048 -7.856 1.00 0.00 H new ATOM 0 HA MET A 65 -0.434 1.578 -5.001 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.001 1.548 -6.622 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.898 0.862 -5.012 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.848 2.897 -3.992 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.842 3.620 -5.232 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.176 5.412 -7.540 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.705 5.530 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.872 4.216 -7.733 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.676 -0.990 -5.095 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.720 -0.528 -3.710 1.00 0.00 C ATOM 1074 C PRO A 66 0.620 0.011 -3.222 1.00 0.00 C ATOM 1075 O PRO A 66 1.672 -0.577 -3.481 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.107 -1.791 -2.921 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.247 -2.884 -3.934 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.494 -2.436 -5.150 1.00 0.00 C ATOM 0 HA PRO A 66 -1.416 0.302 -3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.344 -2.039 -2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.040 -1.641 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.844 -3.822 -3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.296 -3.061 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.558 -2.718 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.902 -2.865 -6.065 1.00 0.00 H new ATOM 1086 N GLN A 67 0.569 1.122 -2.494 1.00 0.00 N ATOM 1087 CA GLN A 67 1.769 1.737 -1.947 1.00 0.00 C ATOM 1088 C GLN A 67 1.970 1.287 -0.503 1.00 0.00 C ATOM 1089 O GLN A 67 1.015 1.192 0.257 1.00 0.00 O ATOM 1090 CB GLN A 67 1.652 3.262 -2.026 1.00 0.00 C ATOM 1091 CG GLN A 67 2.716 4.006 -1.239 1.00 0.00 C ATOM 1092 CD GLN A 67 4.110 3.775 -1.781 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.419 4.144 -2.915 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.964 3.164 -0.970 1.00 0.00 N ATOM 0 H GLN A 67 -0.295 1.615 -2.270 1.00 0.00 H new ATOM 0 HA GLN A 67 2.635 1.424 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.709 3.567 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.669 3.560 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.496 5.073 -1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.679 3.690 -0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.665 2.875 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.919 2.983 -1.278 1.00 0.00 H new ATOM 1103 N VAL A 68 3.207 0.993 -0.124 1.00 0.00 N ATOM 1104 CA VAL A 68 3.474 0.540 1.233 1.00 0.00 C ATOM 1105 C VAL A 68 4.226 1.586 2.048 1.00 0.00 C ATOM 1106 O VAL A 68 4.934 2.432 1.501 1.00 0.00 O ATOM 1107 CB VAL A 68 4.264 -0.786 1.256 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.176 -1.429 2.632 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.754 -1.743 0.185 1.00 0.00 C ATOM 0 H VAL A 68 4.028 1.059 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 68 2.497 0.375 1.688 1.00 0.00 H new ATOM 0 HB VAL A 68 5.309 -0.565 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.738 -2.363 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.595 -0.753 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.133 -1.633 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.327 -2.669 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.701 -1.960 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.869 -1.285 -0.797 1.00 0.00 H new ATOM 1119 N PHE A 69 4.064 1.511 3.368 1.00 0.00 N ATOM 1120 CA PHE A 69 4.722 2.443 4.279 1.00 0.00 C ATOM 1121 C PHE A 69 5.148 1.730 5.559 1.00 0.00 C ATOM 1122 O PHE A 69 4.448 0.845 6.048 1.00 0.00 O ATOM 1123 CB PHE A 69 3.780 3.596 4.625 1.00 0.00 C ATOM 1124 CG PHE A 69 3.710 4.636 3.553 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.806 4.512 2.511 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.561 5.727 3.574 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.751 5.461 1.509 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.512 6.679 2.576 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.605 6.546 1.541 1.00 0.00 C ATOM 0 H PHE A 69 3.481 0.813 3.830 1.00 0.00 H new ATOM 0 HA PHE A 69 5.608 2.838 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.781 3.200 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.110 4.061 5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.137 3.664 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.271 5.835 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.041 5.355 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.181 7.526 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.564 7.289 0.759 1.00 0.00 H new ATOM 1139 N ALA A 70 6.302 2.116 6.094 1.00 0.00 N ATOM 1140 CA ALA A 70 6.818 1.508 7.315 1.00 0.00 C ATOM 1141 C ALA A 70 5.813 1.624 8.459 1.00 0.00 C ATOM 1142 O ALA A 70 4.974 2.525 8.470 1.00 0.00 O ATOM 1143 CB ALA A 70 8.141 2.150 7.705 1.00 0.00 C ATOM 0 H ALA A 70 6.897 2.846 5.702 1.00 0.00 H new ATOM 0 HA ALA A 70 6.983 0.448 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.515 1.687 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.865 2.007 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.992 3.216 7.874 1.00 0.00 H new ATOM 1149 N PRO A 71 5.893 0.716 9.447 1.00 0.00 N ATOM 1150 CA PRO A 71 4.994 0.718 10.603 1.00 0.00 C ATOM 1151 C PRO A 71 5.300 1.861 11.566 1.00 0.00 C ATOM 1152 O PRO A 71 4.481 2.203 12.418 1.00 0.00 O ATOM 1153 CB PRO A 71 5.245 -0.639 11.274 1.00 0.00 C ATOM 1154 CG PRO A 71 6.159 -1.395 10.362 1.00 0.00 C ATOM 1155 CD PRO A 71 6.868 -0.376 9.524 1.00 0.00 C ATOM 0 HA PRO A 71 3.955 0.863 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.697 -0.509 12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.310 -1.179 11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.871 -1.990 10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.596 -2.087 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.802 -0.053 9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.117 -0.766 8.537 1.00 0.00 H new ATOM 1163 N ASP A 72 6.482 2.453 11.418 1.00 0.00 N ATOM 1164 CA ASP A 72 6.897 3.563 12.269 1.00 0.00 C ATOM 1165 C ASP A 72 6.810 4.893 11.520 1.00 0.00 C ATOM 1166 O ASP A 72 6.981 5.959 12.113 1.00 0.00 O ATOM 1167 CB ASP A 72 8.326 3.342 12.767 1.00 0.00 C ATOM 1168 CG ASP A 72 9.306 3.118 11.633 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.698 4.109 10.982 1.00 0.00 O ATOM 1170 OD2 ASP A 72 9.682 1.951 11.394 1.00 0.00 O ATOM 0 H ASP A 72 7.170 2.182 10.715 1.00 0.00 H new ATOM 0 HA ASP A 72 6.220 3.603 13.122 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.642 4.207 13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.346 2.481 13.436 1.00 0.00 H new ATOM 1175 N GLY A 73 6.544 4.830 10.216 1.00 0.00 N ATOM 1176 CA GLY A 73 6.446 6.040 9.425 1.00 0.00 C ATOM 1177 C GLY A 73 7.590 6.184 8.440 1.00 0.00 C ATOM 1178 O GLY A 73 8.622 6.770 8.763 1.00 0.00 O ATOM 0 H GLY A 73 6.396 3.964 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.501 6.040 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.432 6.904 10.089 1.00 0.00 H new ATOM 1182 N SER A 74 7.407 5.650 7.236 1.00 0.00 N ATOM 1183 CA SER A 74 8.436 5.726 6.205 1.00 0.00 C ATOM 1184 C SER A 74 7.942 5.128 4.891 1.00 0.00 C ATOM 1185 O SER A 74 7.024 4.311 4.878 1.00 0.00 O ATOM 1186 CB SER A 74 9.704 5.002 6.662 1.00 0.00 C ATOM 1187 OG SER A 74 10.792 5.283 5.800 1.00 0.00 O ATOM 0 H SER A 74 6.558 5.161 6.951 1.00 0.00 H new ATOM 0 HA SER A 74 8.666 6.778 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.954 5.306 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.524 3.927 6.686 1.00 0.00 H new ATOM 0 HG SER A 74 11.590 4.810 6.115 1.00 0.00 H new ATOM 1193 N HIS A 75 8.559 5.548 3.792 1.00 0.00 N ATOM 1194 CA HIS A 75 8.196 5.066 2.461 1.00 0.00 C ATOM 1195 C HIS A 75 9.011 3.830 2.090 1.00 0.00 C ATOM 1196 O HIS A 75 10.240 3.848 2.149 1.00 0.00 O ATOM 1197 CB HIS A 75 8.433 6.175 1.434 1.00 0.00 C ATOM 1198 CG HIS A 75 7.753 5.949 0.121 1.00 0.00 C ATOM 1199 ND1 HIS A 75 8.279 6.341 -1.091 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.560 5.368 -0.158 1.00 0.00 C ATOM 1201 CE1 HIS A 75 7.408 5.995 -2.047 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.349 5.400 -1.535 1.00 0.00 N ATOM 0 H HIS A 75 9.320 6.227 3.796 1.00 0.00 H new ATOM 0 HA HIS A 75 7.141 4.790 2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.088 7.121 1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.505 6.274 1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 75 9.173 6.811 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.882 4.948 0.570 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.554 6.179 -3.101 1.00 0.00 H new ATOM 1210 N ILE A 76 8.323 2.757 1.707 1.00 0.00 N ATOM 1211 CA ILE A 76 8.997 1.517 1.328 1.00 0.00 C ATOM 1212 C ILE A 76 8.797 1.209 -0.153 1.00 0.00 C ATOM 1213 O ILE A 76 9.745 0.852 -0.853 1.00 0.00 O ATOM 1214 CB ILE A 76 8.499 0.318 2.157 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.544 0.641 3.650 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.332 -0.919 1.854 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.587 -0.194 4.469 1.00 0.00 C ATOM 0 H ILE A 76 7.305 2.720 1.651 1.00 0.00 H new ATOM 0 HA ILE A 76 10.057 1.670 1.528 1.00 0.00 H new ATOM 0 HB ILE A 76 7.464 0.115 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.558 0.486 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.310 1.696 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.968 -1.757 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.251 -1.162 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.375 -0.725 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.668 0.085 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.567 -0.020 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.834 -1.249 4.353 1.00 0.00 H new ATOM 1229 N GLY A 77 7.560 1.338 -0.625 1.00 0.00 N ATOM 1230 CA GLY A 77 7.272 1.064 -2.024 1.00 0.00 C ATOM 1231 C GLY A 77 6.185 0.024 -2.210 1.00 0.00 C ATOM 1232 O GLY A 77 5.296 -0.119 -1.370 1.00 0.00 O ATOM 0 H GLY A 77 6.755 1.626 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.971 1.989 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.182 0.723 -2.517 1.00 0.00 H new ATOM 1236 N GLY A 78 6.254 -0.696 -3.325 1.00 0.00 N ATOM 1237 CA GLY A 78 5.267 -1.722 -3.620 1.00 0.00 C ATOM 1238 C GLY A 78 5.759 -3.116 -3.274 1.00 0.00 C ATOM 1239 O GLY A 78 6.243 -3.350 -2.170 1.00 0.00 O ATOM 0 H GLY A 78 6.979 -0.587 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.353 -1.514 -3.063 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.011 -1.682 -4.679 1.00 0.00 H new ATOM 1243 N PHE A 79 5.642 -4.044 -4.221 1.00 0.00 N ATOM 1244 CA PHE A 79 6.087 -5.419 -4.005 1.00 0.00 C ATOM 1245 C PHE A 79 7.595 -5.535 -4.204 1.00 0.00 C ATOM 1246 O PHE A 79 8.338 -5.717 -3.241 1.00 0.00 O ATOM 1247 CB PHE A 79 5.346 -6.375 -4.941 1.00 0.00 C ATOM 1248 CG PHE A 79 5.255 -7.780 -4.413 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.358 -8.385 -3.841 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.073 -8.496 -4.498 1.00 0.00 C ATOM 1251 CE1 PHE A 79 6.288 -9.679 -3.366 1.00 0.00 C ATOM 1252 CE2 PHE A 79 3.997 -9.790 -4.026 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.107 -10.383 -3.460 1.00 0.00 C ATOM 0 H PHE A 79 5.244 -3.870 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 79 5.856 -5.696 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.339 -5.994 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.851 -6.390 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.286 -7.838 -3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.201 -8.036 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.158 -10.139 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.070 -10.338 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.050 -11.397 -3.091 1.00 0.00 H new ATOM 1263 N ASP A 80 8.050 -5.413 -5.448 1.00 0.00 N ATOM 1264 CA ASP A 80 9.479 -5.499 -5.744 1.00 0.00 C ATOM 1265 C ASP A 80 10.261 -4.538 -4.853 1.00 0.00 C ATOM 1266 O ASP A 80 11.275 -4.904 -4.252 1.00 0.00 O ATOM 1267 CB ASP A 80 9.739 -5.175 -7.216 1.00 0.00 C ATOM 1268 CG ASP A 80 11.132 -5.578 -7.657 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.307 -6.740 -8.079 1.00 0.00 O ATOM 1270 OD2 ASP A 80 12.048 -4.733 -7.579 1.00 0.00 O ATOM 0 H ASP A 80 7.456 -5.255 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 80 9.813 -6.517 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.002 -5.688 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.604 -4.106 -7.380 1.00 0.00 H new ATOM 1275 N GLN A 81 9.769 -3.307 -4.768 1.00 0.00 N ATOM 1276 CA GLN A 81 10.400 -2.281 -3.951 1.00 0.00 C ATOM 1277 C GLN A 81 10.470 -2.723 -2.494 1.00 0.00 C ATOM 1278 O GLN A 81 11.478 -2.514 -1.818 1.00 0.00 O ATOM 1279 CB GLN A 81 9.619 -0.970 -4.061 1.00 0.00 C ATOM 1280 CG GLN A 81 10.502 0.259 -4.203 1.00 0.00 C ATOM 1281 CD GLN A 81 10.101 1.131 -5.378 1.00 0.00 C ATOM 1282 OE1 GLN A 81 8.978 1.631 -5.438 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.018 1.311 -6.321 1.00 0.00 N ATOM 0 H GLN A 81 8.930 -2.996 -5.258 1.00 0.00 H new ATOM 0 HA GLN A 81 11.415 -2.125 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.950 -1.027 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.992 -0.856 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.452 0.846 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.539 -0.055 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.936 0.877 -6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.804 1.884 -7.138 1.00 0.00 H new ATOM 1292 N LEU A 82 9.391 -3.337 -2.017 1.00 0.00 N ATOM 1293 CA LEU A 82 9.330 -3.808 -0.641 1.00 0.00 C ATOM 1294 C LEU A 82 10.170 -5.063 -0.446 1.00 0.00 C ATOM 1295 O LEU A 82 10.807 -5.229 0.593 1.00 0.00 O ATOM 1296 CB LEU A 82 7.895 -4.058 -0.220 1.00 0.00 C ATOM 1297 CG LEU A 82 7.760 -4.623 1.184 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.722 -3.861 1.984 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.429 -6.091 1.103 1.00 0.00 C ATOM 0 H LEU A 82 8.549 -3.519 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 82 9.745 -3.025 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.340 -3.122 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.434 -4.749 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 82 8.709 -4.507 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.648 -4.288 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.016 -2.814 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.755 -3.932 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.332 -6.498 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.490 -6.223 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.226 -6.615 0.575 1.00 0.00 H new ATOM 1311 N ARG A 83 10.204 -5.933 -1.451 1.00 0.00 N ATOM 1312 CA ARG A 83 11.012 -7.147 -1.361 1.00 0.00 C ATOM 1313 C ARG A 83 12.432 -6.766 -0.969 1.00 0.00 C ATOM 1314 O ARG A 83 13.110 -7.499 -0.251 1.00 0.00 O ATOM 1315 CB ARG A 83 11.011 -7.898 -2.695 1.00 0.00 C ATOM 1316 CG ARG A 83 11.197 -9.399 -2.547 1.00 0.00 C ATOM 1317 CD ARG A 83 10.418 -10.162 -3.605 1.00 0.00 C ATOM 1318 NE ARG A 83 10.486 -11.607 -3.399 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.681 -12.481 -3.998 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.746 -12.061 -4.843 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.810 -13.777 -3.752 1.00 0.00 N ATOM 0 H ARG A 83 9.690 -5.824 -2.325 1.00 0.00 H new ATOM 0 HA ARG A 83 10.587 -7.808 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.070 -7.706 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.807 -7.502 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.256 -9.645 -2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.869 -9.712 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.376 -9.842 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.811 -9.918 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 83 11.193 -11.967 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.643 -11.065 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.131 -12.735 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.526 -14.104 -3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.193 -14.447 -4.211 1.00 0.00 H new ATOM 1335 N GLU A 84 12.858 -5.591 -1.427 1.00 0.00 N ATOM 1336 CA GLU A 84 14.182 -5.080 -1.102 1.00 0.00 C ATOM 1337 C GLU A 84 14.231 -4.712 0.378 1.00 0.00 C ATOM 1338 O GLU A 84 15.253 -4.884 1.042 1.00 0.00 O ATOM 1339 CB GLU A 84 14.514 -3.860 -1.963 1.00 0.00 C ATOM 1340 CG GLU A 84 15.391 -4.183 -3.163 1.00 0.00 C ATOM 1341 CD GLU A 84 14.715 -5.123 -4.141 1.00 0.00 C ATOM 1342 OE1 GLU A 84 14.790 -6.352 -3.933 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.108 -4.630 -5.115 1.00 0.00 O ATOM 0 H GLU A 84 12.304 -4.977 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 84 14.923 -5.852 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.585 -3.409 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.017 -3.116 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.654 -3.258 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.322 -4.632 -2.818 1.00 0.00 H new ATOM 1350 N TYR A 85 13.099 -4.228 0.890 1.00 0.00 N ATOM 1351 CA TYR A 85 12.981 -3.859 2.292 1.00 0.00 C ATOM 1352 C TYR A 85 13.106 -5.108 3.158 1.00 0.00 C ATOM 1353 O TYR A 85 13.622 -5.063 4.274 1.00 0.00 O ATOM 1354 CB TYR A 85 11.630 -3.178 2.530 1.00 0.00 C ATOM 1355 CG TYR A 85 11.461 -2.583 3.909 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.042 -3.365 4.978 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.703 -1.235 4.137 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.874 -2.821 6.237 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.536 -0.683 5.392 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.121 -1.480 6.440 1.00 0.00 C ATOM 1361 OH TYR A 85 10.953 -0.933 7.691 1.00 0.00 O ATOM 0 H TYR A 85 12.248 -4.083 0.347 1.00 0.00 H new ATOM 0 HA TYR A 85 13.777 -3.164 2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.500 -2.389 1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.836 -3.906 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.844 -4.415 4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.027 -0.608 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.551 -3.443 7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.729 0.367 5.553 1.00 0.00 H new ATOM 0 HH TYR A 85 11.170 0.022 7.662 1.00 0.00 H new ATOM 1371 N PHE A 86 12.637 -6.227 2.610 1.00 0.00 N ATOM 1372 CA PHE A 86 12.685 -7.517 3.289 1.00 0.00 C ATOM 1373 C PHE A 86 13.881 -8.351 2.832 1.00 0.00 C ATOM 1374 O PHE A 86 14.175 -9.395 3.415 1.00 0.00 O ATOM 1375 CB PHE A 86 11.380 -8.277 3.040 1.00 0.00 C ATOM 1376 CG PHE A 86 10.282 -7.877 3.982 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.373 -8.174 5.331 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.171 -7.193 3.523 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.374 -7.795 6.207 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.165 -6.813 4.394 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.269 -7.115 5.737 1.00 0.00 C ATOM 0 H PHE A 86 12.213 -6.263 1.683 1.00 0.00 H new ATOM 0 HA PHE A 86 12.803 -7.335 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.054 -8.102 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.564 -9.347 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.235 -8.708 5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.088 -6.953 2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.458 -8.031 7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.301 -6.282 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.486 -6.819 6.419 1.00 0.00 H new ATOM 1391 N LYS A 87 14.567 -7.890 1.789 1.00 0.00 N ATOM 1392 CA LYS A 87 15.730 -8.600 1.265 1.00 0.00 C ATOM 1393 C LYS A 87 16.773 -7.621 0.740 1.00 0.00 C ATOM 1394 O LYS A 87 17.811 -7.447 1.412 1.00 0.00 O ATOM 1395 CB LYS A 87 15.307 -9.559 0.150 1.00 0.00 C ATOM 1396 CG LYS A 87 14.220 -10.537 0.565 1.00 0.00 C ATOM 1397 CD LYS A 87 14.270 -11.809 -0.265 1.00 0.00 C ATOM 1398 CE LYS A 87 14.945 -12.942 0.490 1.00 0.00 C ATOM 1399 NZ LYS A 87 16.397 -12.687 0.695 1.00 0.00 N ATOM 1400 OXT LYS A 87 16.546 -7.038 -0.340 1.00 0.00 O ATOM 0 H LYS A 87 14.338 -7.030 1.291 1.00 0.00 H new ATOM 0 HA LYS A 87 16.173 -9.173 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.955 -8.978 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.179 -10.120 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.335 -10.785 1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.243 -10.066 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.258 -12.106 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.808 -11.618 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.460 -13.073 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.815 -13.873 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.820 -13.483 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.866 -12.587 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.522 -11.812 1.243 1.00 0.00 H new