USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -71:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -53:sc= 1.08 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.69 K(o=2.8,f=-6.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.467 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0507 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -175:sc= 1.14 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.17 (180deg=2.05) USER MOD Single : A 2 GLN : amide:sc= -1.85! K(o=-1.8!,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 2.13 (180deg=1.57) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.96) USER MOD Single : A 41 GLN : amide:sc= 0.173 K(o=0.17,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.756 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.022 K(o=-0.022,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.512 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.946 -7.040 -5.432 1.00 9.67 N ATOM 2 CA MET A 1 11.087 -7.355 -4.037 1.00 10.38 C ATOM 3 C MET A 1 9.721 -7.658 -3.405 1.00 9.62 C ATOM 4 O MET A 1 8.706 -7.203 -3.889 1.00 9.62 O ATOM 5 CB MET A 1 11.874 -6.193 -3.271 1.00 13.77 C ATOM 6 CG MET A 1 10.999 -4.957 -2.998 1.00 16.29 C ATOM 7 SD MET A 1 11.967 -3.756 -2.060 1.00 17.17 S ATOM 8 CE MET A 1 10.660 -2.571 -1.584 1.00 16.11 C ATOM 0 H1 MET A 1 11.824 -7.283 -5.933 1.00 9.67 H new ATOM 0 H2 MET A 1 10.156 -7.585 -5.833 1.00 9.67 H new ATOM 0 H3 MET A 1 10.755 -6.023 -5.541 1.00 9.67 H new ATOM 0 HA MET A 1 11.686 -8.260 -3.940 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.253 -6.580 -2.325 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.739 -5.896 -3.863 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.661 -4.519 -3.937 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.107 -5.242 -2.440 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.097 -1.764 -0.996 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.199 -2.158 -2.481 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.903 -3.083 -0.990 1.00 16.11 H new ATOM 20 N GLN A 2 9.721 -8.390 -2.315 1.00 9.27 N ATOM 21 CA GLN A 2 8.562 -8.878 -1.682 1.00 9.07 C ATOM 22 C GLN A 2 8.123 -7.906 -0.591 1.00 8.72 C ATOM 23 O GLN A 2 8.942 -7.513 0.267 1.00 8.22 O ATOM 24 CB GLN A 2 9.021 -10.294 -1.056 1.00 14.46 C ATOM 25 CG GLN A 2 7.768 -11.016 -0.579 1.00 17.01 C ATOM 26 CD GLN A 2 8.002 -12.411 -0.040 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.484 -13.457 -0.474 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.783 -12.469 1.034 1.00 19.49 N ATOM 0 H GLN A 2 10.581 -8.663 -1.839 1.00 9.27 H new ATOM 0 HA GLN A 2 7.714 -8.989 -2.358 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.545 -10.890 -1.803 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.713 -10.140 -0.228 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.295 -10.416 0.199 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.063 -11.076 -1.408 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.213 -11.619 1.399 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.953 -13.364 1.494 1.00 19.49 H new ATOM 37 N ILE A 3 6.772 -7.501 -0.551 1.00 5.87 N ATOM 38 CA ILE A 3 6.292 -6.717 0.569 1.00 5.07 C ATOM 39 C ILE A 3 5.045 -7.402 1.057 1.00 4.01 C ATOM 40 O ILE A 3 4.386 -8.255 0.404 1.00 4.61 O ATOM 41 CB ILE A 3 6.055 -5.193 0.336 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.844 -4.899 -0.656 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.410 -4.575 -0.183 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.546 -3.389 -0.980 1.00 10.83 C ATOM 0 H ILE A 3 6.075 -7.717 -1.264 1.00 5.87 H new ATOM 0 HA ILE A 3 7.094 -6.693 1.307 1.00 5.07 H new ATOM 0 HB ILE A 3 5.761 -4.724 1.275 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.041 -5.416 -1.595 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.942 -5.340 -0.232 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.280 -3.507 -0.357 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.189 -4.729 0.563 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.699 -5.062 -1.115 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.701 -3.324 -1.665 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.308 -2.859 -0.058 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.423 -2.936 -1.442 1.00 10.83 H new ATOM 56 N PHE A 4 4.711 -7.175 2.346 1.00 4.55 N ATOM 57 CA PHE A 4 3.533 -7.762 2.983 1.00 4.68 C ATOM 58 C PHE A 4 2.545 -6.570 3.291 1.00 5.30 C ATOM 59 O PHE A 4 2.845 -5.461 3.558 1.00 5.58 O ATOM 60 CB PHE A 4 3.725 -8.469 4.315 1.00 4.83 C ATOM 61 CG PHE A 4 4.988 -9.257 4.356 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.155 -10.321 3.491 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.021 -9.012 5.279 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.295 -11.159 3.574 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.150 -9.901 5.408 1.00 10.61 C ATOM 66 CZ PHE A 4 7.210 -10.984 4.549 1.00 8.90 C ATOM 0 H PHE A 4 5.257 -6.578 2.967 1.00 4.55 H new ATOM 0 HA PHE A 4 3.195 -8.525 2.282 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.732 -7.732 5.118 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.879 -9.132 4.498 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.405 -10.517 2.739 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.968 -8.135 5.908 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.432 -11.947 2.848 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.919 -9.728 6.147 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.007 -11.705 4.662 1.00 8.90 H new ATOM 76 N VAL A 5 1.226 -6.856 3.155 1.00 4.44 N ATOM 77 CA VAL A 5 0.170 -5.857 3.393 1.00 3.87 C ATOM 78 C VAL A 5 -0.812 -6.493 4.314 1.00 4.93 C ATOM 79 O VAL A 5 -1.030 -7.704 4.244 1.00 6.84 O ATOM 80 CB VAL A 5 -0.479 -5.453 2.107 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.417 -4.252 2.382 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.583 -4.896 1.174 1.00 9.13 C ATOM 0 H VAL A 5 0.875 -7.774 2.881 1.00 4.44 H new ATOM 0 HA VAL A 5 0.580 -4.947 3.832 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.000 -6.315 1.689 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.898 -3.946 1.453 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.178 -4.543 3.106 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.836 -3.421 2.781 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.121 -4.598 0.233 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.055 -4.029 1.636 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.336 -5.660 0.982 1.00 9.13 H new ATOM 92 N LYS A 6 -1.353 -5.760 5.275 1.00 6.04 N ATOM 93 CA LYS A 6 -2.346 -6.269 6.262 1.00 6.12 C ATOM 94 C LYS A 6 -3.764 -5.767 6.047 1.00 6.57 C ATOM 95 O LYS A 6 -4.026 -4.518 6.036 1.00 5.76 O ATOM 96 CB LYS A 6 -1.885 -5.939 7.692 1.00 7.45 C ATOM 97 CG LYS A 6 -1.805 -7.200 8.538 1.00 11.12 C ATOM 98 CD LYS A 6 -0.870 -8.348 8.032 1.00 14.54 C ATOM 99 CE LYS A 6 -0.647 -9.435 9.087 1.00 18.84 C ATOM 100 NZ LYS A 6 0.301 -10.571 8.655 1.00 20.55 N ATOM 0 H LYS A 6 -1.123 -4.775 5.410 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.386 -7.347 6.109 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.910 -5.454 7.662 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.578 -5.233 8.149 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.477 -6.915 9.538 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.812 -7.604 8.636 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.304 -8.798 7.139 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.092 -7.926 7.741 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.247 -8.970 9.988 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.612 -9.867 9.352 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.327 -11.302 9.395 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.041 -10.990 7.767 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.258 -10.189 8.512 1.00 20.55 H new ATOM 114 N THR A 7 -4.770 -6.634 5.830 1.00 7.41 N ATOM 115 CA THR A 7 -6.167 -6.212 5.696 1.00 7.48 C ATOM 116 C THR A 7 -6.844 -5.698 6.995 1.00 8.75 C ATOM 117 O THR A 7 -6.190 -5.645 8.054 1.00 8.58 O ATOM 118 CB THR A 7 -7.107 -7.230 5.017 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.149 -8.397 5.796 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.387 -7.630 3.760 1.00 9.17 C ATOM 0 H THR A 7 -4.633 -7.641 5.744 1.00 7.41 H new ATOM 0 HA THR A 7 -6.040 -5.363 5.024 1.00 7.48 H new ATOM 0 HB THR A 7 -8.105 -6.817 4.868 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.745 -9.051 5.374 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.988 -8.356 3.212 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.225 -6.750 3.138 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.426 -8.075 4.017 1.00 9.17 H new ATOM 128 N LEU A 8 -8.132 -5.255 6.946 1.00 9.84 N ATOM 129 CA LEU A 8 -8.901 -4.917 8.123 1.00 14.15 C ATOM 130 C LEU A 8 -8.988 -6.052 9.125 1.00 17.37 C ATOM 131 O LEU A 8 -8.923 -5.744 10.325 1.00 17.01 O ATOM 132 CB LEU A 8 -10.342 -4.478 7.794 1.00 16.63 C ATOM 133 CG LEU A 8 -10.583 -3.209 6.924 1.00 18.88 C ATOM 134 CD1 LEU A 8 -12.101 -3.000 6.559 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.018 -1.903 7.384 1.00 18.59 C ATOM 0 H LEU A 8 -8.645 -5.131 6.073 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.351 -4.084 8.561 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.831 -5.314 7.293 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.860 -4.327 8.741 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.989 -3.473 6.049 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.209 -2.101 5.952 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.462 -3.862 5.998 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.684 -2.892 7.474 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.275 -1.123 6.668 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.433 -1.651 8.360 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.934 -1.982 7.460 1.00 18.59 H new ATOM 147 N THR A 9 -9.172 -7.335 8.726 1.00 18.33 N ATOM 148 CA THR A 9 -9.271 -8.523 9.551 1.00 19.24 C ATOM 149 C THR A 9 -7.927 -9.187 9.664 1.00 19.48 C ATOM 150 O THR A 9 -7.734 -10.177 10.320 1.00 23.14 O ATOM 151 CB THR A 9 -10.311 -9.455 8.973 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.185 -9.568 7.607 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.655 -8.723 9.088 1.00 19.70 C ATOM 0 H THR A 9 -9.260 -7.563 7.736 1.00 18.33 H new ATOM 0 HA THR A 9 -9.586 -8.249 10.558 1.00 19.24 H new ATOM 0 HB THR A 9 -10.220 -10.415 9.481 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.871 -10.179 7.265 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.448 -9.352 8.684 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.863 -8.506 10.136 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.610 -7.790 8.526 1.00 19.70 H new ATOM 161 N GLY A 10 -6.831 -8.582 9.094 1.00 19.43 N ATOM 162 CA GLY A 10 -5.464 -8.904 9.464 1.00 18.74 C ATOM 163 C GLY A 10 -4.912 -10.017 8.645 1.00 17.62 C ATOM 164 O GLY A 10 -4.121 -10.814 9.129 1.00 19.74 O ATOM 0 H GLY A 10 -6.902 -7.865 8.372 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.838 -8.020 9.343 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.429 -9.178 10.518 1.00 18.74 H new ATOM 168 N LYS A 11 -5.330 -10.192 7.385 1.00 13.56 N ATOM 169 CA LYS A 11 -4.791 -11.214 6.492 1.00 11.91 C ATOM 170 C LYS A 11 -3.640 -10.620 5.755 1.00 10.18 C ATOM 171 O LYS A 11 -3.630 -9.385 5.491 1.00 9.10 O ATOM 172 CB LYS A 11 -5.857 -11.513 5.425 1.00 13.43 C ATOM 173 CG LYS A 11 -5.533 -12.582 4.340 1.00 16.69 C ATOM 174 CD LYS A 11 -6.801 -13.203 3.743 1.00 17.92 C ATOM 175 CE LYS A 11 -6.584 -14.389 2.765 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.842 -14.602 2.072 1.00 21.93 N ATOM 0 H LYS A 11 -6.059 -9.621 6.957 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.506 -12.101 7.058 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.765 -11.826 5.940 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.087 -10.578 4.913 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.946 -12.123 3.544 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -4.917 -13.367 4.778 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.434 -13.545 4.562 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.352 -12.422 3.219 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.787 -14.164 2.057 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.285 -15.286 3.307 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.741 -15.392 1.403 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.586 -14.827 2.763 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.102 -13.740 1.552 1.00 21.93 H new ATOM 190 N THR A 12 -2.632 -11.429 5.326 1.00 9.63 N ATOM 191 CA THR A 12 -1.482 -10.928 4.628 1.00 9.85 C ATOM 192 C THR A 12 -1.776 -11.016 3.106 1.00 11.66 C ATOM 193 O THR A 12 -2.176 -12.069 2.617 1.00 12.33 O ATOM 194 CB THR A 12 -0.209 -11.699 4.898 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.032 -11.977 6.306 1.00 10.91 O ATOM 196 CG2 THR A 12 1.066 -10.977 4.455 1.00 9.63 C ATOM 0 H THR A 12 -2.622 -12.439 5.469 1.00 9.63 H new ATOM 0 HA THR A 12 -1.316 -9.909 4.979 1.00 9.85 H new ATOM 0 HB THR A 12 -0.340 -12.610 4.314 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.800 -12.478 6.439 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.933 -11.596 4.684 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.025 -10.792 3.382 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.149 -10.027 4.984 1.00 9.63 H new ATOM 204 N ILE A 13 -1.608 -9.893 2.355 1.00 10.42 N ATOM 205 CA ILE A 13 -1.455 -9.836 0.877 1.00 11.84 C ATOM 206 C ILE A 13 0.013 -9.900 0.673 1.00 10.55 C ATOM 207 O ILE A 13 0.802 -9.136 1.270 1.00 11.92 O ATOM 208 CB ILE A 13 -2.133 -8.662 0.286 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.184 -8.114 1.306 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.798 -8.899 -1.105 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.971 -6.963 0.702 1.00 16.46 C ATOM 0 H ILE A 13 -1.574 -8.967 2.781 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.947 -10.655 0.352 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.348 -7.932 0.090 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.865 -8.913 1.598 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.679 -7.779 2.212 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.266 -7.976 -1.447 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.039 -9.208 -1.823 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.555 -9.679 -1.018 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.696 -6.597 1.429 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.288 -6.157 0.433 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.494 -7.308 -0.190 1.00 16.46 H new ATOM 223 N THR A 14 0.497 -10.749 -0.204 1.00 9.39 N ATOM 224 CA THR A 14 1.963 -10.822 -0.549 1.00 9.63 C ATOM 225 C THR A 14 2.077 -10.405 -1.957 1.00 11.20 C ATOM 226 O THR A 14 1.558 -11.064 -2.838 1.00 11.63 O ATOM 227 CB THR A 14 2.644 -12.204 -0.315 1.00 10.38 C ATOM 228 OG1 THR A 14 2.299 -12.797 0.964 1.00 16.30 O ATOM 229 CG2 THR A 14 4.205 -12.105 -0.352 1.00 11.66 C ATOM 0 H THR A 14 -0.080 -11.418 -0.714 1.00 9.39 H new ATOM 0 HA THR A 14 2.504 -10.166 0.133 1.00 9.63 H new ATOM 0 HB THR A 14 2.272 -12.827 -1.129 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.752 -13.661 1.057 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.636 -13.092 -0.184 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.523 -11.731 -1.325 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.545 -11.423 0.428 1.00 11.66 H new ATOM 237 N LEU A 15 2.744 -9.225 -2.111 1.00 8.29 N ATOM 238 CA LEU A 15 2.882 -8.445 -3.308 1.00 9.03 C ATOM 239 C LEU A 15 4.289 -8.356 -3.736 1.00 8.59 C ATOM 240 O LEU A 15 5.183 -8.684 -2.959 1.00 7.79 O ATOM 241 CB LEU A 15 2.432 -6.943 -3.126 1.00 11.08 C ATOM 242 CG LEU A 15 1.083 -6.814 -2.484 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.848 -5.298 -2.300 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.039 -7.370 -3.304 1.00 15.27 C ATOM 0 H LEU A 15 3.224 -8.789 -1.323 1.00 8.29 H new ATOM 0 HA LEU A 15 2.251 -8.960 -4.032 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.170 -6.419 -2.519 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.414 -6.453 -4.100 1.00 11.08 H new ATOM 0 HG LEU A 15 1.085 -7.382 -1.554 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.124 -5.134 -1.834 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.630 -4.883 -1.664 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.872 -4.805 -3.272 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.980 -7.238 -2.770 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.087 -6.846 -4.258 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.131 -8.432 -3.481 1.00 15.27 H new ATOM 256 N GLU A 16 4.536 -8.054 -4.972 1.00 11.04 N ATOM 257 CA GLU A 16 5.807 -7.926 -5.567 1.00 11.50 C ATOM 258 C GLU A 16 6.011 -6.545 -6.168 1.00 10.13 C ATOM 259 O GLU A 16 5.190 -6.108 -7.011 1.00 9.83 O ATOM 260 CB GLU A 16 5.919 -8.946 -6.683 1.00 17.22 C ATOM 261 CG GLU A 16 7.275 -8.910 -7.435 1.00 23.33 C ATOM 262 CD GLU A 16 8.431 -9.244 -6.496 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.270 -10.189 -5.716 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.539 -8.692 -6.689 1.00 28.90 O ATOM 0 H GLU A 16 3.783 -7.878 -5.637 1.00 11.04 H new ATOM 0 HA GLU A 16 6.561 -8.084 -4.796 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.772 -9.943 -6.267 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.114 -8.777 -7.398 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.256 -9.621 -8.261 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.428 -7.922 -7.869 1.00 23.33 H new ATOM 271 N VAL A 17 7.028 -5.804 -5.752 1.00 8.99 N ATOM 272 CA VAL A 17 7.249 -4.417 -5.949 1.00 8.85 C ATOM 273 C VAL A 17 8.664 -4.157 -6.285 1.00 8.04 C ATOM 274 O VAL A 17 9.599 -4.901 -6.011 1.00 8.99 O ATOM 275 CB VAL A 17 6.857 -3.469 -4.788 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.322 -3.605 -4.512 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.583 -3.851 -3.479 1.00 10.54 C ATOM 0 H VAL A 17 7.786 -6.224 -5.214 1.00 8.99 H new ATOM 0 HA VAL A 17 6.569 -4.182 -6.768 1.00 8.85 H new ATOM 0 HB VAL A 17 7.133 -2.456 -5.082 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.039 -2.940 -3.696 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.766 -3.335 -5.410 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.091 -4.635 -4.238 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.286 -3.166 -2.685 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.316 -4.870 -3.199 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.661 -3.787 -3.629 1.00 10.54 H new ATOM 287 N GLU A 18 8.964 -3.040 -6.931 1.00 7.29 N ATOM 288 CA GLU A 18 10.295 -2.491 -6.950 1.00 7.08 C ATOM 289 C GLU A 18 10.331 -1.373 -6.013 1.00 6.45 C ATOM 290 O GLU A 18 9.270 -0.861 -5.694 1.00 5.28 O ATOM 291 CB GLU A 18 10.739 -1.966 -8.373 1.00 10.28 C ATOM 292 CG GLU A 18 10.747 -2.987 -9.552 1.00 12.65 C ATOM 293 CD GLU A 18 11.401 -2.474 -10.866 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.783 -1.557 -11.476 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.507 -2.962 -11.217 1.00 14.33 O ATOM 0 H GLU A 18 8.282 -2.493 -7.456 1.00 7.29 H new ATOM 0 HA GLU A 18 10.984 -3.290 -6.677 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.080 -1.142 -8.647 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.744 -1.553 -8.280 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.273 -3.886 -9.230 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.719 -3.279 -9.766 1.00 12.65 H new ATOM 302 N PRO A 19 11.468 -0.929 -5.492 1.00 7.24 N ATOM 303 CA PRO A 19 11.441 0.122 -4.489 1.00 7.07 C ATOM 304 C PRO A 19 11.113 1.451 -5.082 1.00 6.65 C ATOM 305 O PRO A 19 10.785 2.357 -4.292 1.00 6.37 O ATOM 306 CB PRO A 19 12.812 0.032 -3.788 1.00 7.61 C ATOM 307 CG PRO A 19 13.726 -0.458 -4.851 1.00 8.16 C ATOM 308 CD PRO A 19 12.808 -1.482 -5.627 1.00 7.49 C ATOM 0 HA PRO A 19 10.645 -0.004 -3.756 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.129 1.002 -3.405 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.783 -0.652 -2.940 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.072 0.350 -5.496 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.613 -0.938 -4.437 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.101 -1.567 -6.673 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.872 -2.481 -5.196 1.00 7.49 H new ATOM 316 N SER A 20 11.256 1.665 -6.427 1.00 6.80 N ATOM 317 CA SER A 20 10.941 2.863 -7.186 1.00 6.28 C ATOM 318 C SER A 20 9.541 2.790 -7.690 1.00 8.45 C ATOM 319 O SER A 20 9.065 3.709 -8.331 1.00 7.26 O ATOM 320 CB SER A 20 11.907 3.055 -8.409 1.00 8.57 C ATOM 321 OG SER A 20 13.274 3.255 -8.032 1.00 11.13 O ATOM 0 H SER A 20 11.625 0.931 -7.032 1.00 6.80 H new ATOM 0 HA SER A 20 11.063 3.712 -6.514 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.841 2.179 -9.055 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.572 3.910 -8.996 1.00 8.57 H new ATOM 0 HG SER A 20 13.822 3.366 -8.837 1.00 11.13 H new ATOM 327 N ASP A 21 8.762 1.785 -7.352 1.00 7.50 N ATOM 328 CA ASP A 21 7.371 1.839 -7.460 1.00 7.70 C ATOM 329 C ASP A 21 6.763 2.852 -6.472 1.00 7.08 C ATOM 330 O ASP A 21 7.228 3.169 -5.353 1.00 8.11 O ATOM 331 CB ASP A 21 6.788 0.458 -7.184 1.00 11.00 C ATOM 332 CG ASP A 21 7.062 -0.503 -8.283 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.586 -0.113 -9.379 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.583 -1.698 -8.255 1.00 18.03 O ATOM 0 H ASP A 21 9.114 0.899 -6.989 1.00 7.50 H new ATOM 0 HA ASP A 21 7.125 2.162 -8.472 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.204 0.070 -6.254 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.711 0.544 -7.040 1.00 11.00 H new ATOM 339 N THR A 22 5.689 3.443 -6.936 1.00 5.37 N ATOM 340 CA THR A 22 4.868 4.385 -6.119 1.00 6.01 C ATOM 341 C THR A 22 3.906 3.606 -5.268 1.00 8.01 C ATOM 342 O THR A 22 3.582 2.447 -5.529 1.00 8.11 O ATOM 343 CB THR A 22 4.112 5.394 -6.932 1.00 8.92 C ATOM 344 OG1 THR A 22 3.182 4.828 -7.880 1.00 10.22 O ATOM 345 CG2 THR A 22 5.161 6.290 -7.700 1.00 9.65 C ATOM 0 H THR A 22 5.337 3.304 -7.883 1.00 5.37 H new ATOM 0 HA THR A 22 5.569 4.948 -5.503 1.00 6.01 H new ATOM 0 HB THR A 22 3.504 5.971 -6.235 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.646 4.172 -8.441 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.635 7.033 -8.300 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.805 6.795 -6.980 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.768 5.662 -8.352 1.00 9.65 H new ATOM 353 N ILE A 23 3.316 4.315 -4.259 1.00 8.32 N ATOM 354 CA ILE A 23 2.277 3.840 -3.404 1.00 9.92 C ATOM 355 C ILE A 23 1.054 3.517 -4.290 1.00 10.01 C ATOM 356 O ILE A 23 0.399 2.546 -4.026 1.00 8.71 O ATOM 357 CB ILE A 23 1.965 4.902 -2.271 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.269 5.149 -1.452 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.844 4.282 -1.414 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.900 3.998 -0.680 1.00 12.30 C ATOM 0 H ILE A 23 3.592 5.273 -4.042 1.00 8.32 H new ATOM 0 HA ILE A 23 2.575 2.932 -2.881 1.00 9.92 H new ATOM 0 HB ILE A 23 1.642 5.868 -2.658 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.021 5.530 -2.143 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.060 5.945 -0.738 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.580 4.968 -0.609 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.031 4.099 -2.037 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.190 3.340 -0.989 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.797 4.350 -0.171 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.190 3.620 0.055 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.166 3.198 -1.372 1.00 12.30 H new ATOM 372 N GLU A 24 0.720 4.363 -5.360 1.00 9.54 N ATOM 373 CA GLU A 24 -0.231 4.092 -6.402 1.00 11.81 C ATOM 374 C GLU A 24 -0.068 2.768 -7.231 1.00 11.14 C ATOM 375 O GLU A 24 -0.980 2.057 -7.564 1.00 10.62 O ATOM 376 CB GLU A 24 -0.230 5.252 -7.500 1.00 19.24 C ATOM 377 CG GLU A 24 -1.275 5.004 -8.597 1.00 27.76 C ATOM 378 CD GLU A 24 -1.510 6.146 -9.609 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.548 6.600 -10.247 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.714 6.500 -9.789 1.00 36.51 O ATOM 0 H GLU A 24 1.158 5.277 -5.470 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.147 4.006 -5.817 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.431 6.209 -7.017 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.760 5.324 -7.951 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.979 4.114 -9.152 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.226 4.777 -8.115 1.00 27.76 H new ATOM 387 N ASN A 25 1.219 2.406 -7.498 1.00 9.43 N ATOM 388 CA ASN A 25 1.618 1.142 -8.149 1.00 10.96 C ATOM 389 C ASN A 25 1.283 0.027 -7.127 1.00 9.68 C ATOM 390 O ASN A 25 0.659 -1.002 -7.460 1.00 9.33 O ATOM 391 CB ASN A 25 3.119 0.953 -8.533 1.00 16.78 C ATOM 392 CG ASN A 25 3.427 1.974 -9.620 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.330 2.817 -9.414 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.972 1.734 -10.861 1.00 24.70 N ATOM 0 H ASN A 25 2.014 2.999 -7.260 1.00 9.43 H new ATOM 0 HA ASN A 25 1.088 1.125 -9.101 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.762 1.105 -7.666 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.302 -0.060 -8.891 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.363 2.242 -11.655 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.236 1.044 -11.010 1.00 24.70 H new ATOM 401 N VAL A 26 1.612 0.208 -5.813 1.00 6.52 N ATOM 402 CA VAL A 26 1.200 -0.684 -4.740 1.00 5.53 C ATOM 403 C VAL A 26 -0.348 -0.831 -4.728 1.00 4.42 C ATOM 404 O VAL A 26 -0.926 -1.917 -4.704 1.00 3.40 O ATOM 405 CB VAL A 26 1.769 -0.368 -3.372 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.466 -1.528 -2.396 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.264 -0.108 -3.291 1.00 8.12 C ATOM 0 H VAL A 26 2.178 0.993 -5.490 1.00 6.52 H new ATOM 0 HA VAL A 26 1.648 -1.651 -4.970 1.00 5.53 H new ATOM 0 HB VAL A 26 1.278 0.570 -3.112 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.878 -1.294 -1.414 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.387 -1.663 -2.314 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.919 -2.446 -2.770 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.541 0.105 -2.259 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.806 -0.988 -3.637 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.519 0.746 -3.919 1.00 8.12 H new ATOM 417 N LYS A 27 -1.137 0.294 -4.817 1.00 2.64 N ATOM 418 CA LYS A 27 -2.625 0.259 -4.844 1.00 4.14 C ATOM 419 C LYS A 27 -3.262 -0.353 -6.063 1.00 5.58 C ATOM 420 O LYS A 27 -4.408 -0.903 -5.976 1.00 4.11 O ATOM 421 CB LYS A 27 -3.244 1.653 -4.601 1.00 3.97 C ATOM 422 CG LYS A 27 -2.855 2.284 -3.243 1.00 7.45 C ATOM 423 CD LYS A 27 -3.462 3.719 -3.125 1.00 9.02 C ATOM 424 CE LYS A 27 -3.128 4.393 -1.738 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.654 5.742 -1.573 1.00 15.47 N ATOM 0 H LYS A 27 -0.752 1.237 -4.871 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.853 -0.416 -4.019 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.934 2.322 -5.404 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.330 1.572 -4.655 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.216 1.659 -2.426 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.770 2.331 -3.152 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.077 4.342 -3.932 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.543 3.666 -3.251 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.522 3.764 -0.940 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.045 4.423 -1.615 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.055 6.269 -0.905 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.658 6.228 -2.492 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.625 5.693 -1.203 1.00 15.47 H new ATOM 439 N ALA A 28 -2.501 -0.364 -7.166 1.00 6.61 N ATOM 440 CA ALA A 28 -2.762 -1.091 -8.402 1.00 7.74 C ATOM 441 C ALA A 28 -2.486 -2.604 -8.267 1.00 9.17 C ATOM 442 O ALA A 28 -3.303 -3.381 -8.732 1.00 11.45 O ATOM 443 CB ALA A 28 -1.865 -0.520 -9.613 1.00 7.68 C ATOM 0 H ALA A 28 -1.634 0.170 -7.215 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.821 -0.944 -8.615 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.081 -1.081 -10.522 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.097 0.533 -9.773 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.809 -0.625 -9.364 1.00 7.68 H new ATOM 449 N LYS A 29 -1.389 -2.969 -7.585 1.00 8.96 N ATOM 450 CA LYS A 29 -1.076 -4.373 -7.349 1.00 7.90 C ATOM 451 C LYS A 29 -1.951 -5.072 -6.312 1.00 6.92 C ATOM 452 O LYS A 29 -2.531 -6.143 -6.476 1.00 6.87 O ATOM 453 CB LYS A 29 0.419 -4.553 -6.965 1.00 10.28 C ATOM 454 CG LYS A 29 1.398 -4.232 -8.054 1.00 14.94 C ATOM 455 CD LYS A 29 2.802 -3.866 -7.459 1.00 19.69 C ATOM 456 CE LYS A 29 3.863 -3.177 -8.335 1.00 22.63 C ATOM 457 NZ LYS A 29 4.187 -4.039 -9.470 1.00 24.98 N ATOM 0 H LYS A 29 -0.714 -2.312 -7.193 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.293 -4.858 -8.301 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.636 -3.920 -6.105 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.575 -5.585 -6.649 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.495 -5.086 -8.724 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.024 -3.400 -8.650 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.629 -3.222 -6.597 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.244 -4.789 -7.084 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.491 -2.216 -8.689 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.760 -2.976 -7.749 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.904 -3.576 -10.064 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.559 -4.946 -9.122 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.329 -4.209 -10.033 1.00 24.98 H new ATOM 471 N ILE A 30 -2.378 -4.325 -5.267 1.00 4.57 N ATOM 472 CA ILE A 30 -3.563 -4.686 -4.452 1.00 5.58 C ATOM 473 C ILE A 30 -4.854 -4.777 -5.274 1.00 7.26 C ATOM 474 O ILE A 30 -5.553 -5.751 -5.115 1.00 9.46 O ATOM 475 CB ILE A 30 -3.732 -3.698 -3.291 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.469 -3.859 -2.478 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.996 -3.934 -2.441 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.353 -2.939 -1.202 1.00 2.00 C ATOM 0 H ILE A 30 -1.918 -3.465 -4.967 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.378 -5.684 -4.056 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.874 -2.684 -3.664 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.393 -4.899 -2.161 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.615 -3.660 -3.125 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.041 -3.194 -1.642 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.881 -3.842 -3.071 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.962 -4.934 -2.008 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.409 -3.138 -0.695 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.390 -1.892 -1.504 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.180 -3.151 -0.525 1.00 2.00 H new ATOM 490 N GLN A 31 -5.212 -3.865 -6.279 1.00 7.06 N ATOM 491 CA GLN A 31 -6.353 -4.065 -7.116 1.00 8.67 C ATOM 492 C GLN A 31 -6.334 -5.337 -7.922 1.00 10.90 C ATOM 493 O GLN A 31 -7.309 -6.114 -7.994 1.00 9.63 O ATOM 494 CB GLN A 31 -6.529 -2.837 -8.056 1.00 9.12 C ATOM 495 CG GLN A 31 -7.701 -2.943 -9.068 1.00 10.76 C ATOM 496 CD GLN A 31 -7.929 -1.711 -9.991 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.932 -1.102 -10.398 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.180 -1.314 -10.280 1.00 14.76 N ATOM 0 H GLN A 31 -4.692 -3.011 -6.479 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.203 -4.168 -6.442 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.679 -1.948 -7.443 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.603 -2.689 -8.611 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.531 -3.816 -9.698 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.619 -3.127 -8.510 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.977 -1.842 -9.926 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.332 -0.484 -10.853 1.00 14.76 H new ATOM 507 N ASP A 32 -5.153 -5.726 -8.472 1.00 10.93 N ATOM 508 CA ASP A 32 -4.895 -7.009 -9.075 1.00 14.01 C ATOM 509 C ASP A 32 -5.059 -8.196 -8.096 1.00 14.04 C ATOM 510 O ASP A 32 -5.680 -9.189 -8.446 1.00 13.39 O ATOM 511 CB ASP A 32 -3.481 -6.922 -9.599 1.00 18.01 C ATOM 512 CG ASP A 32 -3.008 -8.149 -10.316 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.766 -8.547 -11.222 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.983 -8.769 -10.019 1.00 26.29 O ATOM 0 H ASP A 32 -4.339 -5.111 -8.495 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.622 -7.211 -9.862 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.410 -6.071 -10.276 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.809 -6.723 -8.764 1.00 18.01 H new ATOM 519 N LYS A 33 -4.677 -8.086 -6.795 1.00 14.22 N ATOM 520 CA LYS A 33 -4.950 -9.186 -5.847 1.00 14.00 C ATOM 521 C LYS A 33 -6.339 -9.199 -5.192 1.00 12.37 C ATOM 522 O LYS A 33 -6.872 -10.283 -4.991 1.00 12.17 O ATOM 523 CB LYS A 33 -3.859 -9.128 -4.711 1.00 18.62 C ATOM 524 CG LYS A 33 -2.433 -9.257 -5.254 1.00 24.00 C ATOM 525 CD LYS A 33 -1.966 -10.719 -5.506 1.00 27.61 C ATOM 526 CE LYS A 33 -0.432 -10.745 -5.796 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.012 -12.149 -6.068 1.00 30.06 N ATOM 0 H LYS A 33 -4.198 -7.279 -6.396 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.918 -10.098 -6.444 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.954 -8.187 -4.170 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.044 -9.928 -3.994 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.362 -8.701 -6.189 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.746 -8.786 -4.550 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.191 -11.337 -4.637 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.511 -11.144 -6.349 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.200 -10.110 -6.651 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.119 -10.346 -4.944 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.009 -12.174 -6.262 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.222 -12.741 -5.239 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.530 -12.513 -6.893 1.00 30.06 H new ATOM 541 N GLU A 34 -6.930 -8.033 -4.738 1.00 10.11 N ATOM 542 CA GLU A 34 -8.154 -8.033 -3.942 1.00 10.07 C ATOM 543 C GLU A 34 -9.309 -7.281 -4.687 1.00 9.32 C ATOM 544 O GLU A 34 -10.408 -7.165 -4.146 1.00 11.61 O ATOM 545 CB GLU A 34 -7.941 -7.311 -2.638 1.00 14.77 C ATOM 546 CG GLU A 34 -7.019 -7.921 -1.479 1.00 18.75 C ATOM 547 CD GLU A 34 -7.690 -9.206 -1.027 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.931 -9.260 -0.847 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.944 -10.188 -0.782 1.00 25.19 O ATOM 0 H GLU A 34 -6.557 -7.102 -4.925 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.418 -9.077 -3.774 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.533 -6.330 -2.883 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.927 -7.146 -2.203 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.012 -8.118 -1.847 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.924 -7.220 -0.650 1.00 18.75 H new ATOM 556 N GLY A 35 -9.034 -6.613 -5.820 1.00 7.22 N ATOM 557 CA GLY A 35 -10.129 -5.919 -6.588 1.00 6.29 C ATOM 558 C GLY A 35 -10.586 -4.610 -6.035 1.00 6.93 C ATOM 559 O GLY A 35 -11.570 -4.030 -6.521 1.00 7.41 O ATOM 0 H GLY A 35 -8.103 -6.529 -6.229 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.784 -5.759 -7.610 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.988 -6.588 -6.642 1.00 6.29 H new ATOM 563 N ILE A 36 -9.951 -4.031 -4.989 1.00 5.86 N ATOM 564 CA ILE A 36 -10.458 -2.892 -4.247 1.00 6.07 C ATOM 565 C ILE A 36 -10.090 -1.736 -5.193 1.00 6.36 C ATOM 566 O ILE A 36 -9.033 -1.756 -5.800 1.00 6.18 O ATOM 567 CB ILE A 36 -9.811 -2.619 -2.948 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.956 -3.865 -2.098 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.350 -1.366 -2.188 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.004 -3.815 -0.904 1.00 9.49 C ATOM 0 H ILE A 36 -9.051 -4.364 -4.643 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.507 -3.047 -3.995 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.767 -2.376 -3.147 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.984 -3.955 -1.747 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.747 -4.749 -2.700 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.812 -1.252 -1.247 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.202 -0.477 -2.801 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.413 -1.493 -1.984 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.123 -4.718 -0.306 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.976 -3.749 -1.261 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.233 -2.942 -0.293 1.00 9.49 H new ATOM 582 N PRO A 37 -10.880 -0.679 -5.333 1.00 8.65 N ATOM 583 CA PRO A 37 -10.518 0.409 -6.188 1.00 9.18 C ATOM 584 C PRO A 37 -9.260 1.234 -5.725 1.00 9.85 C ATOM 585 O PRO A 37 -9.234 1.440 -4.508 1.00 8.51 O ATOM 586 CB PRO A 37 -11.828 1.291 -6.229 1.00 11.42 C ATOM 587 CG PRO A 37 -12.947 0.372 -5.852 1.00 9.27 C ATOM 588 CD PRO A 37 -12.303 -0.618 -4.893 1.00 8.33 C ATOM 0 HA PRO A 37 -10.199 0.046 -7.165 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.758 2.128 -5.535 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.985 1.713 -7.222 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.765 0.913 -5.377 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.362 -0.131 -6.725 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.386 -0.283 -3.859 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.780 -1.596 -4.950 1.00 8.33 H new ATOM 596 N PRO A 38 -8.246 1.683 -6.459 1.00 8.71 N ATOM 597 CA PRO A 38 -7.146 2.451 -5.854 1.00 9.08 C ATOM 598 C PRO A 38 -7.564 3.711 -5.182 1.00 9.28 C ATOM 599 O PRO A 38 -6.868 4.065 -4.254 1.00 6.50 O ATOM 600 CB PRO A 38 -6.227 2.792 -6.965 1.00 10.31 C ATOM 601 CG PRO A 38 -6.434 1.666 -8.010 1.00 10.81 C ATOM 602 CD PRO A 38 -7.845 1.211 -7.800 1.00 12.00 C ATOM 0 HA PRO A 38 -6.696 1.839 -5.072 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.461 3.770 -7.386 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.192 2.831 -6.625 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.283 2.034 -9.025 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.728 0.850 -7.859 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.502 1.620 -8.567 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.916 0.125 -7.866 1.00 12.00 H new ATOM 610 N ASP A 39 -8.596 4.346 -5.627 1.00 11.20 N ATOM 611 CA ASP A 39 -8.938 5.700 -5.084 1.00 14.96 C ATOM 612 C ASP A 39 -9.781 5.622 -3.822 1.00 13.99 C ATOM 613 O ASP A 39 -10.124 6.588 -3.108 1.00 13.75 O ATOM 614 CB ASP A 39 -9.689 6.628 -6.085 1.00 24.16 C ATOM 615 CG ASP A 39 -8.903 6.869 -7.372 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.084 7.808 -7.480 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.079 6.046 -8.262 1.00 34.22 O ATOM 0 H ASP A 39 -9.228 3.995 -6.346 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.961 6.134 -4.873 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.654 6.184 -6.331 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.892 7.585 -5.604 1.00 24.16 H new ATOM 622 N GLN A 40 -10.166 4.393 -3.474 1.00 11.60 N ATOM 623 CA GLN A 40 -10.862 4.031 -2.309 1.00 10.76 C ATOM 624 C GLN A 40 -9.888 3.618 -1.141 1.00 8.01 C ATOM 625 O GLN A 40 -10.257 3.211 -0.028 1.00 8.96 O ATOM 626 CB GLN A 40 -11.734 2.808 -2.615 1.00 11.14 C ATOM 627 CG GLN A 40 -12.805 2.568 -1.456 1.00 14.85 C ATOM 628 CD GLN A 40 -13.764 1.425 -1.662 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.343 0.287 -1.626 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.057 1.712 -1.856 1.00 18.16 N ATOM 0 H GLN A 40 -9.968 3.587 -4.067 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.449 4.895 -1.999 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.247 2.951 -3.566 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.104 1.925 -2.722 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.268 2.400 -0.523 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.384 3.483 -1.330 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.366 2.684 -1.879 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.733 0.959 -1.981 1.00 18.16 H new ATOM 639 N GLN A 41 -8.551 3.449 -1.484 1.00 6.52 N ATOM 640 CA GLN A 41 -7.473 2.882 -0.705 1.00 3.87 C ATOM 641 C GLN A 41 -6.638 3.893 0.075 1.00 4.79 C ATOM 642 O GLN A 41 -6.151 4.944 -0.405 1.00 6.34 O ATOM 643 CB GLN A 41 -6.547 1.951 -1.496 1.00 4.20 C ATOM 644 CG GLN A 41 -7.249 0.639 -1.985 1.00 3.20 C ATOM 645 CD GLN A 41 -6.258 -0.137 -2.923 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.048 -0.226 -2.606 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.741 -0.726 -4.035 1.00 7.13 N ATOM 0 H GLN A 41 -8.218 3.746 -2.401 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.017 2.282 0.024 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.157 2.488 -2.360 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.693 1.686 -0.873 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.528 0.019 -1.133 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.168 0.878 -2.520 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.730 -0.638 -4.270 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.118 -1.260 -4.641 1.00 7.13 H new ATOM 656 N ARG A 42 -6.255 3.552 1.342 1.00 5.73 N ATOM 657 CA ARG A 42 -5.342 4.275 2.136 1.00 6.97 C ATOM 658 C ARG A 42 -4.271 3.299 2.750 1.00 7.15 C ATOM 659 O ARG A 42 -4.605 2.368 3.475 1.00 7.33 O ATOM 660 CB ARG A 42 -5.967 4.991 3.419 1.00 13.23 C ATOM 661 CG ARG A 42 -7.111 5.986 3.076 1.00 21.27 C ATOM 662 CD ARG A 42 -7.645 6.663 4.330 1.00 26.14 C ATOM 663 NE ARG A 42 -8.509 7.769 3.895 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.249 8.438 4.672 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.573 8.215 5.926 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.797 9.525 4.089 1.00 36.39 N ATOM 0 H ARG A 42 -6.617 2.723 1.813 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.950 5.023 1.447 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.349 4.231 4.100 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.178 5.525 3.948 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.744 6.741 2.380 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.920 5.455 2.573 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.205 5.955 4.940 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.825 7.035 4.945 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.512 8.012 2.904 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.207 7.395 6.409 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.190 8.862 6.416 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.596 9.735 3.111 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.412 10.136 4.626 1.00 36.39 H new ATOM 680 N LEU A 43 -2.954 3.553 2.481 1.00 4.65 N ATOM 681 CA LEU A 43 -1.942 2.697 2.831 1.00 3.51 C ATOM 682 C LEU A 43 -1.073 3.213 3.935 1.00 5.56 C ATOM 683 O LEU A 43 -0.571 4.298 3.786 1.00 4.19 O ATOM 684 CB LEU A 43 -1.106 2.315 1.607 1.00 3.74 C ATOM 685 CG LEU A 43 -1.788 1.494 0.477 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.598 0.699 -0.173 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.877 0.488 0.973 1.00 6.41 C ATOM 0 H LEU A 43 -2.633 4.395 2.002 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.425 1.803 3.225 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.723 3.235 1.165 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.244 1.747 1.957 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.323 2.160 -0.199 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.975 0.083 -0.989 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.140 1.401 -0.560 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.133 0.061 0.579 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.300 -0.041 0.119 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.425 -0.230 1.657 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.667 1.033 1.490 1.00 6.41 H new ATOM 699 N ILE A 44 -0.912 2.493 5.054 1.00 4.58 N ATOM 700 CA ILE A 44 -0.201 2.934 6.231 1.00 5.55 C ATOM 701 C ILE A 44 1.127 2.252 6.540 1.00 5.46 C ATOM 702 O ILE A 44 1.207 1.068 6.347 1.00 6.04 O ATOM 703 CB ILE A 44 -1.164 2.845 7.496 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.552 3.545 7.118 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.481 3.445 8.720 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.608 5.056 6.804 1.00 13.90 C ATOM 0 H ILE A 44 -1.294 1.552 5.154 1.00 4.58 H new ATOM 0 HA ILE A 44 0.086 3.960 6.000 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.380 1.810 7.762 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.950 3.021 6.249 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.240 3.362 7.944 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.149 3.378 9.579 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.436 2.895 8.931 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.241 4.491 8.527 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.634 5.341 6.571 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.262 5.621 7.670 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.968 5.274 5.949 1.00 13.90 H new ATOM 718 N PHE A 45 2.149 3.036 7.062 1.00 6.75 N ATOM 719 CA PHE A 45 3.376 2.432 7.528 1.00 4.70 C ATOM 720 C PHE A 45 3.848 3.327 8.665 1.00 6.34 C ATOM 721 O PHE A 45 3.847 4.547 8.502 1.00 5.45 O ATOM 722 CB PHE A 45 4.444 2.362 6.362 1.00 5.51 C ATOM 723 CG PHE A 45 5.658 1.530 6.661 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.578 0.116 6.524 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.882 2.140 7.022 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.630 -0.713 6.823 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.963 1.320 7.400 1.00 6.64 C ATOM 728 CZ PHE A 45 7.829 -0.103 7.311 1.00 6.84 C ATOM 0 H PHE A 45 2.110 4.051 7.151 1.00 6.75 H new ATOM 0 HA PHE A 45 3.231 1.404 7.862 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.960 1.964 5.470 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.767 3.376 6.124 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.655 -0.321 6.172 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.986 3.215 7.008 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.556 -1.783 6.695 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.884 1.760 7.753 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.652 -0.731 7.619 1.00 6.84 H new ATOM 738 N ALA A 46 4.411 2.817 9.782 1.00 6.53 N ATOM 739 CA ALA A 46 4.734 3.555 10.966 1.00 7.15 C ATOM 740 C ALA A 46 3.737 4.552 11.513 1.00 9.00 C ATOM 741 O ALA A 46 4.101 5.683 11.957 1.00 11.15 O ATOM 742 CB ALA A 46 6.118 4.239 10.825 1.00 8.99 C ATOM 0 H ALA A 46 4.654 1.829 9.860 1.00 6.53 H new ATOM 0 HA ALA A 46 4.723 2.765 11.717 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.344 4.794 11.735 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.884 3.481 10.663 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.101 4.924 9.977 1.00 8.99 H new ATOM 748 N GLY A 47 2.449 4.123 11.544 1.00 9.35 N ATOM 749 CA GLY A 47 1.485 4.960 12.276 1.00 11.68 C ATOM 750 C GLY A 47 0.980 6.117 11.418 1.00 11.14 C ATOM 751 O GLY A 47 0.226 6.977 11.885 1.00 13.93 O ATOM 0 H GLY A 47 2.083 3.276 11.109 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.641 4.349 12.596 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.955 5.353 13.178 1.00 11.68 H new ATOM 755 N LYS A 48 1.426 6.221 10.169 1.00 10.47 N ATOM 756 CA LYS A 48 1.142 7.333 9.315 1.00 8.82 C ATOM 757 C LYS A 48 0.950 7.011 7.781 1.00 7.68 C ATOM 758 O LYS A 48 1.258 5.866 7.340 1.00 6.47 O ATOM 759 CB LYS A 48 2.103 8.564 9.520 1.00 9.74 C ATOM 760 CG LYS A 48 3.565 8.234 9.109 1.00 14.14 C ATOM 761 CD LYS A 48 4.447 9.500 9.069 1.00 16.32 C ATOM 762 CE LYS A 48 5.913 9.327 8.697 1.00 20.04 C ATOM 763 NZ LYS A 48 6.128 8.830 7.293 1.00 23.92 N ATOM 0 H LYS A 48 2.007 5.509 9.727 1.00 10.47 H new ATOM 0 HA LYS A 48 0.151 7.621 9.667 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.742 9.408 8.932 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.081 8.872 10.565 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.988 7.518 9.814 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.569 7.757 8.129 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.001 10.198 8.360 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.403 9.971 10.051 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.424 10.282 8.817 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.375 8.629 9.395 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.148 8.736 7.110 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.669 7.904 7.179 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.716 9.506 6.619 1.00 23.92 H new ATOM 777 N GLN A 49 0.342 7.871 6.954 1.00 8.89 N ATOM 778 CA GLN A 49 -0.029 7.473 5.613 1.00 7.18 C ATOM 779 C GLN A 49 0.912 7.924 4.488 1.00 8.23 C ATOM 780 O GLN A 49 1.513 9.003 4.498 1.00 9.70 O ATOM 781 CB GLN A 49 -1.458 7.980 5.286 1.00 11.67 C ATOM 782 CG GLN A 49 -2.122 7.631 3.920 1.00 15.82 C ATOM 783 CD GLN A 49 -3.493 8.235 3.594 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.164 7.879 2.609 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.021 9.118 4.432 1.00 20.67 N ATOM 0 H GLN A 49 0.104 8.833 7.196 1.00 8.89 H new ATOM 0 HA GLN A 49 0.034 6.385 5.634 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.119 7.610 6.070 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.442 9.067 5.369 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.432 7.931 3.131 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.217 6.546 3.866 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.492 9.427 5.248 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.956 9.488 4.261 1.00 20.67 H new ATOM 794 N LEU A 50 0.967 7.059 3.416 1.00 6.51 N ATOM 795 CA LEU A 50 1.951 7.211 2.291 1.00 7.41 C ATOM 796 C LEU A 50 1.267 7.566 1.055 1.00 8.27 C ATOM 797 O LEU A 50 0.292 6.975 0.672 1.00 8.34 O ATOM 798 CB LEU A 50 2.588 5.785 2.073 1.00 7.13 C ATOM 799 CG LEU A 50 3.040 5.021 3.352 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.864 3.820 2.855 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.889 5.882 4.313 1.00 9.11 C ATOM 0 H LEU A 50 0.345 6.257 3.312 1.00 6.51 H new ATOM 0 HA LEU A 50 2.682 7.983 2.532 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.864 5.165 1.544 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.452 5.894 1.418 1.00 7.13 H new ATOM 0 HG LEU A 50 2.163 4.726 3.928 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.213 3.240 3.709 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.242 3.191 2.218 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.721 4.178 2.285 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.170 5.288 5.182 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.789 6.221 3.799 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.309 6.746 4.636 1.00 9.11 H new ATOM 813 N GLU A 51 1.767 8.666 0.407 1.00 9.43 N ATOM 814 CA GLU A 51 1.165 9.499 -0.610 1.00 11.90 C ATOM 815 C GLU A 51 1.417 8.864 -1.982 1.00 11.49 C ATOM 816 O GLU A 51 2.536 8.515 -2.387 1.00 9.88 O ATOM 817 CB GLU A 51 1.623 10.990 -0.520 1.00 16.56 C ATOM 818 CG GLU A 51 1.168 11.732 0.665 1.00 26.06 C ATOM 819 CD GLU A 51 1.394 13.243 0.679 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.581 13.675 0.648 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.426 14.065 0.649 1.00 32.13 O ATOM 0 H GLU A 51 2.704 9.000 0.631 1.00 9.43 H new ATOM 0 HA GLU A 51 0.089 9.543 -0.445 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.712 11.017 -0.545 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.270 11.512 -1.409 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.100 11.550 0.787 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.665 11.309 1.538 1.00 26.06 H new ATOM 828 N ASP A 52 0.287 8.668 -2.696 1.00 12.71 N ATOM 829 CA ASP A 52 0.102 8.064 -4.014 1.00 16.56 C ATOM 830 C ASP A 52 1.229 8.344 -5.047 1.00 15.83 C ATOM 831 O ASP A 52 1.701 7.396 -5.688 1.00 17.21 O ATOM 832 CB ASP A 52 -1.213 8.497 -4.590 1.00 21.05 C ATOM 833 CG ASP A 52 -2.373 8.293 -3.595 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.550 9.132 -2.669 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.042 7.232 -3.690 1.00 25.82 O ATOM 0 H ASP A 52 -0.610 8.965 -2.312 1.00 12.71 H new ATOM 0 HA ASP A 52 0.133 6.989 -3.835 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.157 9.549 -4.871 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.413 7.933 -5.501 1.00 21.05 H new ATOM 840 N GLY A 53 1.658 9.604 -5.148 1.00 15.00 N ATOM 841 CA GLY A 53 2.711 10.052 -6.032 1.00 11.77 C ATOM 842 C GLY A 53 4.144 9.874 -5.556 1.00 11.10 C ATOM 843 O GLY A 53 4.983 10.488 -6.207 1.00 11.25 O ATOM 0 H GLY A 53 1.260 10.360 -4.591 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.603 9.525 -6.980 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.552 11.111 -6.236 1.00 11.77 H new ATOM 847 N ARG A 54 4.415 9.144 -4.443 1.00 8.53 N ATOM 848 CA ARG A 54 5.762 8.978 -3.918 1.00 9.05 C ATOM 849 C ARG A 54 6.059 7.574 -3.858 1.00 8.96 C ATOM 850 O ARG A 54 5.166 6.749 -3.942 1.00 11.60 O ATOM 851 CB ARG A 54 5.809 9.705 -2.526 1.00 7.97 C ATOM 852 CG ARG A 54 5.368 11.169 -2.520 1.00 9.62 C ATOM 853 CD ARG A 54 6.336 12.027 -3.344 1.00 12.20 C ATOM 854 NE ARG A 54 5.738 13.423 -3.363 1.00 18.23 N ATOM 855 CZ ARG A 54 6.348 14.506 -2.823 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.707 14.497 -2.625 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.632 15.561 -2.469 1.00 23.38 N ATOM 0 H ARG A 54 3.698 8.663 -3.899 1.00 8.53 H new ATOM 0 HA ARG A 54 6.530 9.425 -4.550 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.179 9.153 -1.829 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.829 9.652 -2.145 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.361 11.253 -2.929 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.328 11.538 -1.495 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.330 12.034 -2.897 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.444 11.634 -4.355 1.00 12.20 H new ATOM 0 HE ARG A 54 4.828 13.552 -3.806 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.255 13.677 -2.884 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.169 15.311 -2.219 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.621 15.559 -2.603 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.091 16.376 -2.063 1.00 23.38 H new ATOM 871 N THR A 55 7.360 7.204 -3.839 1.00 9.05 N ATOM 872 CA THR A 55 7.761 5.810 -3.879 1.00 9.03 C ATOM 873 C THR A 55 7.908 5.063 -2.540 1.00 8.15 C ATOM 874 O THR A 55 7.876 5.707 -1.421 1.00 5.91 O ATOM 875 CB THR A 55 8.961 5.631 -4.768 1.00 11.15 C ATOM 876 OG1 THR A 55 10.155 6.237 -4.208 1.00 11.95 O ATOM 877 CG2 THR A 55 8.698 6.215 -6.136 1.00 11.71 C ATOM 0 H THR A 55 8.137 7.863 -3.796 1.00 9.05 H new ATOM 0 HA THR A 55 6.894 5.309 -4.309 1.00 9.03 H new ATOM 0 HB THR A 55 9.134 4.558 -4.851 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.078 7.213 -4.252 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.577 6.077 -6.766 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.844 5.711 -6.589 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.483 7.279 -6.042 1.00 11.71 H new ATOM 885 N LEU A 56 8.154 3.765 -2.492 1.00 6.91 N ATOM 886 CA LEU A 56 8.526 3.093 -1.334 1.00 8.29 C ATOM 887 C LEU A 56 9.893 3.483 -0.779 1.00 8.05 C ATOM 888 O LEU A 56 10.089 3.610 0.429 1.00 10.17 O ATOM 889 CB LEU A 56 8.506 1.588 -1.654 1.00 6.60 C ATOM 890 CG LEU A 56 7.108 0.932 -1.960 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.306 -0.474 -2.515 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.238 0.841 -0.707 1.00 8.64 C ATOM 0 H LEU A 56 8.088 3.158 -3.309 1.00 6.91 H new ATOM 0 HA LEU A 56 7.817 3.368 -0.553 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.154 1.418 -2.514 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.950 1.058 -0.811 1.00 6.60 H new ATOM 0 HG LEU A 56 6.605 1.566 -2.690 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.335 -0.922 -2.725 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.889 -0.423 -3.435 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.836 -1.083 -1.783 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.282 0.383 -0.960 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.744 0.234 0.044 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.067 1.841 -0.309 1.00 8.64 H new ATOM 904 N SER A 57 10.893 3.827 -1.590 1.00 8.92 N ATOM 905 CA SER A 57 12.171 4.353 -1.092 1.00 9.00 C ATOM 906 C SER A 57 12.089 5.768 -0.561 1.00 9.44 C ATOM 907 O SER A 57 12.839 6.126 0.334 1.00 10.91 O ATOM 908 CB SER A 57 13.325 4.034 -2.045 1.00 10.32 C ATOM 909 OG SER A 57 13.234 4.908 -3.198 1.00 13.59 O ATOM 0 H SER A 57 10.844 3.751 -2.606 1.00 8.92 H new ATOM 0 HA SER A 57 12.424 3.806 -0.184 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.281 4.174 -1.540 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.279 2.991 -2.358 1.00 10.32 H new ATOM 0 HG SER A 57 13.970 4.713 -3.815 1.00 13.59 H new ATOM 915 N ASP A 58 11.036 6.538 -0.843 1.00 9.11 N ATOM 916 CA ASP A 58 10.845 7.828 -0.257 1.00 7.91 C ATOM 917 C ASP A 58 10.449 7.691 1.214 1.00 9.12 C ATOM 918 O ASP A 58 10.759 8.592 1.957 1.00 8.61 O ATOM 919 CB ASP A 58 9.807 8.648 -1.125 1.00 8.41 C ATOM 920 CG ASP A 58 10.398 9.050 -2.453 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.529 9.625 -2.481 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.713 8.697 -3.469 1.00 10.05 O ATOM 0 H ASP A 58 10.298 6.265 -1.491 1.00 9.11 H new ATOM 0 HA ASP A 58 11.777 8.393 -0.261 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.913 8.047 -1.290 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.496 9.538 -0.579 1.00 8.41 H new ATOM 927 N TYR A 59 9.705 6.603 1.595 1.00 7.97 N ATOM 928 CA TYR A 59 9.415 6.360 3.029 1.00 8.45 C ATOM 929 C TYR A 59 10.492 5.384 3.695 1.00 10.98 C ATOM 930 O TYR A 59 10.440 5.135 4.900 1.00 12.95 O ATOM 931 CB TYR A 59 8.014 5.747 2.990 1.00 7.94 C ATOM 932 CG TYR A 59 7.098 6.753 2.333 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.914 7.924 2.999 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.512 6.539 1.097 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.930 8.856 2.546 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.593 7.473 0.551 1.00 6.52 C ATOM 937 CZ TYR A 59 5.357 8.642 1.315 1.00 6.76 C ATOM 938 OH TYR A 59 4.473 9.642 0.754 1.00 7.63 O ATOM 0 H TYR A 59 9.315 5.914 0.952 1.00 7.97 H new ATOM 0 HA TYR A 59 9.465 7.261 3.641 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.020 4.811 2.431 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.669 5.514 3.997 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.511 8.150 3.870 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.758 5.647 0.539 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.645 9.703 3.153 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.101 7.302 -0.395 1.00 6.52 H new ATOM 0 HH TYR A 59 4.739 10.530 1.073 1.00 7.63 H new ATOM 948 N ASN A 60 11.503 5.020 2.833 1.00 12.38 N ATOM 949 CA ASN A 60 12.572 4.206 3.310 1.00 13.94 C ATOM 950 C ASN A 60 12.175 2.804 3.725 1.00 14.16 C ATOM 951 O ASN A 60 12.566 2.278 4.724 1.00 14.26 O ATOM 952 CB ASN A 60 13.494 4.908 4.421 1.00 19.23 C ATOM 953 CG ASN A 60 13.832 6.367 4.091 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.465 7.283 4.775 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.727 6.620 3.108 1.00 24.09 N ATOM 0 H ASN A 60 11.561 5.288 1.850 1.00 12.38 H new ATOM 0 HA ASN A 60 13.189 4.089 2.419 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.985 4.869 5.384 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.420 4.342 4.526 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.072 7.569 2.964 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.057 5.862 2.511 1.00 24.09 H new ATOM 962 N ILE A 61 11.424 2.166 2.809 1.00 11.08 N ATOM 963 CA ILE A 61 10.841 0.855 3.133 1.00 11.78 C ATOM 964 C ILE A 61 11.669 -0.165 2.320 1.00 13.74 C ATOM 965 O ILE A 61 11.584 -0.189 1.073 1.00 14.60 O ATOM 966 CB ILE A 61 9.367 0.685 2.802 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.496 1.828 3.344 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.001 -0.759 3.321 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.099 1.919 2.805 1.00 11.42 C ATOM 0 H ILE A 61 11.213 2.520 1.876 1.00 11.08 H new ATOM 0 HA ILE A 61 10.883 0.721 4.214 1.00 11.78 H new ATOM 0 HB ILE A 61 9.165 0.756 1.733 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.438 1.728 4.428 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.003 2.771 3.138 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.949 -0.962 3.120 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.618 -1.497 2.808 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.183 -0.817 4.394 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.586 2.765 3.264 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.134 2.059 1.725 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.560 1.000 3.035 1.00 11.42 H new ATOM 981 N GLN A 62 12.388 -1.034 2.970 1.00 13.97 N ATOM 982 CA GLN A 62 13.031 -2.186 2.427 1.00 15.52 C ATOM 983 C GLN A 62 12.123 -3.395 2.473 1.00 13.94 C ATOM 984 O GLN A 62 11.313 -3.528 3.401 1.00 12.15 O ATOM 985 CB GLN A 62 14.389 -2.471 3.093 1.00 19.53 C ATOM 986 CG GLN A 62 15.391 -3.356 2.282 1.00 26.38 C ATOM 987 CD GLN A 62 15.442 -3.058 0.811 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.655 -3.628 -0.012 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.429 -2.248 0.371 1.00 32.71 N ATOM 0 H GLN A 62 12.550 -0.944 3.973 1.00 13.97 H new ATOM 0 HA GLN A 62 13.240 -1.966 1.380 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.871 -1.517 3.306 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.204 -2.956 4.052 1.00 19.53 H new ATOM 0 HG2 GLN A 62 16.389 -3.227 2.700 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.122 -4.403 2.418 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.054 -1.796 1.039 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.550 -2.088 -0.629 1.00 32.71 H new ATOM 998 N LYS A 63 12.236 -4.311 1.518 1.00 11.73 N ATOM 999 CA LYS A 63 11.473 -5.585 1.491 1.00 11.97 C ATOM 1000 C LYS A 63 11.133 -6.344 2.814 1.00 10.41 C ATOM 1001 O LYS A 63 11.829 -6.250 3.871 1.00 9.59 O ATOM 1002 CB LYS A 63 12.218 -6.515 0.596 1.00 13.73 C ATOM 1003 CG LYS A 63 13.612 -6.998 1.045 1.00 16.98 C ATOM 1004 CD LYS A 63 14.308 -7.374 -0.251 1.00 20.19 C ATOM 1005 CE LYS A 63 15.562 -8.232 -0.038 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.080 -8.633 -1.351 1.00 25.97 N ATOM 0 H LYS A 63 12.865 -4.202 0.723 1.00 11.73 H new ATOM 0 HA LYS A 63 10.482 -5.271 1.162 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.595 -7.396 0.438 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.331 -6.027 -0.372 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.153 -6.215 1.576 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.540 -7.850 1.721 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.609 -7.916 -0.887 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.584 -6.464 -0.784 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.317 -7.670 0.511 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.322 -9.112 0.559 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.932 -9.216 -1.225 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.356 -9.182 -1.857 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.320 -7.785 -1.903 1.00 25.97 H new ATOM 1020 N GLU A 64 10.019 -7.119 2.759 1.00 10.04 N ATOM 1021 CA GLU A 64 9.663 -8.005 3.844 1.00 10.94 C ATOM 1022 C GLU A 64 9.236 -7.341 5.184 1.00 9.74 C ATOM 1023 O GLU A 64 9.642 -7.759 6.247 1.00 9.42 O ATOM 1024 CB GLU A 64 10.579 -9.268 4.032 1.00 18.31 C ATOM 1025 CG GLU A 64 10.672 -10.263 2.901 1.00 24.16 C ATOM 1026 CD GLU A 64 11.539 -11.490 3.247 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.282 -12.175 4.281 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.444 -11.830 2.432 1.00 32.61 O ATOM 0 H GLU A 64 9.371 -7.133 1.972 1.00 10.04 H new ATOM 0 HA GLU A 64 8.726 -8.404 3.455 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.588 -8.917 4.249 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.230 -9.802 4.916 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.669 -10.597 2.635 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.086 -9.768 2.023 1.00 24.16 H new ATOM 1035 N SER A 65 8.423 -6.251 5.050 1.00 6.85 N ATOM 1036 CA SER A 65 7.845 -5.505 6.114 1.00 6.90 C ATOM 1037 C SER A 65 6.407 -5.305 5.753 1.00 4.72 C ATOM 1038 O SER A 65 5.938 -5.573 4.644 1.00 3.91 O ATOM 1039 CB SER A 65 8.540 -4.113 6.271 1.00 7.28 C ATOM 1040 OG SER A 65 8.227 -3.537 7.518 1.00 10.56 O ATOM 0 H SER A 65 8.165 -5.884 4.134 1.00 6.85 H new ATOM 0 HA SER A 65 7.962 -6.036 7.059 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.620 -4.228 6.179 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.221 -3.449 5.468 1.00 7.28 H new ATOM 0 HG SER A 65 8.078 -2.575 7.406 1.00 10.56 H new ATOM 1046 N THR A 66 5.536 -4.887 6.750 1.00 4.48 N ATOM 1047 CA THR A 66 4.155 -4.883 6.659 1.00 3.80 C ATOM 1048 C THR A 66 3.707 -3.453 6.507 1.00 4.60 C ATOM 1049 O THR A 66 3.845 -2.695 7.460 1.00 5.33 O ATOM 1050 CB THR A 66 3.471 -5.590 7.792 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.808 -6.938 7.815 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.967 -5.449 7.544 1.00 3.40 C ATOM 0 H THR A 66 5.870 -4.542 7.650 1.00 4.48 H new ATOM 0 HA THR A 66 3.858 -5.461 5.784 1.00 3.80 H new ATOM 0 HB THR A 66 3.772 -5.159 8.747 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.351 -7.377 8.563 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.418 -5.948 8.343 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.699 -4.393 7.524 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.711 -5.906 6.588 1.00 3.40 H new ATOM 1060 N LEU A 67 3.103 -3.222 5.347 1.00 4.17 N ATOM 1061 CA LEU A 67 2.273 -2.028 5.143 1.00 3.85 C ATOM 1062 C LEU A 67 0.899 -2.354 5.638 1.00 3.80 C ATOM 1063 O LEU A 67 0.403 -3.425 5.432 1.00 5.54 O ATOM 1064 CB LEU A 67 2.202 -1.716 3.625 1.00 7.18 C ATOM 1065 CG LEU A 67 3.348 -0.817 3.132 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.753 -1.330 3.355 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.056 -0.596 1.681 1.00 11.66 C ATOM 0 H LEU A 67 3.168 -3.837 4.536 1.00 4.17 H new ATOM 0 HA LEU A 67 2.686 -1.168 5.670 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.220 -2.653 3.068 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.250 -1.232 3.405 1.00 7.18 H new ATOM 0 HG LEU A 67 3.361 0.098 3.724 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.470 -0.608 2.965 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.924 -1.471 4.422 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.879 -2.282 2.839 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.828 0.039 1.247 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.041 -1.555 1.163 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.086 -0.111 1.575 1.00 11.66 H new ATOM 1079 N HIS A 68 0.152 -1.411 6.256 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.252 -1.652 6.651 1.00 4.17 C ATOM 1081 C HIS A 68 -2.050 -1.115 5.489 1.00 5.32 C ATOM 1082 O HIS A 68 -1.670 -0.120 4.837 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.670 -1.018 7.971 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.369 -2.051 9.002 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.057 -2.424 9.257 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.112 -2.675 9.941 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.084 -3.236 10.321 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.303 -3.432 10.759 1.00 16.30 N ATOM 0 H HIS A 68 0.497 -0.480 6.491 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.418 -2.712 6.844 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.118 -0.098 8.160 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.729 -0.759 7.968 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.185 -2.592 10.037 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.796 -3.677 10.766 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.592 -4.021 11.540 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.155 -1.784 5.193 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.102 -1.351 4.235 1.00 3.97 C ATOM 1098 C LEU A 69 -5.332 -1.025 5.072 1.00 5.07 C ATOM 1099 O LEU A 69 -5.848 -1.870 5.798 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.511 -2.495 3.225 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.847 -2.391 2.471 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.831 -1.265 1.393 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.238 -3.677 1.792 1.00 9.96 C ATOM 0 H LEU A 69 -3.404 -2.667 5.639 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.702 -0.528 3.643 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.719 -2.572 2.480 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.520 -3.434 3.779 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.580 -2.155 3.242 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.796 -1.231 0.888 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.638 -0.305 1.872 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.047 -1.470 0.664 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.189 -3.542 1.277 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.470 -3.955 1.070 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.338 -4.466 2.537 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.823 0.210 4.878 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.063 0.674 5.434 1.00 6.26 C ATOM 1117 C VAL A 70 -7.728 1.481 4.356 1.00 9.22 C ATOM 1118 O VAL A 70 -7.299 1.647 3.210 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.969 1.419 6.804 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.192 0.508 7.774 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.276 2.809 6.832 1.00 8.54 C ATOM 0 H VAL A 70 -5.344 0.913 4.316 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.664 -0.190 5.719 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.006 1.621 7.071 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.107 0.998 8.744 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.723 -0.437 7.890 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.196 0.318 7.375 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.287 3.201 7.849 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.245 2.708 6.493 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.809 3.495 6.173 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.973 1.936 4.614 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.819 2.292 3.461 1.00 16.06 C ATOM 1133 C LEU A 71 -10.308 3.687 3.693 1.00 18.09 C ATOM 1134 O LEU A 71 -10.386 4.257 4.805 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.117 1.337 3.277 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.686 -0.022 2.834 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.048 -0.701 2.630 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.071 -0.056 1.424 1.00 19.57 C ATOM 0 H LEU A 71 -9.389 2.059 5.537 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.215 2.181 2.561 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.664 1.267 4.217 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.797 1.770 2.544 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.963 -0.438 3.535 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.896 -1.728 2.297 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.599 -0.702 3.571 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.617 -0.156 1.877 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.784 -1.078 1.177 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.803 0.301 0.699 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.190 0.585 1.396 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.652 4.333 2.598 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.208 5.694 2.590 1.00 25.83 C ATOM 1152 C ARG A 72 -12.520 5.903 3.280 1.00 27.74 C ATOM 1153 O ARG A 72 -13.380 5.066 3.207 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.396 6.072 1.097 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.678 7.514 0.888 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.326 7.964 -0.543 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.453 9.429 -0.631 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.428 10.069 -1.820 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.271 9.395 -2.985 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.586 11.401 -1.832 1.00 35.02 N ATOM 0 H ARG A 72 -10.556 3.930 1.666 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.506 6.309 3.152 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.496 5.801 0.545 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.215 5.485 0.681 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.733 7.710 1.082 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.107 8.104 1.605 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.310 7.659 -0.794 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.990 7.485 -1.262 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.562 9.972 0.225 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.168 8.380 -2.977 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.256 9.902 -3.870 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.721 11.906 -0.956 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.571 11.908 -2.717 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.652 7.026 3.964 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.793 7.441 4.674 1.00 30.76 C ATOM 1176 C LEU A 73 -14.296 8.759 4.075 1.00 32.18 C ATOM 1177 O LEU A 73 -13.516 9.625 3.614 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.419 7.728 6.191 1.00 30.53 C ATOM 1179 CG LEU A 73 -12.717 6.525 6.949 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -11.987 6.996 8.209 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.756 5.423 7.354 1.00 29.11 C ATOM 0 H LEU A 73 -11.893 7.704 4.026 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.548 6.657 4.612 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.760 8.595 6.229 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.328 7.995 6.729 1.00 30.53 H new ATOM 0 HG LEU A 73 -11.991 6.105 6.252 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -11.520 6.142 8.699 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -11.221 7.722 7.936 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -12.700 7.460 8.890 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.243 4.612 7.872 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -14.508 5.857 8.014 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.240 5.033 6.459 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.640 9.004 4.009 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.131 10.183 3.273 1.00 35.33 C ATOM 1195 C ARG A 74 -16.103 11.370 4.176 1.00 36.22 C ATOM 1196 O ARG A 74 -15.813 12.476 3.746 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.448 9.948 2.548 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.365 8.756 1.563 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.686 8.365 0.834 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.449 7.267 -0.156 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.053 7.548 -1.445 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.783 8.729 -1.936 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.009 6.529 -2.296 1.00 41.93 N ATOM 0 H ARG A 74 -16.362 8.425 4.438 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.454 10.392 2.445 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.235 9.760 3.278 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.727 10.850 2.003 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.614 8.989 0.808 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.007 7.885 2.111 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.428 8.046 1.566 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.096 9.237 0.324 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.583 6.297 0.128 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.859 9.557 -1.345 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.497 8.823 -2.910 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.262 5.592 -1.983 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.722 6.684 -3.263 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.210 11.120 5.485 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.133 12.128 6.558 1.00 36.07 C ATOM 1219 C GLY A 75 -14.725 12.565 6.895 1.00 36.16 C ATOM 1220 O GLY A 75 -14.475 13.498 7.618 1.00 36.26 O ATOM 0 H GLY A 75 -16.358 10.177 5.844 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.712 13.003 6.262 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.601 11.724 7.456 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.718 11.890 6.380 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.362 12.401 6.626 1.00 36.19 C ATOM 1226 C GLY A 76 -11.347 11.480 6.045 1.00 36.20 C ATOM 1227 O GLY A 76 -10.831 10.475 6.603 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.012 11.826 4.837 1.00 0.00 O ATOM 0 H GLY A 76 -13.788 11.039 5.822 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.255 13.393 6.188 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.195 12.507 7.698 1.00 36.19 H new TER 1232 GLY A 76