USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 177:sc= -0.921 (180deg=-0.956) USER MOD Single : A 1 MET N :NH3+ 166:sc= 2 (180deg=1.67) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= 0.212 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.384 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.66 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.819 K(o=-0.82,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= 2.01 K(o=2,f=-0.94) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot -39:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.4) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0134) USER MOD Single : A 65 SER OG : rot 104:sc= 0.257 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.893 0.818 -6.551 1.00 9.67 N ATOM 2 CA MET A 1 -12.251 1.686 -5.407 1.00 10.38 C ATOM 3 C MET A 1 -11.077 2.405 -4.836 1.00 9.62 C ATOM 4 O MET A 1 -9.982 2.181 -5.349 1.00 9.62 O ATOM 5 CB MET A 1 -12.903 0.833 -4.306 1.00 13.77 C ATOM 6 CG MET A 1 -12.095 -0.361 -3.794 1.00 16.29 C ATOM 7 SD MET A 1 -10.838 0.020 -2.537 1.00 17.17 S ATOM 8 CE MET A 1 -10.586 -1.779 -2.524 1.00 16.11 C ATOM 0 H1 MET A 1 -12.681 0.171 -6.756 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.702 1.407 -7.387 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.044 0.266 -6.315 1.00 9.67 H new ATOM 0 HA MET A 1 -12.944 2.440 -5.780 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.125 1.482 -3.459 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.857 0.463 -4.682 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.787 -1.094 -3.379 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.602 -0.834 -4.643 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.770 -2.027 -1.846 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.499 -2.272 -2.189 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.338 -2.119 -3.530 1.00 16.11 H new ATOM 20 N GLN A 2 -11.252 3.296 -3.843 1.00 9.27 N ATOM 21 CA GLN A 2 -10.072 4.017 -3.478 1.00 9.07 C ATOM 22 C GLN A 2 -9.419 3.518 -2.236 1.00 8.72 C ATOM 23 O GLN A 2 -10.015 3.000 -1.293 1.00 8.22 O ATOM 24 CB GLN A 2 -10.590 5.440 -3.211 1.00 14.46 C ATOM 25 CG GLN A 2 -11.343 6.066 -4.387 1.00 17.01 C ATOM 26 CD GLN A 2 -11.815 7.481 -4.087 1.00 20.10 C ATOM 27 OE1 GLN A 2 -12.641 7.660 -3.193 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.339 8.487 -4.869 1.00 19.49 N ATOM 0 H GLN A 2 -12.113 3.505 -3.338 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.319 3.927 -4.261 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.249 5.417 -2.343 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.746 6.079 -2.953 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.695 6.080 -5.263 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.203 5.444 -4.636 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.654 8.286 -5.598 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.667 9.442 -4.727 1.00 19.49 H new ATOM 37 N ILE A 3 -8.083 3.664 -2.179 1.00 5.87 N ATOM 38 CA ILE A 3 -7.348 3.636 -0.952 1.00 5.07 C ATOM 39 C ILE A 3 -6.384 4.772 -0.937 1.00 4.01 C ATOM 40 O ILE A 3 -6.260 5.549 -1.882 1.00 4.61 O ATOM 41 CB ILE A 3 -6.599 2.350 -0.763 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.597 2.000 -1.876 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.580 1.169 -0.684 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.176 2.524 -1.672 1.00 10.83 C ATOM 0 H ILE A 3 -7.500 3.805 -3.004 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.064 3.721 -0.135 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.038 2.510 0.158 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.555 0.915 -1.975 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.978 2.391 -2.819 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.023 0.242 -0.547 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.257 1.314 0.158 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.157 1.113 -1.607 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.552 2.221 -2.513 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.195 3.612 -1.608 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -3.766 2.113 -0.750 1.00 10.83 H new ATOM 56 N PHE A 4 -5.675 4.967 0.189 1.00 4.55 N ATOM 57 CA PHE A 4 -4.841 6.129 0.194 1.00 4.68 C ATOM 58 C PHE A 4 -3.454 5.702 0.534 1.00 5.30 C ATOM 59 O PHE A 4 -3.354 4.659 1.179 1.00 5.58 O ATOM 60 CB PHE A 4 -5.286 7.284 1.106 1.00 4.83 C ATOM 61 CG PHE A 4 -6.672 7.767 0.850 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.013 8.599 -0.190 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.646 7.513 1.787 1.00 6.69 C ATOM 64 CE1 PHE A 4 -8.271 9.150 -0.265 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.947 7.952 1.718 1.00 9.10 C ATOM 66 CZ PHE A 4 -9.207 8.826 0.689 1.00 8.90 C ATOM 0 H PHE A 4 -5.671 4.382 1.025 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.912 6.555 -0.807 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.212 6.961 2.144 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.594 8.117 0.981 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.285 8.822 -0.956 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.366 6.921 2.646 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.521 9.831 -1.065 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.706 7.635 2.418 1.00 9.10 H new ATOM 0 HZ PHE A 4 -10.187 9.277 0.627 1.00 8.90 H new ATOM 76 N VAL A 5 -2.418 6.395 0.031 1.00 4.44 N ATOM 77 CA VAL A 5 -1.086 6.198 0.514 1.00 3.87 C ATOM 78 C VAL A 5 -0.737 7.479 1.191 1.00 4.93 C ATOM 79 O VAL A 5 -0.711 8.572 0.627 1.00 6.84 O ATOM 80 CB VAL A 5 -0.067 5.837 -0.526 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.323 5.472 0.023 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.621 4.634 -1.308 1.00 9.13 C ATOM 0 H VAL A 5 -2.502 7.091 -0.710 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.066 5.331 1.175 1.00 3.87 H new ATOM 0 HB VAL A 5 0.088 6.723 -1.142 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.988 5.227 -0.805 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.729 6.319 0.576 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.238 4.612 0.687 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.093 4.340 -2.077 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.784 3.800 -0.625 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.566 4.909 -1.777 1.00 9.13 H new ATOM 92 N LYS A 6 -0.286 7.353 2.451 1.00 6.04 N ATOM 93 CA LYS A 6 0.399 8.343 3.223 1.00 6.12 C ATOM 94 C LYS A 6 1.863 8.148 3.421 1.00 6.57 C ATOM 95 O LYS A 6 2.268 7.056 3.817 1.00 5.76 O ATOM 96 CB LYS A 6 -0.355 8.555 4.546 1.00 7.45 C ATOM 97 CG LYS A 6 0.023 9.739 5.439 1.00 11.12 C ATOM 98 CD LYS A 6 -0.828 9.739 6.710 1.00 14.54 C ATOM 99 CE LYS A 6 -0.563 10.908 7.661 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.149 12.169 7.153 1.00 20.55 N ATOM 0 H LYS A 6 -0.412 6.485 2.972 1.00 6.04 H new ATOM 0 HA LYS A 6 0.382 9.252 2.621 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.415 8.648 4.308 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.240 7.647 5.138 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.080 9.683 5.701 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.122 10.673 4.896 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.880 9.752 6.426 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.654 8.806 7.246 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.981 10.681 8.642 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.512 11.033 7.794 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.950 12.939 7.823 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.732 12.398 6.228 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.178 12.057 7.050 1.00 20.55 H new ATOM 114 N THR A 7 2.717 9.067 2.935 1.00 7.41 N ATOM 115 CA THR A 7 4.133 8.883 2.861 1.00 7.48 C ATOM 116 C THR A 7 4.759 9.418 4.103 1.00 8.75 C ATOM 117 O THR A 7 4.205 10.078 4.980 1.00 8.58 O ATOM 118 CB THR A 7 4.702 9.502 1.619 1.00 9.61 C ATOM 119 OG1 THR A 7 4.514 10.909 1.563 1.00 11.78 O ATOM 120 CG2 THR A 7 4.050 8.867 0.380 1.00 9.17 C ATOM 0 H THR A 7 2.409 9.972 2.580 1.00 7.41 H new ATOM 0 HA THR A 7 4.359 7.819 2.793 1.00 7.48 H new ATOM 0 HB THR A 7 5.775 9.313 1.639 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.758 11.236 0.672 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.465 9.318 -0.521 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.248 7.795 0.373 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.974 9.037 0.408 1.00 9.17 H new ATOM 128 N LEU A 8 6.059 9.109 4.257 1.00 9.84 N ATOM 129 CA LEU A 8 6.941 9.720 5.203 1.00 14.15 C ATOM 130 C LEU A 8 7.111 11.176 4.936 1.00 17.37 C ATOM 131 O LEU A 8 7.303 11.991 5.837 1.00 17.01 O ATOM 132 CB LEU A 8 8.289 8.978 5.209 1.00 16.63 C ATOM 133 CG LEU A 8 8.264 7.469 5.502 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.549 6.825 4.954 1.00 18.59 C ATOM 135 CD2 LEU A 8 8.228 7.268 7.026 1.00 19.31 C ATOM 0 H LEU A 8 6.519 8.395 3.692 1.00 9.84 H new ATOM 0 HA LEU A 8 6.498 9.640 6.196 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.759 9.125 4.236 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.932 9.454 5.949 1.00 16.63 H new ATOM 0 HG LEU A 8 7.391 7.014 5.034 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.536 5.755 5.160 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.607 6.987 3.878 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.416 7.276 5.436 1.00 18.59 H new ATOM 0 HD21 LEU A 8 8.210 6.202 7.252 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.114 7.719 7.473 1.00 19.31 H new ATOM 0 HD23 LEU A 8 7.335 7.741 7.434 1.00 19.31 H new ATOM 147 N THR A 9 7.185 11.621 3.669 1.00 18.33 N ATOM 148 CA THR A 9 7.364 12.945 3.159 1.00 19.24 C ATOM 149 C THR A 9 6.262 13.868 3.554 1.00 19.48 C ATOM 150 O THR A 9 6.466 14.804 4.325 1.00 23.14 O ATOM 151 CB THR A 9 7.309 12.915 1.661 1.00 18.97 C ATOM 152 OG1 THR A 9 8.196 11.951 1.111 1.00 20.24 O ATOM 153 CG2 THR A 9 7.720 14.265 1.049 1.00 19.70 C ATOM 0 H THR A 9 7.108 10.955 2.900 1.00 18.33 H new ATOM 0 HA THR A 9 8.317 13.291 3.558 1.00 19.24 H new ATOM 0 HB THR A 9 6.274 12.671 1.422 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.127 11.963 0.133 1.00 20.24 H new ATOM 0 HG21 THR A 9 7.667 14.203 -0.038 1.00 19.70 H new ATOM 0 HG22 THR A 9 7.045 15.045 1.401 1.00 19.70 H new ATOM 0 HG23 THR A 9 8.740 14.505 1.350 1.00 19.70 H new ATOM 161 N GLY A 10 5.023 13.556 3.134 1.00 19.43 N ATOM 162 CA GLY A 10 3.934 14.394 3.533 1.00 18.74 C ATOM 163 C GLY A 10 2.924 14.526 2.446 1.00 17.62 C ATOM 164 O GLY A 10 2.607 15.641 2.036 1.00 19.74 O ATOM 0 H GLY A 10 4.780 12.760 2.544 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.461 13.979 4.423 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.312 15.380 3.803 1.00 18.74 H new ATOM 168 N LYS A 11 2.439 13.399 1.895 1.00 13.56 N ATOM 169 CA LYS A 11 1.466 13.322 0.850 1.00 11.91 C ATOM 170 C LYS A 11 0.330 12.487 1.333 1.00 10.18 C ATOM 171 O LYS A 11 0.243 11.788 2.341 1.00 9.10 O ATOM 172 CB LYS A 11 2.113 12.702 -0.400 1.00 13.43 C ATOM 173 CG LYS A 11 3.322 13.460 -0.952 1.00 16.69 C ATOM 174 CD LYS A 11 3.666 13.033 -2.380 1.00 17.92 C ATOM 175 CE LYS A 11 4.863 13.769 -2.986 1.00 20.81 C ATOM 176 NZ LYS A 11 4.947 13.331 -4.397 1.00 21.93 N ATOM 0 H LYS A 11 2.749 12.477 2.202 1.00 13.56 H new ATOM 0 HA LYS A 11 1.097 14.313 0.586 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.420 11.683 -0.163 1.00 13.43 H new ATOM 0 HB3 LYS A 11 1.359 12.633 -1.184 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.117 14.530 -0.934 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.183 13.289 -0.306 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.871 11.962 -2.387 1.00 17.92 H new ATOM 0 HD3 LYS A 11 2.795 13.195 -3.015 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.729 14.849 -2.921 1.00 20.81 H new ATOM 0 HE3 LYS A 11 5.780 13.529 -2.449 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.924 13.438 -4.736 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 4.663 12.333 -4.468 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.313 13.914 -4.980 1.00 21.93 H new ATOM 190 N THR A 12 -0.724 12.607 0.506 1.00 9.63 N ATOM 191 CA THR A 12 -1.905 11.805 0.442 1.00 9.85 C ATOM 192 C THR A 12 -2.022 11.489 -1.009 1.00 11.66 C ATOM 193 O THR A 12 -2.287 12.414 -1.776 1.00 12.33 O ATOM 194 CB THR A 12 -3.158 12.525 0.844 1.00 10.85 C ATOM 195 OG1 THR A 12 -3.129 12.720 2.250 1.00 10.91 O ATOM 196 CG2 THR A 12 -4.387 11.641 0.571 1.00 9.63 C ATOM 0 H THR A 12 -0.747 13.349 -0.193 1.00 9.63 H new ATOM 0 HA THR A 12 -1.815 10.956 1.119 1.00 9.85 H new ATOM 0 HB THR A 12 -3.216 13.461 0.288 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.941 13.192 2.532 1.00 10.91 H new ATOM 0 HG21 THR A 12 -5.291 12.173 0.867 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.436 11.404 -0.492 1.00 9.63 H new ATOM 0 HG23 THR A 12 -4.306 10.718 1.145 1.00 9.63 H new ATOM 204 N ILE A 13 -1.762 10.235 -1.420 1.00 10.42 N ATOM 205 CA ILE A 13 -1.908 9.730 -2.750 1.00 11.84 C ATOM 206 C ILE A 13 -3.182 8.959 -2.789 1.00 10.55 C ATOM 207 O ILE A 13 -3.284 8.191 -1.834 1.00 11.92 O ATOM 208 CB ILE A 13 -0.763 8.822 -3.089 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.620 9.488 -2.995 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.942 8.117 -4.444 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.923 8.691 -3.026 1.00 16.46 C ATOM 0 H ILE A 13 -1.425 9.522 -0.773 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.919 10.548 -3.470 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.789 8.061 -2.309 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.675 10.206 -3.813 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.627 10.060 -2.067 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -0.083 7.474 -4.636 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.850 7.514 -4.423 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.020 8.863 -5.235 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.769 9.374 -2.945 1.00 16.46 H new ATOM 0 HD12 ILE A 13 1.941 7.991 -2.191 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.990 8.139 -3.964 1.00 16.46 H new ATOM 223 N THR A 14 -4.122 9.107 -3.740 1.00 9.39 N ATOM 224 CA THR A 14 -5.284 8.281 -3.849 1.00 9.63 C ATOM 225 C THR A 14 -5.041 7.355 -4.991 1.00 11.20 C ATOM 226 O THR A 14 -4.799 7.790 -6.115 1.00 11.63 O ATOM 227 CB THR A 14 -6.520 9.067 -4.169 1.00 10.38 C ATOM 228 OG1 THR A 14 -6.701 10.101 -3.212 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.707 8.140 -3.857 1.00 11.66 C ATOM 0 H THR A 14 -4.071 9.828 -4.459 1.00 9.39 H new ATOM 0 HA THR A 14 -5.443 7.775 -2.897 1.00 9.63 H new ATOM 0 HB THR A 14 -6.450 9.441 -5.190 1.00 10.38 H new ATOM 0 HG1 THR A 14 -7.047 9.719 -2.379 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.641 8.660 -4.071 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.641 7.244 -4.474 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.682 7.859 -2.804 1.00 11.66 H new ATOM 237 N LEU A 15 -4.940 6.038 -4.738 1.00 8.29 N ATOM 238 CA LEU A 15 -4.828 4.998 -5.713 1.00 9.03 C ATOM 239 C LEU A 15 -6.109 4.256 -5.881 1.00 8.59 C ATOM 240 O LEU A 15 -6.755 3.896 -4.898 1.00 7.79 O ATOM 241 CB LEU A 15 -3.727 3.962 -5.429 1.00 11.08 C ATOM 242 CG LEU A 15 -2.281 4.416 -5.162 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.366 3.281 -4.672 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.626 4.945 -6.449 1.00 15.88 C ATOM 0 H LEU A 15 -4.936 5.676 -3.785 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.559 5.534 -6.623 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.047 3.380 -4.564 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.699 3.280 -6.279 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.371 5.183 -4.392 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.362 3.670 -4.503 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.759 2.874 -3.740 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.328 2.494 -5.425 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.605 5.260 -6.235 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.612 4.156 -7.201 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.196 5.795 -6.825 1.00 15.88 H new ATOM 256 N GLU A 16 -6.502 4.150 -7.163 1.00 11.04 N ATOM 257 CA GLU A 16 -7.704 3.517 -7.611 1.00 11.50 C ATOM 258 C GLU A 16 -7.348 2.080 -7.773 1.00 10.13 C ATOM 259 O GLU A 16 -6.695 1.584 -8.690 1.00 9.83 O ATOM 260 CB GLU A 16 -8.046 4.237 -8.927 1.00 17.22 C ATOM 261 CG GLU A 16 -9.186 3.623 -9.743 1.00 23.33 C ATOM 262 CD GLU A 16 -10.425 3.489 -8.870 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.023 4.538 -8.510 1.00 28.90 O ATOM 264 OE2 GLU A 16 -10.763 2.346 -8.459 1.00 28.86 O ATOM 0 H GLU A 16 -5.948 4.528 -7.931 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.571 3.572 -6.953 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.304 5.271 -8.698 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.151 4.262 -9.549 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.405 4.248 -10.609 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.889 2.645 -10.123 1.00 23.33 H new ATOM 271 N VAL A 17 -7.837 1.257 -6.828 1.00 8.99 N ATOM 272 CA VAL A 17 -7.496 -0.122 -6.662 1.00 8.85 C ATOM 273 C VAL A 17 -8.710 -0.977 -6.791 1.00 8.04 C ATOM 274 O VAL A 17 -9.787 -0.600 -6.332 1.00 8.99 O ATOM 275 CB VAL A 17 -6.798 -0.458 -5.377 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.485 0.292 -5.096 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.605 -0.082 -4.123 1.00 10.54 C ATOM 0 H VAL A 17 -8.514 1.576 -6.135 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.780 -0.325 -7.458 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.646 -1.526 -5.535 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.076 -0.036 -4.140 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.768 0.080 -5.889 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.679 1.364 -5.059 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.040 -0.354 -3.232 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.794 0.992 -4.120 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.555 -0.617 -4.127 1.00 10.54 H new ATOM 287 N GLU A 18 -8.626 -2.270 -7.153 1.00 7.29 N ATOM 288 CA GLU A 18 -9.644 -3.267 -7.028 1.00 7.08 C ATOM 289 C GLU A 18 -9.217 -4.222 -5.967 1.00 6.45 C ATOM 290 O GLU A 18 -8.061 -4.640 -5.995 1.00 5.28 O ATOM 291 CB GLU A 18 -9.938 -4.005 -8.345 1.00 10.28 C ATOM 292 CG GLU A 18 -10.427 -3.148 -9.513 1.00 12.65 C ATOM 293 CD GLU A 18 -11.741 -2.494 -9.109 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.710 -3.258 -8.857 1.00 14.33 O ATOM 295 OE2 GLU A 18 -11.761 -1.246 -8.936 1.00 18.17 O ATOM 0 H GLU A 18 -7.774 -2.648 -7.568 1.00 7.29 H new ATOM 0 HA GLU A 18 -10.579 -2.776 -6.760 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.030 -4.521 -8.657 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -10.688 -4.771 -8.147 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -9.686 -2.389 -9.763 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.566 -3.762 -10.402 1.00 12.65 H new ATOM 302 N PRO A 19 -9.995 -4.710 -5.047 1.00 7.24 N ATOM 303 CA PRO A 19 -9.542 -5.358 -3.850 1.00 7.07 C ATOM 304 C PRO A 19 -9.158 -6.781 -4.066 1.00 6.65 C ATOM 305 O PRO A 19 -8.593 -7.376 -3.150 1.00 6.37 O ATOM 306 CB PRO A 19 -10.709 -5.265 -2.870 1.00 7.61 C ATOM 307 CG PRO A 19 -11.917 -5.257 -3.820 1.00 8.16 C ATOM 308 CD PRO A 19 -11.426 -4.448 -5.031 1.00 7.49 C ATOM 0 HA PRO A 19 -8.639 -4.872 -3.480 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -10.735 -6.111 -2.183 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -10.661 -4.362 -2.262 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -12.208 -6.268 -4.106 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.788 -4.794 -3.356 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -11.905 -4.774 -5.954 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -11.640 -3.385 -4.919 1.00 7.49 H new ATOM 316 N SER A 20 -9.449 -7.381 -5.234 1.00 6.80 N ATOM 317 CA SER A 20 -8.982 -8.707 -5.495 1.00 6.28 C ATOM 318 C SER A 20 -7.636 -8.682 -6.132 1.00 8.45 C ATOM 319 O SER A 20 -6.946 -9.674 -6.364 1.00 7.26 O ATOM 320 CB SER A 20 -9.931 -9.534 -6.379 1.00 8.57 C ATOM 321 OG SER A 20 -11.260 -9.495 -5.879 1.00 11.13 O ATOM 0 H SER A 20 -9.996 -6.959 -5.984 1.00 6.80 H new ATOM 0 HA SER A 20 -8.935 -9.191 -4.519 1.00 6.28 H new ATOM 0 HB2 SER A 20 -9.911 -9.149 -7.398 1.00 8.57 H new ATOM 0 HB3 SER A 20 -9.585 -10.567 -6.422 1.00 8.57 H new ATOM 0 HG SER A 20 -11.844 -10.027 -6.459 1.00 11.13 H new ATOM 327 N ASP A 21 -7.262 -7.470 -6.578 1.00 7.50 N ATOM 328 CA ASP A 21 -5.952 -7.310 -7.130 1.00 7.70 C ATOM 329 C ASP A 21 -4.923 -7.130 -6.067 1.00 7.08 C ATOM 330 O ASP A 21 -5.215 -6.728 -4.942 1.00 8.11 O ATOM 331 CB ASP A 21 -5.988 -6.008 -7.947 1.00 11.00 C ATOM 332 CG ASP A 21 -6.721 -6.177 -9.271 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.286 -7.264 -9.565 1.00 14.36 O ATOM 334 OD2 ASP A 21 -6.628 -5.238 -10.106 1.00 18.03 O ATOM 0 H ASP A 21 -7.840 -6.630 -6.560 1.00 7.50 H new ATOM 0 HA ASP A 21 -5.695 -8.193 -7.716 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.475 -5.228 -7.362 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -4.968 -5.674 -8.139 1.00 11.00 H new ATOM 339 N THR A 22 -3.635 -7.407 -6.336 1.00 5.37 N ATOM 340 CA THR A 22 -2.759 -7.847 -5.294 1.00 6.01 C ATOM 341 C THR A 22 -2.075 -6.774 -4.519 1.00 8.01 C ATOM 342 O THR A 22 -2.190 -5.599 -4.866 1.00 8.11 O ATOM 343 CB THR A 22 -1.667 -8.816 -5.634 1.00 8.92 C ATOM 344 OG1 THR A 22 -0.814 -8.412 -6.695 1.00 10.22 O ATOM 345 CG2 THR A 22 -2.349 -10.005 -6.331 1.00 9.65 C ATOM 0 H THR A 22 -3.205 -7.329 -7.258 1.00 5.37 H new ATOM 0 HA THR A 22 -3.528 -8.356 -4.713 1.00 6.01 H new ATOM 0 HB THR A 22 -1.121 -8.967 -4.703 1.00 8.92 H new ATOM 0 HG1 THR A 22 -0.133 -9.100 -6.847 1.00 10.22 H new ATOM 0 HG21 THR A 22 -1.598 -10.747 -6.603 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.076 -10.455 -5.655 1.00 9.65 H new ATOM 0 HG23 THR A 22 -2.857 -9.657 -7.230 1.00 9.65 H new ATOM 353 N ILE A 23 -1.381 -7.043 -3.399 1.00 8.32 N ATOM 354 CA ILE A 23 -0.784 -6.046 -2.566 1.00 9.92 C ATOM 355 C ILE A 23 0.522 -5.597 -3.127 1.00 10.01 C ATOM 356 O ILE A 23 0.926 -4.459 -2.895 1.00 8.71 O ATOM 357 CB ILE A 23 -0.610 -6.548 -1.163 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.978 -6.662 -0.471 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.297 -5.608 -0.351 1.00 10.90 C ATOM 360 CD1 ILE A 23 -1.989 -7.540 0.780 1.00 12.30 C ATOM 0 H ILE A 23 -1.230 -7.993 -3.060 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.458 -5.189 -2.538 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.141 -7.531 -1.211 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.317 -5.662 -0.200 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.699 -7.061 -1.185 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.407 -5.994 0.662 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.277 -5.548 -0.825 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.149 -4.614 -0.314 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.994 -7.562 1.200 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.684 -8.553 0.516 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -1.296 -7.133 1.517 1.00 12.30 H new ATOM 372 N GLU A 24 1.198 -6.475 -3.889 1.00 9.54 N ATOM 373 CA GLU A 24 2.313 -6.111 -4.707 1.00 11.81 C ATOM 374 C GLU A 24 1.949 -5.132 -5.769 1.00 11.14 C ATOM 375 O GLU A 24 2.713 -4.176 -5.900 1.00 10.62 O ATOM 376 CB GLU A 24 2.866 -7.420 -5.295 1.00 19.24 C ATOM 377 CG GLU A 24 4.094 -7.340 -6.204 1.00 27.76 C ATOM 378 CD GLU A 24 4.341 -8.580 -7.051 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.766 -9.663 -6.762 1.00 34.80 O ATOM 380 OE2 GLU A 24 5.142 -8.427 -8.012 1.00 36.51 O ATOM 0 H GLU A 24 0.962 -7.466 -3.938 1.00 9.54 H new ATOM 0 HA GLU A 24 3.070 -5.600 -4.111 1.00 11.81 H new ATOM 0 HB2 GLU A 24 3.109 -8.082 -4.464 1.00 19.24 H new ATOM 0 HB3 GLU A 24 2.064 -7.897 -5.859 1.00 19.24 H new ATOM 0 HG2 GLU A 24 3.984 -6.481 -6.866 1.00 27.76 H new ATOM 0 HG3 GLU A 24 4.974 -7.157 -5.588 1.00 27.76 H new ATOM 387 N ASN A 25 0.831 -5.320 -6.494 1.00 9.43 N ATOM 388 CA ASN A 25 0.389 -4.408 -7.503 1.00 10.96 C ATOM 389 C ASN A 25 0.032 -3.075 -6.941 1.00 9.68 C ATOM 390 O ASN A 25 0.162 -2.096 -7.674 1.00 9.33 O ATOM 391 CB ASN A 25 -0.836 -5.068 -8.157 1.00 16.78 C ATOM 392 CG ASN A 25 -1.486 -4.380 -9.349 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.565 -3.796 -9.256 1.00 25.66 O ATOM 394 ND2 ASN A 25 -0.883 -4.554 -10.555 1.00 24.70 N ATOM 0 H ASN A 25 0.219 -6.127 -6.375 1.00 9.43 H new ATOM 0 HA ASN A 25 1.185 -4.219 -8.223 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -0.543 -6.069 -8.472 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.598 -5.186 -7.387 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -1.325 -4.198 -11.402 1.00 24.70 H new ATOM 0 HD22 ASN A 25 0.012 -5.041 -10.612 1.00 24.70 H new ATOM 401 N VAL A 26 -0.262 -2.902 -5.640 1.00 6.52 N ATOM 402 CA VAL A 26 -0.363 -1.595 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 0.973 -0.955 -4.911 1.00 4.42 C ATOM 404 O VAL A 26 1.066 0.247 -5.159 1.00 3.40 O ATOM 405 CB VAL A 26 -0.993 -1.667 -3.710 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.141 -0.382 -2.878 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.433 -2.204 -3.645 1.00 8.12 C ATOM 0 H VAL A 26 -0.429 -3.665 -4.985 1.00 6.52 H new ATOM 0 HA VAL A 26 -0.972 -1.002 -5.751 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.230 -2.333 -3.307 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.616 -0.618 -1.926 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.157 0.049 -2.696 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.756 0.335 -3.422 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -2.774 -2.206 -2.610 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.086 -1.567 -4.241 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.460 -3.220 -4.038 1.00 8.12 H new ATOM 417 N LYS A 27 1.946 -1.781 -4.487 1.00 2.64 N ATOM 418 CA LYS A 27 3.272 -1.256 -4.378 1.00 4.14 C ATOM 419 C LYS A 27 3.890 -0.895 -5.685 1.00 5.58 C ATOM 420 O LYS A 27 4.653 0.065 -5.782 1.00 4.11 O ATOM 421 CB LYS A 27 4.219 -2.286 -3.739 1.00 3.97 C ATOM 422 CG LYS A 27 3.950 -2.540 -2.254 1.00 7.45 C ATOM 423 CD LYS A 27 4.999 -3.495 -1.681 1.00 9.02 C ATOM 424 CE LYS A 27 4.919 -3.738 -0.173 1.00 12.90 C ATOM 425 NZ LYS A 27 6.110 -4.536 0.192 1.00 15.47 N ATOM 0 H LYS A 27 1.828 -2.761 -4.232 1.00 2.64 H new ATOM 0 HA LYS A 27 3.155 -0.359 -3.770 1.00 4.14 H new ATOM 0 HB2 LYS A 27 4.133 -3.228 -4.280 1.00 3.97 H new ATOM 0 HB3 LYS A 27 5.247 -1.943 -3.858 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.969 -1.597 -1.707 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.954 -2.963 -2.125 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.908 -4.454 -2.191 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.988 -3.102 -1.916 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.904 -2.794 0.371 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.003 -4.269 0.085 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.972 -4.955 1.134 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.248 -5.294 -0.507 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.949 -3.921 0.206 1.00 15.47 H new ATOM 439 N ALA A 28 3.656 -1.697 -6.739 1.00 6.61 N ATOM 440 CA ALA A 28 4.010 -1.342 -8.078 1.00 7.74 C ATOM 441 C ALA A 28 3.336 -0.172 -8.708 1.00 9.17 C ATOM 442 O ALA A 28 3.753 0.266 -9.779 1.00 11.45 O ATOM 443 CB ALA A 28 3.802 -2.649 -8.863 1.00 7.68 C ATOM 0 H ALA A 28 3.211 -2.612 -6.659 1.00 6.61 H new ATOM 0 HA ALA A 28 5.031 -0.960 -8.082 1.00 7.74 H new ATOM 0 HB1 ALA A 28 4.048 -2.486 -9.912 1.00 7.68 H new ATOM 0 HB2 ALA A 28 4.449 -3.425 -8.455 1.00 7.68 H new ATOM 0 HB3 ALA A 28 2.761 -2.963 -8.778 1.00 7.68 H new ATOM 449 N LYS A 29 2.273 0.338 -8.061 1.00 8.96 N ATOM 450 CA LYS A 29 1.720 1.613 -8.397 1.00 7.90 C ATOM 451 C LYS A 29 2.419 2.755 -7.743 1.00 6.92 C ATOM 452 O LYS A 29 2.654 3.821 -8.309 1.00 6.87 O ATOM 453 CB LYS A 29 0.214 1.723 -8.110 1.00 10.28 C ATOM 454 CG LYS A 29 -0.668 1.013 -9.139 1.00 14.94 C ATOM 455 CD LYS A 29 -0.400 1.536 -10.552 1.00 19.69 C ATOM 456 CE LYS A 29 -1.530 1.267 -11.547 1.00 22.63 C ATOM 457 NZ LYS A 29 -2.039 -0.123 -11.558 1.00 24.98 N ATOM 0 H LYS A 29 1.792 -0.138 -7.298 1.00 8.96 H new ATOM 0 HA LYS A 29 1.875 1.680 -9.474 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.011 1.307 -7.123 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.063 2.777 -8.074 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.480 -0.060 -9.104 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.718 1.162 -8.886 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -0.224 2.610 -10.502 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.516 1.080 -10.928 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.358 1.939 -11.323 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -1.179 1.517 -12.548 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -2.800 -0.208 -12.261 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -1.266 -0.774 -11.804 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -2.409 -0.365 -10.617 1.00 24.98 H new ATOM 471 N ILE A 30 2.837 2.620 -6.472 1.00 4.57 N ATOM 472 CA ILE A 30 3.841 3.457 -5.891 1.00 5.58 C ATOM 473 C ILE A 30 5.133 3.518 -6.630 1.00 7.26 C ATOM 474 O ILE A 30 5.755 4.566 -6.800 1.00 9.46 O ATOM 475 CB ILE A 30 4.031 3.071 -4.454 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.715 3.135 -3.660 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.189 3.895 -3.865 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.595 2.410 -2.321 1.00 2.00 C ATOM 0 H ILE A 30 2.470 1.914 -5.834 1.00 4.57 H new ATOM 0 HA ILE A 30 3.469 4.479 -5.962 1.00 5.58 H new ATOM 0 HB ILE A 30 4.319 2.022 -4.380 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.496 4.187 -3.480 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.927 2.752 -4.308 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.335 3.622 -2.820 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.102 3.691 -4.425 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.951 4.957 -3.933 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.598 2.568 -1.910 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.761 1.343 -2.469 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.340 2.801 -1.628 1.00 2.00 H new ATOM 490 N GLN A 31 5.634 2.389 -7.163 1.00 7.06 N ATOM 491 CA GLN A 31 6.753 2.394 -8.053 1.00 8.67 C ATOM 492 C GLN A 31 6.589 3.274 -9.245 1.00 10.90 C ATOM 493 O GLN A 31 7.506 3.978 -9.664 1.00 9.63 O ATOM 494 CB GLN A 31 7.109 0.939 -8.404 1.00 9.12 C ATOM 495 CG GLN A 31 8.066 0.779 -9.587 1.00 10.76 C ATOM 496 CD GLN A 31 8.496 -0.661 -9.831 1.00 13.78 C ATOM 497 OE1 GLN A 31 9.507 -1.142 -9.322 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.610 -1.560 -10.338 1.00 14.76 N ATOM 0 H GLN A 31 5.257 1.460 -6.974 1.00 7.06 H new ATOM 0 HA GLN A 31 7.596 2.852 -7.536 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.555 0.468 -7.528 1.00 9.12 H new ATOM 0 HB3 GLN A 31 6.189 0.398 -8.624 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.586 1.164 -10.487 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.952 1.390 -9.412 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.748 -1.235 -10.776 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.808 -2.559 -10.280 1.00 14.76 H new ATOM 507 N ASP A 32 5.363 3.378 -9.787 1.00 10.93 N ATOM 508 CA ASP A 32 5.007 4.384 -10.739 1.00 14.01 C ATOM 509 C ASP A 32 5.073 5.786 -10.240 1.00 14.04 C ATOM 510 O ASP A 32 5.722 6.639 -10.844 1.00 13.39 O ATOM 511 CB ASP A 32 3.585 4.125 -11.264 1.00 18.01 C ATOM 512 CG ASP A 32 3.155 4.952 -12.468 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.482 4.491 -13.594 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.483 6.014 -12.375 1.00 25.17 O ATOM 0 H ASP A 32 4.597 2.745 -9.557 1.00 10.93 H new ATOM 0 HA ASP A 32 5.759 4.302 -11.524 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.502 3.070 -11.525 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.881 4.308 -10.452 1.00 18.01 H new ATOM 519 N LYS A 33 4.350 6.130 -9.159 1.00 14.22 N ATOM 520 CA LYS A 33 4.018 7.384 -8.557 1.00 14.00 C ATOM 521 C LYS A 33 5.250 8.024 -8.017 1.00 12.37 C ATOM 522 O LYS A 33 5.679 9.087 -8.463 1.00 12.17 O ATOM 523 CB LYS A 33 2.918 7.263 -7.490 1.00 18.62 C ATOM 524 CG LYS A 33 2.158 8.495 -6.995 1.00 24.00 C ATOM 525 CD LYS A 33 1.193 8.997 -8.072 1.00 27.61 C ATOM 526 CE LYS A 33 0.289 10.169 -7.685 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.485 10.513 -8.899 1.00 30.06 N ATOM 0 H LYS A 33 3.924 5.381 -8.613 1.00 14.22 H new ATOM 0 HA LYS A 33 3.599 8.025 -9.332 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.176 6.564 -7.875 1.00 18.62 H new ATOM 0 HB3 LYS A 33 3.372 6.796 -6.616 1.00 18.62 H new ATOM 0 HG2 LYS A 33 1.605 8.249 -6.089 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.863 9.284 -6.734 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.777 9.290 -8.944 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.560 8.164 -8.378 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.375 9.894 -6.865 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.879 11.020 -7.346 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.121 11.310 -8.691 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.168 10.781 -9.663 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.047 9.690 -9.197 1.00 30.06 H new ATOM 541 N GLU A 34 5.866 7.390 -7.003 1.00 10.11 N ATOM 542 CA GLU A 34 6.976 7.943 -6.291 1.00 10.07 C ATOM 543 C GLU A 34 8.310 7.539 -6.818 1.00 9.32 C ATOM 544 O GLU A 34 9.291 8.281 -6.844 1.00 11.61 O ATOM 545 CB GLU A 34 6.845 7.617 -4.794 1.00 14.77 C ATOM 546 CG GLU A 34 5.786 8.487 -4.113 1.00 18.75 C ATOM 547 CD GLU A 34 5.955 9.998 -4.043 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.809 10.551 -3.300 1.00 21.95 O ATOM 549 OE2 GLU A 34 5.178 10.649 -4.792 1.00 25.19 O ATOM 0 H GLU A 34 5.585 6.468 -6.669 1.00 10.11 H new ATOM 0 HA GLU A 34 6.934 9.022 -6.442 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.585 6.566 -4.673 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.807 7.766 -4.304 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.838 8.292 -4.615 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.684 8.127 -3.089 1.00 18.75 H new ATOM 556 N GLY A 35 8.479 6.380 -7.479 1.00 7.22 N ATOM 557 CA GLY A 35 9.639 5.828 -8.108 1.00 6.29 C ATOM 558 C GLY A 35 10.435 4.864 -7.298 1.00 6.93 C ATOM 559 O GLY A 35 11.655 4.806 -7.449 1.00 7.41 O ATOM 0 H GLY A 35 7.688 5.745 -7.584 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.326 5.328 -9.024 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.293 6.650 -8.401 1.00 6.29 H new ATOM 563 N ILE A 36 9.792 4.141 -6.364 1.00 5.86 N ATOM 564 CA ILE A 36 10.396 3.441 -5.273 1.00 6.07 C ATOM 565 C ILE A 36 10.059 1.995 -5.402 1.00 6.36 C ATOM 566 O ILE A 36 8.862 1.716 -5.431 1.00 6.18 O ATOM 567 CB ILE A 36 9.796 3.875 -3.969 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.275 5.327 -3.807 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.470 3.081 -2.837 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.505 6.045 -2.700 1.00 9.49 C ATOM 0 H ILE A 36 8.777 4.039 -6.373 1.00 5.86 H new ATOM 0 HA ILE A 36 11.468 3.637 -5.294 1.00 6.07 H new ATOM 0 HB ILE A 36 8.714 3.744 -3.942 1.00 7.47 H new ATOM 0 HG12 ILE A 36 11.340 5.337 -3.577 1.00 8.52 H new ATOM 0 HG13 ILE A 36 10.147 5.862 -4.748 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.047 3.383 -1.879 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.300 2.015 -2.989 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.541 3.282 -2.840 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.867 7.069 -2.610 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.443 6.056 -2.944 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.655 5.523 -1.755 1.00 9.49 H new ATOM 582 N PRO A 37 10.894 1.010 -5.557 1.00 8.65 N ATOM 583 CA PRO A 37 10.487 -0.291 -6.001 1.00 9.18 C ATOM 584 C PRO A 37 9.741 -1.095 -4.992 1.00 9.85 C ATOM 585 O PRO A 37 10.050 -0.795 -3.840 1.00 8.51 O ATOM 586 CB PRO A 37 11.784 -1.014 -6.357 1.00 11.42 C ATOM 587 CG PRO A 37 12.878 0.040 -6.588 1.00 9.27 C ATOM 588 CD PRO A 37 12.316 1.221 -5.780 1.00 8.33 C ATOM 0 HA PRO A 37 9.790 -0.175 -6.831 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.073 -1.692 -5.554 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.647 -1.621 -7.252 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.851 -0.287 -6.220 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.001 0.283 -7.643 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.838 1.307 -4.827 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.478 2.155 -6.317 1.00 8.33 H new ATOM 596 N PRO A 38 9.000 -2.132 -5.248 1.00 8.71 N ATOM 597 CA PRO A 38 8.211 -2.783 -4.244 1.00 9.08 C ATOM 598 C PRO A 38 8.994 -3.633 -3.303 1.00 9.28 C ATOM 599 O PRO A 38 8.423 -3.858 -2.237 1.00 6.50 O ATOM 600 CB PRO A 38 7.225 -3.598 -5.078 1.00 10.31 C ATOM 601 CG PRO A 38 8.030 -4.040 -6.309 1.00 10.81 C ATOM 602 CD PRO A 38 8.787 -2.726 -6.559 1.00 12.00 C ATOM 0 HA PRO A 38 7.739 -2.070 -3.569 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.850 -4.456 -4.521 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.359 -3.000 -5.364 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.694 -4.880 -6.103 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.398 -4.332 -7.147 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.736 -2.912 -7.062 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.211 -2.059 -7.201 1.00 12.00 H new ATOM 610 N ASP A 39 10.256 -4.022 -3.557 1.00 11.20 N ATOM 611 CA ASP A 39 10.982 -4.772 -2.580 1.00 14.96 C ATOM 612 C ASP A 39 11.551 -3.945 -1.478 1.00 13.99 C ATOM 613 O ASP A 39 11.662 -4.427 -0.352 1.00 13.75 O ATOM 614 CB ASP A 39 12.080 -5.569 -3.304 1.00 24.16 C ATOM 615 CG ASP A 39 12.986 -6.371 -2.381 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.431 -7.101 -1.517 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.242 -6.288 -2.441 1.00 35.55 O ATOM 0 H ASP A 39 10.765 -3.823 -4.418 1.00 11.20 H new ATOM 0 HA ASP A 39 10.280 -5.442 -2.084 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.610 -6.250 -4.014 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.692 -4.878 -3.883 1.00 24.16 H new ATOM 622 N GLN A 40 11.882 -2.677 -1.778 1.00 11.60 N ATOM 623 CA GLN A 40 12.287 -1.660 -0.858 1.00 10.76 C ATOM 624 C GLN A 40 11.184 -1.021 -0.086 1.00 8.01 C ATOM 625 O GLN A 40 11.380 -0.455 0.989 1.00 8.96 O ATOM 626 CB GLN A 40 12.989 -0.573 -1.690 1.00 11.14 C ATOM 627 CG GLN A 40 14.201 -1.134 -2.437 1.00 14.85 C ATOM 628 CD GLN A 40 14.869 -0.103 -3.335 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.530 1.080 -3.339 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.822 -0.544 -4.199 1.00 18.16 N ATOM 0 H GLN A 40 11.865 -2.337 -2.740 1.00 11.60 H new ATOM 0 HA GLN A 40 12.923 -2.136 -0.111 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.284 -0.149 -2.405 1.00 11.14 H new ATOM 0 HB3 GLN A 40 13.307 0.239 -1.036 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.928 -1.505 -1.714 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.888 -1.986 -3.040 1.00 14.85 H new ATOM 0 HE21 GLN A 40 16.101 -1.525 -4.193 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.258 0.106 -4.853 1.00 18.16 H new ATOM 639 N GLN A 41 9.952 -1.067 -0.623 1.00 6.52 N ATOM 640 CA GLN A 41 8.738 -0.689 0.032 1.00 3.87 C ATOM 641 C GLN A 41 8.193 -1.557 1.113 1.00 4.79 C ATOM 642 O GLN A 41 8.068 -2.774 0.979 1.00 6.34 O ATOM 643 CB GLN A 41 7.607 -0.578 -1.005 1.00 4.20 C ATOM 644 CG GLN A 41 7.834 0.606 -1.948 1.00 3.20 C ATOM 645 CD GLN A 41 6.597 0.746 -2.823 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.528 0.771 -2.214 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.741 0.587 -4.166 1.00 7.13 N ATOM 0 H GLN A 41 9.794 -1.390 -1.578 1.00 6.52 H new ATOM 0 HA GLN A 41 9.040 0.239 0.518 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.548 -1.500 -1.583 1.00 4.20 H new ATOM 0 HB3 GLN A 41 6.652 -0.461 -0.494 1.00 4.20 H new ATOM 0 HG2 GLN A 41 8.005 1.520 -1.379 1.00 3.20 H new ATOM 0 HG3 GLN A 41 8.720 0.442 -2.562 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.672 0.579 -4.582 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.918 0.475 -4.758 1.00 7.13 H new ATOM 656 N ARG A 42 7.676 -0.954 2.198 1.00 5.73 N ATOM 657 CA ARG A 42 6.746 -1.520 3.125 1.00 6.97 C ATOM 658 C ARG A 42 5.457 -0.779 3.217 1.00 7.15 C ATOM 659 O ARG A 42 5.434 0.449 3.136 1.00 7.33 O ATOM 660 CB ARG A 42 7.341 -1.643 4.538 1.00 13.23 C ATOM 661 CG ARG A 42 6.529 -2.258 5.679 1.00 21.27 C ATOM 662 CD ARG A 42 7.378 -2.554 6.917 1.00 26.14 C ATOM 663 NE ARG A 42 6.542 -2.965 8.080 1.00 32.26 N ATOM 664 CZ ARG A 42 7.070 -3.355 9.277 1.00 34.32 C ATOM 665 NH1 ARG A 42 8.341 -3.014 9.638 1.00 35.30 N ATOM 666 NH2 ARG A 42 6.263 -4.003 10.168 1.00 36.39 N ATOM 0 H ARG A 42 7.929 0.003 2.445 1.00 5.73 H new ATOM 0 HA ARG A 42 6.537 -2.510 2.721 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.259 -2.224 4.449 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.627 -0.640 4.853 1.00 13.23 H new ATOM 0 HG2 ARG A 42 5.721 -1.579 5.952 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.065 -3.182 5.332 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.093 -3.344 6.686 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.956 -1.668 7.181 1.00 26.14 H new ATOM 0 HE ARG A 42 5.527 -2.954 7.977 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.918 -2.456 9.008 1.00 35.30 H new ATOM 0 HH12 ARG A 42 8.714 -3.317 10.538 1.00 35.30 H new ATOM 0 HH21 ARG A 42 5.288 -4.186 9.933 1.00 36.39 H new ATOM 0 HH22 ARG A 42 6.636 -4.304 11.069 1.00 36.39 H new ATOM 680 N LEU A 43 4.311 -1.434 3.471 1.00 4.65 N ATOM 681 CA LEU A 43 3.046 -0.778 3.583 1.00 3.51 C ATOM 682 C LEU A 43 2.362 -1.148 4.854 1.00 5.56 C ATOM 683 O LEU A 43 2.063 -2.303 5.156 1.00 4.19 O ATOM 684 CB LEU A 43 2.114 -1.172 2.425 1.00 3.74 C ATOM 685 CG LEU A 43 2.571 -0.871 0.988 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.542 -1.372 -0.039 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.753 0.645 0.806 1.00 9.55 C ATOM 0 H LEU A 43 4.262 -2.444 3.602 1.00 4.65 H new ATOM 0 HA LEU A 43 3.246 0.293 3.559 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.928 -2.244 2.497 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.159 -0.671 2.582 1.00 3.74 H new ATOM 0 HG LEU A 43 3.516 -1.388 0.823 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.893 -1.145 -1.046 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.417 -2.450 0.067 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.586 -0.877 0.132 1.00 6.41 H new ATOM 0 HD21 LEU A 43 3.077 0.853 -0.214 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.806 1.151 0.996 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.505 1.008 1.507 1.00 9.55 H new ATOM 699 N ILE A 44 2.196 -0.205 5.798 1.00 4.58 N ATOM 700 CA ILE A 44 1.634 -0.485 7.083 1.00 5.55 C ATOM 701 C ILE A 44 0.182 -0.156 7.006 1.00 5.46 C ATOM 702 O ILE A 44 -0.261 0.898 6.554 1.00 6.04 O ATOM 703 CB ILE A 44 2.251 0.465 8.066 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.769 0.218 8.084 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.670 0.031 9.422 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.516 1.131 9.055 1.00 13.90 C ATOM 0 H ILE A 44 2.457 0.772 5.666 1.00 4.58 H new ATOM 0 HA ILE A 44 1.802 -1.522 7.374 1.00 5.55 H new ATOM 0 HB ILE A 44 2.059 1.513 7.834 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.958 -0.821 8.354 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.166 0.364 7.080 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.066 0.672 10.209 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.584 0.116 9.396 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.948 -1.004 9.623 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.582 0.906 9.019 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.355 2.171 8.773 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.144 0.968 10.067 1.00 13.90 H new ATOM 718 N PHE A 45 -0.716 -1.098 7.345 1.00 6.75 N ATOM 719 CA PHE A 45 -2.139 -0.958 7.371 1.00 4.70 C ATOM 720 C PHE A 45 -2.498 -0.686 8.792 1.00 6.34 C ATOM 721 O PHE A 45 -3.089 0.368 9.022 1.00 5.45 O ATOM 722 CB PHE A 45 -2.695 -2.243 6.735 1.00 5.51 C ATOM 723 CG PHE A 45 -4.184 -2.301 6.756 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.993 -1.213 6.529 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.765 -3.510 7.059 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.334 -1.270 6.830 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.135 -3.592 7.134 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.929 -2.470 7.139 1.00 6.84 C ATOM 0 H PHE A 45 -0.421 -2.034 7.624 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.569 -0.135 6.800 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.348 -2.312 5.704 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.295 -3.108 7.265 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.574 -0.309 6.112 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.154 -4.383 7.236 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.924 -0.365 6.824 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.600 -4.565 7.191 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.981 -2.529 7.377 1.00 6.84 H new ATOM 738 N ALA A 46 -2.224 -1.625 9.715 1.00 6.53 N ATOM 739 CA ALA A 46 -2.441 -1.565 11.127 1.00 7.15 C ATOM 740 C ALA A 46 -1.241 -2.222 11.717 1.00 9.00 C ATOM 741 O ALA A 46 -0.117 -1.817 11.429 1.00 11.15 O ATOM 742 CB ALA A 46 -3.753 -2.281 11.489 1.00 8.99 C ATOM 0 H ALA A 46 -1.808 -2.515 9.442 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.552 -0.550 11.508 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.910 -2.230 12.566 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.585 -1.796 10.978 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.695 -3.325 11.180 1.00 8.99 H new ATOM 748 N GLY A 47 -1.414 -3.208 12.616 1.00 9.35 N ATOM 749 CA GLY A 47 -0.355 -3.810 13.366 1.00 11.68 C ATOM 750 C GLY A 47 -0.028 -5.207 12.966 1.00 11.14 C ATOM 751 O GLY A 47 0.702 -5.894 13.679 1.00 13.93 O ATOM 0 H GLY A 47 -2.330 -3.602 12.829 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.540 -3.197 13.262 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -0.625 -3.802 14.422 1.00 11.68 H new ATOM 755 N LYS A 48 -0.670 -5.642 11.867 1.00 10.47 N ATOM 756 CA LYS A 48 -0.352 -6.860 11.188 1.00 8.82 C ATOM 757 C LYS A 48 0.240 -6.694 9.831 1.00 7.68 C ATOM 758 O LYS A 48 -0.372 -6.131 8.925 1.00 6.47 O ATOM 759 CB LYS A 48 -1.592 -7.770 11.159 1.00 9.74 C ATOM 760 CG LYS A 48 -1.270 -9.175 10.646 1.00 14.14 C ATOM 761 CD LYS A 48 -2.402 -10.198 10.757 1.00 16.32 C ATOM 762 CE LYS A 48 -2.142 -11.573 10.138 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.320 -12.468 10.199 1.00 23.92 N ATOM 0 H LYS A 48 -1.438 -5.127 11.436 1.00 10.47 H new ATOM 0 HA LYS A 48 0.446 -7.330 11.763 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.012 -7.840 12.162 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.355 -7.320 10.524 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.974 -9.101 9.600 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.408 -9.554 11.195 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.634 -10.337 11.813 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.291 -9.775 10.289 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.843 -11.446 9.098 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.307 -12.046 10.655 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.084 -13.383 9.765 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -3.593 -12.616 11.192 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.112 -12.035 9.683 1.00 23.92 H new ATOM 777 N GLN A 49 1.490 -7.173 9.702 1.00 8.89 N ATOM 778 CA GLN A 49 2.366 -6.982 8.588 1.00 7.18 C ATOM 779 C GLN A 49 1.872 -7.707 7.384 1.00 8.23 C ATOM 780 O GLN A 49 1.573 -8.900 7.367 1.00 9.70 O ATOM 781 CB GLN A 49 3.744 -7.429 9.105 1.00 11.67 C ATOM 782 CG GLN A 49 4.850 -7.238 8.064 1.00 15.82 C ATOM 783 CD GLN A 49 6.189 -7.629 8.673 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.330 -7.620 9.894 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.126 -8.122 7.819 1.00 20.67 N ATOM 0 H GLN A 49 1.920 -7.738 10.434 1.00 8.89 H new ATOM 0 HA GLN A 49 2.421 -5.950 8.240 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.993 -6.863 10.003 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.698 -8.479 9.393 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.646 -7.848 7.184 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.878 -6.200 7.733 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.958 -8.105 6.813 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.996 -8.508 8.185 1.00 20.67 H new ATOM 794 N LEU A 50 1.773 -7.023 6.230 1.00 6.51 N ATOM 795 CA LEU A 50 1.247 -7.598 5.031 1.00 7.41 C ATOM 796 C LEU A 50 2.192 -8.518 4.338 1.00 8.27 C ATOM 797 O LEU A 50 3.407 -8.408 4.498 1.00 8.34 O ATOM 798 CB LEU A 50 0.867 -6.426 4.110 1.00 7.13 C ATOM 799 CG LEU A 50 0.082 -5.286 4.780 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.424 -4.195 3.822 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.106 -5.866 5.565 1.00 8.14 C ATOM 0 H LEU A 50 2.064 -6.051 6.128 1.00 6.51 H new ATOM 0 HA LEU A 50 0.389 -8.219 5.287 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.780 -6.012 3.682 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.274 -6.815 3.282 1.00 7.13 H new ATOM 0 HG LEU A 50 0.795 -4.793 5.441 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -0.965 -3.436 4.388 1.00 9.11 H new ATOM 0 HD12 LEU A 50 0.424 -3.734 3.315 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.090 -4.640 3.083 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.660 -5.055 6.038 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.764 -6.405 4.884 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.738 -6.549 6.330 1.00 8.14 H new ATOM 813 N GLU A 51 1.637 -9.481 3.581 1.00 9.43 N ATOM 814 CA GLU A 51 2.394 -10.177 2.587 1.00 11.90 C ATOM 815 C GLU A 51 2.104 -9.667 1.217 1.00 11.49 C ATOM 816 O GLU A 51 1.014 -9.182 0.917 1.00 9.88 O ATOM 817 CB GLU A 51 1.915 -11.638 2.608 1.00 16.56 C ATOM 818 CG GLU A 51 2.625 -12.434 3.705 1.00 26.06 C ATOM 819 CD GLU A 51 2.240 -13.901 3.824 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.286 -14.665 2.823 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.914 -14.323 4.965 1.00 32.13 O ATOM 0 H GLU A 51 0.664 -9.778 3.657 1.00 9.43 H new ATOM 0 HA GLU A 51 3.455 -10.053 2.803 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.838 -11.669 2.771 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.104 -12.100 1.639 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.699 -12.374 3.531 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.429 -11.949 4.662 1.00 26.06 H new ATOM 828 N ASP A 52 3.076 -9.736 0.290 1.00 12.71 N ATOM 829 CA ASP A 52 3.005 -9.269 -1.059 1.00 16.56 C ATOM 830 C ASP A 52 2.093 -9.925 -2.038 1.00 15.83 C ATOM 831 O ASP A 52 1.309 -9.283 -2.736 1.00 17.21 O ATOM 832 CB ASP A 52 4.440 -9.214 -1.608 1.00 21.05 C ATOM 833 CG ASP A 52 5.196 -8.153 -0.821 1.00 25.12 C ATOM 834 OD1 ASP A 52 5.184 -6.932 -1.132 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.755 -8.653 0.192 1.00 28.37 O ATOM 0 H ASP A 52 3.983 -10.152 0.503 1.00 12.71 H new ATOM 0 HA ASP A 52 2.514 -8.301 -0.966 1.00 16.56 H new ATOM 0 HB2 ASP A 52 4.926 -10.184 -1.506 1.00 21.05 H new ATOM 0 HB3 ASP A 52 4.434 -8.970 -2.670 1.00 21.05 H new ATOM 840 N GLY A 53 2.061 -11.270 -2.049 1.00 15.00 N ATOM 841 CA GLY A 53 1.245 -11.998 -2.971 1.00 11.77 C ATOM 842 C GLY A 53 -0.063 -12.382 -2.371 1.00 11.10 C ATOM 843 O GLY A 53 -0.497 -13.533 -2.356 1.00 11.25 O ATOM 0 H GLY A 53 2.604 -11.856 -1.415 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.073 -11.392 -3.860 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.774 -12.895 -3.294 1.00 11.77 H new ATOM 847 N ARG A 54 -0.669 -11.354 -1.750 1.00 8.53 N ATOM 848 CA ARG A 54 -1.986 -11.484 -1.209 1.00 9.05 C ATOM 849 C ARG A 54 -2.751 -10.346 -1.792 1.00 8.96 C ATOM 850 O ARG A 54 -2.201 -9.368 -2.295 1.00 11.60 O ATOM 851 CB ARG A 54 -1.945 -11.468 0.329 1.00 7.97 C ATOM 852 CG ARG A 54 -1.435 -12.754 0.982 1.00 9.62 C ATOM 853 CD ARG A 54 -2.353 -13.945 0.701 1.00 12.20 C ATOM 854 NE ARG A 54 -1.628 -15.075 1.346 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.239 -16.263 1.629 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.416 -16.614 1.035 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.682 -17.089 2.562 1.00 25.50 N ATOM 0 H ARG A 54 -0.247 -10.434 -1.623 1.00 8.53 H new ATOM 0 HA ARG A 54 -2.462 -12.432 -1.461 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.312 -10.641 0.651 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -2.949 -11.265 0.701 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -0.433 -12.974 0.614 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.354 -12.606 2.059 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.345 -13.802 1.130 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.489 -14.108 -0.368 1.00 12.20 H new ATOM 0 HE ARG A 54 -0.643 -14.958 1.584 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.857 -15.984 0.365 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.855 -17.506 1.261 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.822 -16.815 3.037 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.126 -17.980 2.785 1.00 25.50 H new ATOM 871 N THR A 55 -4.096 -10.371 -1.779 1.00 9.05 N ATOM 872 CA THR A 55 -4.987 -9.359 -2.255 1.00 9.03 C ATOM 873 C THR A 55 -5.303 -8.436 -1.129 1.00 8.15 C ATOM 874 O THR A 55 -5.018 -8.714 0.035 1.00 5.91 O ATOM 875 CB THR A 55 -6.260 -9.981 -2.748 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.079 -10.692 -1.832 1.00 11.95 O ATOM 877 CG2 THR A 55 -5.956 -11.027 -3.833 1.00 11.71 C ATOM 0 H THR A 55 -4.603 -11.172 -1.401 1.00 9.05 H new ATOM 0 HA THR A 55 -4.515 -8.817 -3.074 1.00 9.03 H new ATOM 0 HB THR A 55 -6.805 -9.090 -3.060 1.00 11.15 H new ATOM 0 HG1 THR A 55 -6.513 -11.203 -1.216 1.00 11.95 H new ATOM 0 HG21 THR A 55 -6.888 -11.471 -4.182 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.447 -10.547 -4.669 1.00 11.71 H new ATOM 0 HG23 THR A 55 -5.316 -11.806 -3.418 1.00 11.71 H new ATOM 885 N LEU A 56 -5.949 -7.276 -1.347 1.00 6.91 N ATOM 886 CA LEU A 56 -6.449 -6.411 -0.324 1.00 8.29 C ATOM 887 C LEU A 56 -7.435 -7.050 0.592 1.00 8.05 C ATOM 888 O LEU A 56 -7.490 -6.755 1.785 1.00 10.17 O ATOM 889 CB LEU A 56 -6.973 -5.064 -0.851 1.00 6.60 C ATOM 890 CG LEU A 56 -6.245 -4.365 -2.011 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.808 -2.969 -2.329 1.00 8.64 C ATOM 892 CD2 LEU A 56 -4.739 -4.145 -1.792 1.00 9.85 C ATOM 0 H LEU A 56 -6.132 -6.924 -2.287 1.00 6.91 H new ATOM 0 HA LEU A 56 -5.565 -6.197 0.276 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.007 -5.215 -1.160 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -6.989 -4.370 -0.011 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.410 -5.069 -2.826 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.250 -2.531 -3.157 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.859 -3.055 -2.605 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.715 -2.330 -1.451 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.314 -3.646 -2.663 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -4.587 -3.525 -0.908 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.248 -5.107 -1.649 1.00 9.85 H new ATOM 904 N SER A 57 -8.183 -7.942 -0.083 1.00 8.92 N ATOM 905 CA SER A 57 -9.200 -8.611 0.669 1.00 9.00 C ATOM 906 C SER A 57 -8.723 -9.520 1.748 1.00 9.44 C ATOM 907 O SER A 57 -9.323 -9.642 2.815 1.00 10.91 O ATOM 908 CB SER A 57 -10.190 -9.299 -0.286 1.00 10.32 C ATOM 909 OG SER A 57 -11.273 -9.853 0.446 1.00 13.59 O ATOM 0 H SER A 57 -8.099 -8.188 -1.069 1.00 8.92 H new ATOM 0 HA SER A 57 -9.713 -7.829 1.228 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.564 -8.579 -1.014 1.00 10.32 H new ATOM 0 HB3 SER A 57 -9.681 -10.083 -0.846 1.00 10.32 H new ATOM 0 HG SER A 57 -11.898 -10.287 -0.172 1.00 13.59 H new ATOM 915 N ASP A 58 -7.582 -10.202 1.540 1.00 9.11 N ATOM 916 CA ASP A 58 -6.974 -11.076 2.494 1.00 7.91 C ATOM 917 C ASP A 58 -6.678 -10.414 3.796 1.00 9.12 C ATOM 918 O ASP A 58 -6.832 -11.086 4.815 1.00 8.61 O ATOM 919 CB ASP A 58 -5.596 -11.496 1.954 1.00 8.41 C ATOM 920 CG ASP A 58 -5.781 -12.521 0.844 1.00 11.50 C ATOM 921 OD1 ASP A 58 -6.266 -13.631 1.191 1.00 11.70 O ATOM 922 OD2 ASP A 58 -5.487 -12.315 -0.364 1.00 10.05 O ATOM 0 H ASP A 58 -7.060 -10.141 0.666 1.00 9.11 H new ATOM 0 HA ASP A 58 -7.675 -11.896 2.646 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.061 -10.625 1.575 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -4.991 -11.918 2.757 1.00 8.41 H new ATOM 927 N TYR A 59 -6.142 -9.183 3.872 1.00 7.97 N ATOM 928 CA TYR A 59 -5.808 -8.489 5.077 1.00 8.45 C ATOM 929 C TYR A 59 -6.879 -7.565 5.545 1.00 10.98 C ATOM 930 O TYR A 59 -6.758 -6.929 6.591 1.00 12.95 O ATOM 931 CB TYR A 59 -4.522 -7.656 4.942 1.00 7.94 C ATOM 932 CG TYR A 59 -3.342 -8.561 5.039 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.823 -9.248 3.967 1.00 4.59 C ATOM 934 CD2 TYR A 59 -2.707 -8.741 6.245 1.00 6.98 C ATOM 935 CE1 TYR A 59 -1.853 -10.209 4.124 1.00 5.39 C ATOM 936 CE2 TYR A 59 -1.676 -9.630 6.435 1.00 6.52 C ATOM 937 CZ TYR A 59 -1.269 -10.381 5.357 1.00 6.76 C ATOM 938 OH TYR A 59 -0.290 -11.393 5.446 1.00 7.63 O ATOM 0 H TYR A 59 -5.928 -8.638 3.037 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.671 -9.288 5.805 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.514 -7.129 3.988 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.481 -6.899 5.725 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.187 -9.026 2.975 1.00 4.59 H new ATOM 0 HD2 TYR A 59 -3.036 -8.152 7.089 1.00 6.98 H new ATOM 0 HE1 TYR A 59 -1.553 -10.823 3.288 1.00 5.39 H new ATOM 0 HE2 TYR A 59 -1.201 -9.735 7.399 1.00 6.52 H new ATOM 0 HH TYR A 59 0.060 -11.430 6.361 1.00 7.63 H new ATOM 948 N ASN A 60 -8.051 -7.652 4.892 1.00 12.38 N ATOM 949 CA ASN A 60 -9.255 -6.942 5.193 1.00 13.94 C ATOM 950 C ASN A 60 -9.140 -5.471 4.981 1.00 14.16 C ATOM 951 O ASN A 60 -9.664 -4.662 5.746 1.00 14.26 O ATOM 952 CB ASN A 60 -10.082 -7.386 6.411 1.00 19.23 C ATOM 953 CG ASN A 60 -10.424 -8.869 6.433 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.610 -9.619 6.968 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.505 -9.386 5.789 1.00 24.09 N ATOM 0 H ASN A 60 -8.164 -8.270 4.088 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.930 -7.299 4.415 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.531 -7.139 7.318 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.008 -6.812 6.435 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.640 -10.396 5.750 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.180 -8.763 5.345 1.00 24.09 H new ATOM 962 N ILE A 61 -8.465 -5.134 3.868 1.00 11.08 N ATOM 963 CA ILE A 61 -8.234 -3.762 3.540 1.00 11.78 C ATOM 964 C ILE A 61 -9.377 -3.329 2.687 1.00 13.74 C ATOM 965 O ILE A 61 -9.883 -4.098 1.871 1.00 14.60 O ATOM 966 CB ILE A 61 -6.905 -3.546 2.880 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.724 -4.108 3.690 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.690 -2.069 2.508 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.589 -4.574 2.780 1.00 11.42 C ATOM 0 H ILE A 61 -8.082 -5.804 3.201 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.185 -3.155 4.444 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.932 -4.122 1.955 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.353 -3.343 4.372 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.066 -4.942 4.302 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.716 -1.952 2.032 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.472 -1.750 1.819 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.729 -1.457 3.409 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.773 -4.965 3.387 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.954 -5.357 2.115 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.230 -3.733 2.187 1.00 11.42 H new ATOM 981 N GLN A 62 -9.954 -2.127 2.862 1.00 13.97 N ATOM 982 CA GLN A 62 -11.182 -1.691 2.273 1.00 15.52 C ATOM 983 C GLN A 62 -11.050 -0.371 1.595 1.00 13.94 C ATOM 984 O GLN A 62 -9.985 0.245 1.613 1.00 12.15 O ATOM 985 CB GLN A 62 -12.236 -1.415 3.358 1.00 19.53 C ATOM 986 CG GLN A 62 -12.521 -2.608 4.272 1.00 26.38 C ATOM 987 CD GLN A 62 -12.853 -3.785 3.365 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.602 -3.671 2.397 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.171 -4.934 3.616 1.00 32.71 N ATOM 0 H GLN A 62 -9.533 -1.412 3.455 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.456 -2.487 1.580 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.902 -0.576 3.968 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.165 -1.110 2.877 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.656 -2.832 4.896 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.351 -2.391 4.944 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.557 -4.996 4.428 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.273 -5.734 2.992 1.00 32.71 H new ATOM 998 N LYS A 63 -12.153 0.172 1.050 1.00 11.73 N ATOM 999 CA LYS A 63 -12.183 1.525 0.587 1.00 11.97 C ATOM 1000 C LYS A 63 -11.939 2.659 1.523 1.00 10.41 C ATOM 1001 O LYS A 63 -12.287 2.534 2.696 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.369 1.817 -0.348 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.711 1.874 0.384 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.856 1.807 -0.628 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.305 1.788 -0.135 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.516 3.122 0.472 1.00 25.97 N ATOM 0 H LYS A 63 -13.032 -0.331 0.929 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.243 1.517 0.036 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.198 2.766 -0.856 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.415 1.047 -1.118 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.787 1.046 1.088 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.780 2.794 0.965 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.751 2.662 -1.296 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.706 0.911 -1.231 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -18.000 1.613 -0.956 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.465 0.993 0.593 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.498 3.201 0.804 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.868 3.244 1.276 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.330 3.859 -0.237 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.372 3.766 1.012 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.880 4.935 1.673 1.00 10.94 C ATOM 1022 C GLU A 64 -9.989 4.718 2.847 1.00 9.74 C ATOM 1023 O GLU A 64 -9.846 5.474 3.807 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.006 5.927 2.007 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.690 6.455 0.745 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.804 7.474 0.942 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.779 8.288 1.903 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -14.764 7.446 0.127 1.00 31.72 O ATOM 0 H GLU A 64 -11.244 3.847 0.003 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.220 5.373 0.924 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.744 5.439 2.643 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.598 6.762 2.576 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.928 6.904 0.108 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.100 5.605 0.200 1.00 24.16 H new ATOM 1035 N SER A 65 -9.280 3.575 2.848 1.00 6.85 N ATOM 1036 CA SER A 65 -8.337 3.238 3.869 1.00 6.90 C ATOM 1037 C SER A 65 -6.930 3.635 3.582 1.00 4.72 C ATOM 1038 O SER A 65 -6.533 3.643 2.418 1.00 3.91 O ATOM 1039 CB SER A 65 -8.138 1.713 3.911 1.00 7.28 C ATOM 1040 OG SER A 65 -9.322 1.112 4.414 1.00 10.56 O ATOM 0 H SER A 65 -9.365 2.866 2.119 1.00 6.85 H new ATOM 0 HA SER A 65 -8.752 3.728 4.750 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.916 1.333 2.914 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.288 1.460 4.545 1.00 7.28 H new ATOM 0 HG SER A 65 -9.826 0.713 3.674 1.00 10.56 H new ATOM 1046 N THR A 66 -6.147 4.036 4.600 1.00 4.48 N ATOM 1047 CA THR A 66 -4.843 4.599 4.434 1.00 3.80 C ATOM 1048 C THR A 66 -3.699 3.670 4.655 1.00 4.60 C ATOM 1049 O THR A 66 -3.665 3.105 5.747 1.00 5.33 O ATOM 1050 CB THR A 66 -4.646 5.804 5.305 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.631 6.796 5.054 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.313 6.515 5.020 1.00 3.40 C ATOM 0 H THR A 66 -6.434 3.965 5.576 1.00 4.48 H new ATOM 0 HA THR A 66 -4.827 4.866 3.377 1.00 3.80 H new ATOM 0 HB THR A 66 -4.692 5.418 6.323 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.475 7.567 5.639 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.215 7.381 5.675 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.487 5.827 5.203 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.290 6.842 3.980 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.810 3.441 3.672 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.658 2.639 3.944 1.00 3.85 C ATOM 1062 C LEU A 67 -0.501 3.567 4.084 1.00 3.80 C ATOM 1063 O LEU A 67 -0.390 4.556 3.360 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.521 1.726 2.713 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.613 0.649 2.593 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.378 -0.438 1.530 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.815 -0.105 3.918 1.00 8.12 C ATOM 0 H LEU A 67 -2.883 3.797 2.719 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.719 2.040 4.853 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.537 2.343 1.815 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.548 1.236 2.746 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.481 1.239 2.298 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.212 -1.140 1.537 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.303 0.025 0.546 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.453 -0.970 1.752 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.594 -0.857 3.793 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.883 -0.592 4.205 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.111 0.599 4.696 1.00 8.12 H new ATOM 1079 N HIS A 68 0.352 3.295 5.087 1.00 2.94 N ATOM 1080 CA HIS A 68 1.530 4.085 5.273 1.00 4.17 C ATOM 1081 C HIS A 68 2.748 3.542 4.608 1.00 5.32 C ATOM 1082 O HIS A 68 3.186 2.460 4.996 1.00 7.70 O ATOM 1083 CB HIS A 68 1.828 4.275 6.770 1.00 5.57 C ATOM 1084 CG HIS A 68 2.792 5.365 7.133 1.00 9.95 C ATOM 1085 ND1 HIS A 68 3.106 6.512 6.433 1.00 13.74 N ATOM 1086 CD2 HIS A 68 3.581 5.444 8.238 1.00 12.79 C ATOM 1087 CE1 HIS A 68 3.976 7.259 7.165 1.00 14.75 C ATOM 1088 NE2 HIS A 68 4.288 6.628 8.282 1.00 16.30 N ATOM 0 H HIS A 68 0.230 2.539 5.761 1.00 2.94 H new ATOM 0 HA HIS A 68 1.304 5.039 4.796 1.00 4.17 H new ATOM 0 HB2 HIS A 68 0.886 4.470 7.282 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.215 3.334 7.162 1.00 5.57 H new ATOM 0 HD1 HIS A 68 2.743 6.760 5.513 1.00 13.74 H new ATOM 0 HD2 HIS A 68 3.646 4.672 8.991 1.00 12.79 H new ATOM 0 HE1 HIS A 68 4.356 8.227 6.875 1.00 14.75 H new ATOM 1096 N LEU A 69 3.283 4.260 3.605 1.00 5.29 N ATOM 1097 CA LEU A 69 4.447 3.783 2.925 1.00 3.97 C ATOM 1098 C LEU A 69 5.676 4.150 3.682 1.00 5.07 C ATOM 1099 O LEU A 69 6.049 5.319 3.774 1.00 4.34 O ATOM 1100 CB LEU A 69 4.527 4.573 1.608 1.00 6.08 C ATOM 1101 CG LEU A 69 5.804 4.393 0.768 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.866 2.930 0.298 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.836 5.428 -0.369 1.00 6.87 C ATOM 0 H LEU A 69 2.920 5.152 3.270 1.00 5.29 H new ATOM 0 HA LEU A 69 4.385 2.702 2.799 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.673 4.293 0.992 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.419 5.633 1.840 1.00 6.08 H new ATOM 0 HG LEU A 69 6.704 4.582 1.353 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.764 2.778 -0.300 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.892 2.270 1.165 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.986 2.704 -0.304 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.743 5.293 -0.958 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.964 5.293 -1.009 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.824 6.433 0.053 1.00 6.87 H new ATOM 1115 N VAL A 70 6.376 3.111 4.170 1.00 4.29 N ATOM 1116 CA VAL A 70 7.706 3.236 4.681 1.00 6.26 C ATOM 1117 C VAL A 70 8.640 2.384 3.892 1.00 9.22 C ATOM 1118 O VAL A 70 8.192 1.729 2.953 1.00 9.36 O ATOM 1119 CB VAL A 70 7.692 2.957 6.154 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.505 3.721 6.765 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.288 1.485 6.347 1.00 8.54 C ATOM 0 H VAL A 70 6.009 2.160 4.211 1.00 4.29 H new ATOM 0 HA VAL A 70 8.082 4.253 4.566 1.00 6.26 H new ATOM 0 HB VAL A 70 8.658 3.215 6.587 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.468 3.537 7.839 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.627 4.789 6.583 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.577 3.379 6.306 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.268 1.250 7.411 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.298 1.320 5.921 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.011 0.841 5.846 1.00 8.54 H new ATOM 1131 N LEU A 71 9.914 2.317 4.319 1.00 12.71 N ATOM 1132 CA LEU A 71 10.810 1.389 3.701 1.00 16.06 C ATOM 1133 C LEU A 71 10.904 0.092 4.429 1.00 18.09 C ATOM 1134 O LEU A 71 10.768 0.005 5.648 1.00 19.26 O ATOM 1135 CB LEU A 71 12.213 2.018 3.669 1.00 17.10 C ATOM 1136 CG LEU A 71 12.288 3.473 3.176 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.649 4.129 3.460 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.832 3.637 1.716 1.00 17.51 C ATOM 0 H LEU A 71 10.314 2.884 5.066 1.00 12.71 H new ATOM 0 HA LEU A 71 10.423 1.181 2.703 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.632 1.974 4.674 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.850 1.406 3.031 1.00 17.10 H new ATOM 0 HG LEU A 71 11.563 4.027 3.772 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.643 5.154 3.090 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.834 4.132 4.534 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.436 3.567 2.957 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.908 4.685 1.427 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.467 3.034 1.067 1.00 17.51 H new ATOM 0 HD23 LEU A 71 10.797 3.308 1.619 1.00 17.51 H new