USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 Set 1.1: A 55 THR OG1 : rot 135:sc= 0.551 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.503 USER MOD Set 2.1: A 7 THR OG1 : rot -42:sc= 0.566 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0482 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -157:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 142:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.41 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= -0.0632 X(o=-0.063,f=0.38) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.04) 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 22 THR OG1 : rot -160:sc= -0.366 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.959) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.149 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.486 -7.046 -4.954 1.00 9.67 N ATOM 2 CA MET A 1 11.639 -6.990 -3.520 1.00 10.38 C ATOM 3 C MET A 1 10.335 -7.391 -2.820 1.00 9.62 C ATOM 4 O MET A 1 9.294 -6.745 -3.031 1.00 9.62 O ATOM 5 CB MET A 1 12.009 -5.527 -3.196 1.00 13.77 C ATOM 6 CG MET A 1 12.203 -5.192 -1.734 1.00 16.29 C ATOM 7 SD MET A 1 12.486 -3.422 -1.385 1.00 17.17 S ATOM 8 CE MET A 1 10.769 -2.968 -1.285 1.00 16.11 C ATOM 0 H1 MET A 1 12.398 -6.837 -5.409 1.00 9.67 H new ATOM 0 H2 MET A 1 11.170 -7.997 -5.233 1.00 9.67 H new ATOM 0 H3 MET A 1 10.780 -6.344 -5.255 1.00 9.67 H new ATOM 0 HA MET A 1 12.405 -7.682 -3.170 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.928 -5.281 -3.728 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.227 -4.880 -3.594 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.323 -5.521 -1.181 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.050 -5.763 -1.354 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.686 -1.902 -1.073 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.278 -3.189 -2.233 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.289 -3.535 -0.487 1.00 16.11 H new ATOM 20 N GLN A 2 10.296 -8.424 -1.975 1.00 9.27 N ATOM 21 CA GLN A 2 9.172 -8.856 -1.242 1.00 9.07 C ATOM 22 C GLN A 2 8.779 -7.928 -0.059 1.00 8.72 C ATOM 23 O GLN A 2 9.615 -7.488 0.685 1.00 8.22 O ATOM 24 CB GLN A 2 9.410 -10.266 -0.592 1.00 14.46 C ATOM 25 CG GLN A 2 8.211 -10.763 0.201 1.00 17.01 C ATOM 26 CD GLN A 2 8.260 -12.303 0.375 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.317 -12.896 1.434 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.148 -13.014 -0.790 1.00 19.49 N ATOM 0 H GLN A 2 11.119 -8.999 -1.795 1.00 9.27 H new ATOM 0 HA GLN A 2 8.378 -8.863 -1.989 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.645 -10.987 -1.375 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.278 -10.215 0.065 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.193 -10.283 1.180 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.290 -10.480 -0.309 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.099 -12.525 -1.684 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.113 -14.033 -0.764 1.00 19.49 H new ATOM 37 N ILE A 3 7.457 -7.674 0.111 1.00 5.87 N ATOM 38 CA ILE A 3 6.834 -6.930 1.202 1.00 5.07 C ATOM 39 C ILE A 3 5.486 -7.570 1.446 1.00 4.01 C ATOM 40 O ILE A 3 4.922 -8.304 0.627 1.00 4.61 O ATOM 41 CB ILE A 3 6.711 -5.373 1.052 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.809 -4.983 -0.084 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.128 -4.815 0.945 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.689 -3.444 -0.157 1.00 10.83 C ATOM 0 H ILE A 3 6.766 -8.010 -0.560 1.00 5.87 H new ATOM 0 HA ILE A 3 7.512 -7.004 2.052 1.00 5.07 H new ATOM 0 HB ILE A 3 6.226 -4.935 1.924 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.204 -5.370 -1.023 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.823 -5.427 0.054 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.085 -3.731 0.839 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.688 -5.070 1.845 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.624 -5.245 0.075 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.033 -3.169 -0.983 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.273 -3.067 0.777 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.676 -3.009 -0.317 1.00 10.83 H new ATOM 56 N PHE A 4 4.864 -7.227 2.589 1.00 4.55 N ATOM 57 CA PHE A 4 3.608 -7.777 3.124 1.00 4.68 C ATOM 58 C PHE A 4 2.532 -6.674 3.319 1.00 5.30 C ATOM 59 O PHE A 4 2.847 -5.724 4.044 1.00 5.58 O ATOM 60 CB PHE A 4 3.854 -8.514 4.447 1.00 4.83 C ATOM 61 CG PHE A 4 4.939 -9.632 4.252 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.712 -10.677 3.385 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.164 -9.542 4.993 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.789 -11.573 3.139 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.132 -10.507 4.865 1.00 10.61 C ATOM 66 CZ PHE A 4 6.938 -11.570 3.966 1.00 8.90 C ATOM 0 H PHE A 4 5.252 -6.511 3.203 1.00 4.55 H new ATOM 0 HA PHE A 4 3.230 -8.488 2.389 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.182 -7.808 5.209 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.924 -8.958 4.803 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.752 -10.812 2.909 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.326 -8.707 5.658 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.729 -12.264 2.311 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.037 -10.450 5.451 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.656 -12.374 3.907 1.00 8.90 H new ATOM 76 N VAL A 5 1.307 -6.718 2.855 1.00 4.44 N ATOM 77 CA VAL A 5 0.246 -5.797 3.226 1.00 3.87 C ATOM 78 C VAL A 5 -0.893 -6.559 4.016 1.00 4.93 C ATOM 79 O VAL A 5 -1.536 -7.562 3.663 1.00 6.84 O ATOM 80 CB VAL A 5 -0.396 -5.152 1.977 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.478 -4.148 2.351 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.723 -4.359 1.303 1.00 9.13 C ATOM 0 H VAL A 5 1.004 -7.422 2.182 1.00 4.44 H new ATOM 0 HA VAL A 5 0.695 -5.024 3.850 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.841 -5.927 1.353 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.904 -3.718 1.445 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.262 -4.652 2.917 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.044 -3.355 2.960 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.336 -3.874 0.407 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.099 -3.602 1.992 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.533 -5.034 1.029 1.00 9.13 H new ATOM 92 N LYS A 6 -1.165 -6.069 5.256 1.00 6.04 N ATOM 93 CA LYS A 6 -2.211 -6.552 6.167 1.00 6.12 C ATOM 94 C LYS A 6 -3.551 -5.841 5.833 1.00 6.57 C ATOM 95 O LYS A 6 -3.565 -4.723 5.378 1.00 5.76 O ATOM 96 CB LYS A 6 -1.874 -6.247 7.606 1.00 7.45 C ATOM 97 CG LYS A 6 -0.494 -6.784 8.012 1.00 11.12 C ATOM 98 CD LYS A 6 -0.440 -8.353 7.902 1.00 14.54 C ATOM 99 CE LYS A 6 -0.687 -9.087 9.237 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.375 -10.507 9.094 1.00 20.55 N ATOM 0 H LYS A 6 -0.633 -5.295 5.654 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.290 -7.631 6.038 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.901 -5.169 7.762 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.635 -6.682 8.254 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.272 -6.345 7.373 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.269 -6.480 9.034 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.184 -8.681 7.176 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.535 -8.646 7.514 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.070 -8.648 10.022 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.726 -8.964 9.542 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.887 -11.050 9.819 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.664 -10.832 8.149 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.648 -10.651 9.212 1.00 20.55 H new ATOM 114 N THR A 7 -4.642 -6.571 6.020 1.00 7.41 N ATOM 115 CA THR A 7 -5.960 -6.154 5.625 1.00 7.48 C ATOM 116 C THR A 7 -7.039 -6.310 6.664 1.00 8.75 C ATOM 117 O THR A 7 -6.962 -7.179 7.534 1.00 8.58 O ATOM 118 CB THR A 7 -6.429 -6.593 4.304 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.884 -7.901 4.345 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.436 -6.441 3.199 1.00 9.17 C ATOM 0 H THR A 7 -4.624 -7.490 6.462 1.00 7.41 H new ATOM 0 HA THR A 7 -5.776 -5.084 5.524 1.00 7.48 H new ATOM 0 HB THR A 7 -7.248 -5.914 4.068 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.273 -8.443 4.886 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.875 -6.792 2.265 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.161 -5.391 3.099 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.547 -7.029 3.425 1.00 9.17 H new ATOM 128 N LEU A 8 -8.082 -5.459 6.631 1.00 9.84 N ATOM 129 CA LEU A 8 -9.061 -5.359 7.688 1.00 14.15 C ATOM 130 C LEU A 8 -9.850 -6.670 8.022 1.00 17.37 C ATOM 131 O LEU A 8 -10.208 -6.916 9.177 1.00 17.01 O ATOM 132 CB LEU A 8 -10.022 -4.102 7.443 1.00 16.63 C ATOM 133 CG LEU A 8 -9.368 -2.728 7.569 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.322 -1.643 7.108 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.902 -2.485 9.039 1.00 18.59 C ATOM 0 H LEU A 8 -8.255 -4.822 5.853 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.484 -5.195 8.598 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.453 -4.188 6.446 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.847 -4.157 8.153 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.489 -2.695 6.926 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.840 -0.670 7.204 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.590 -1.813 6.065 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.222 -1.665 7.723 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.437 -1.502 9.116 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.763 -2.533 9.706 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.180 -3.251 9.323 1.00 18.59 H new ATOM 147 N THR A 9 -10.066 -7.461 7.064 1.00 18.33 N ATOM 148 CA THR A 9 -10.797 -8.720 7.195 1.00 19.24 C ATOM 149 C THR A 9 -10.020 -9.927 7.681 1.00 19.48 C ATOM 150 O THR A 9 -10.431 -11.074 7.560 1.00 23.14 O ATOM 151 CB THR A 9 -11.404 -9.019 5.800 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.328 -8.995 4.820 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.451 -7.991 5.304 1.00 19.70 C ATOM 0 H THR A 9 -9.743 -7.279 6.114 1.00 18.33 H new ATOM 0 HA THR A 9 -11.532 -8.569 7.986 1.00 19.24 H new ATOM 0 HB THR A 9 -11.905 -9.981 5.903 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.692 -9.184 3.930 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.815 -8.288 4.321 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.285 -7.955 6.004 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.990 -7.006 5.237 1.00 19.70 H new ATOM 161 N GLY A 10 -8.841 -9.666 8.292 1.00 19.43 N ATOM 162 CA GLY A 10 -7.915 -10.642 8.862 1.00 18.74 C ATOM 163 C GLY A 10 -6.923 -11.140 7.858 1.00 17.62 C ATOM 164 O GLY A 10 -5.973 -11.856 8.133 1.00 19.74 O ATOM 0 H GLY A 10 -8.502 -8.710 8.401 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.384 -10.189 9.700 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.479 -11.485 9.260 1.00 18.74 H new ATOM 168 N LYS A 11 -7.110 -10.736 6.633 1.00 13.56 N ATOM 169 CA LYS A 11 -6.317 -11.287 5.537 1.00 11.91 C ATOM 170 C LYS A 11 -4.995 -10.516 5.389 1.00 10.18 C ATOM 171 O LYS A 11 -4.816 -9.333 5.721 1.00 9.10 O ATOM 172 CB LYS A 11 -7.134 -11.308 4.143 1.00 13.43 C ATOM 173 CG LYS A 11 -6.417 -11.998 2.934 1.00 16.69 C ATOM 174 CD LYS A 11 -7.277 -11.911 1.622 1.00 17.92 C ATOM 175 CE LYS A 11 -6.675 -12.847 0.538 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.630 -12.960 -0.579 1.00 21.93 N ATOM 0 H LYS A 11 -7.795 -10.033 6.356 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.091 -12.324 5.787 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.086 -11.812 4.311 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.363 -10.279 3.864 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.449 -11.525 2.767 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.224 -13.044 3.174 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.308 -12.197 1.832 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.299 -10.884 1.258 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.724 -12.449 0.182 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.471 -13.831 0.961 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.222 -13.558 -1.326 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.514 -13.388 -0.238 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.829 -12.014 -0.963 1.00 21.93 H new ATOM 190 N THR A 12 -3.968 -11.259 4.898 1.00 9.63 N ATOM 191 CA THR A 12 -2.657 -10.752 4.667 1.00 9.85 C ATOM 192 C THR A 12 -2.347 -11.078 3.252 1.00 11.66 C ATOM 193 O THR A 12 -2.515 -12.228 2.879 1.00 12.33 O ATOM 194 CB THR A 12 -1.594 -11.475 5.482 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.836 -11.367 6.930 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.263 -10.754 5.356 1.00 9.63 C ATOM 0 H THR A 12 -4.067 -12.245 4.658 1.00 9.63 H new ATOM 0 HA THR A 12 -2.644 -9.693 4.924 1.00 9.85 H new ATOM 0 HB THR A 12 -1.608 -12.501 5.115 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.605 -12.215 7.364 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.492 -11.278 5.942 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.041 -10.732 4.310 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.365 -9.734 5.726 1.00 9.63 H new ATOM 204 N ILE A 13 -1.954 -10.105 2.449 1.00 10.42 N ATOM 205 CA ILE A 13 -1.517 -10.304 1.116 1.00 11.84 C ATOM 206 C ILE A 13 -0.057 -9.901 0.865 1.00 10.55 C ATOM 207 O ILE A 13 0.489 -8.847 1.202 1.00 11.92 O ATOM 208 CB ILE A 13 -2.382 -9.590 0.093 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.369 -8.015 0.189 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.859 -10.097 0.256 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.275 -7.313 -0.827 1.00 16.46 C ATOM 0 H ILE A 13 -1.937 -9.126 2.736 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.607 -11.383 0.988 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.960 -9.828 -0.883 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.674 -7.722 1.193 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.347 -7.663 0.051 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.498 -9.596 -0.471 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.895 -11.174 0.089 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.211 -9.874 1.263 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.206 -6.234 -0.691 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.959 -7.573 -1.837 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.306 -7.632 -0.677 1.00 16.46 H new ATOM 223 N THR A 14 0.661 -10.858 0.243 1.00 9.39 N ATOM 224 CA THR A 14 2.089 -10.737 -0.002 1.00 9.63 C ATOM 225 C THR A 14 2.260 -10.079 -1.313 1.00 11.20 C ATOM 226 O THR A 14 1.521 -10.443 -2.240 1.00 11.63 O ATOM 227 CB THR A 14 2.921 -12.128 -0.057 1.00 10.38 C ATOM 228 OG1 THR A 14 2.744 -12.985 1.101 1.00 16.30 O ATOM 229 CG2 THR A 14 4.398 -11.868 -0.204 1.00 11.66 C ATOM 0 H THR A 14 0.256 -11.730 -0.098 1.00 9.39 H new ATOM 0 HA THR A 14 2.487 -10.179 0.846 1.00 9.63 H new ATOM 0 HB THR A 14 2.513 -12.647 -0.924 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.276 -13.800 0.989 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.933 -12.817 -0.238 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.580 -11.315 -1.126 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.751 -11.283 0.646 1.00 11.66 H new ATOM 237 N LEU A 15 3.279 -9.155 -1.476 1.00 8.29 N ATOM 238 CA LEU A 15 3.448 -8.415 -2.741 1.00 9.03 C ATOM 239 C LEU A 15 4.891 -8.542 -3.183 1.00 8.59 C ATOM 240 O LEU A 15 5.881 -8.818 -2.447 1.00 7.79 O ATOM 241 CB LEU A 15 3.024 -6.910 -2.675 1.00 11.08 C ATOM 242 CG LEU A 15 1.637 -6.601 -2.076 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.478 -5.105 -2.012 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.442 -7.208 -2.832 1.00 15.27 C ATOM 0 H LEU A 15 3.965 -8.926 -0.756 1.00 8.29 H new ATOM 0 HA LEU A 15 2.770 -8.864 -3.467 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.772 -6.372 -2.093 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.055 -6.504 -3.686 1.00 11.08 H new ATOM 0 HG LEU A 15 1.617 -7.070 -1.092 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.503 -4.860 -1.591 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.261 -4.682 -1.383 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.555 -4.688 -3.016 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.485 -6.931 -2.330 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.428 -6.829 -3.854 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.536 -8.294 -2.849 1.00 15.27 H new ATOM 256 N GLU A 16 5.075 -8.416 -4.514 1.00 11.04 N ATOM 257 CA GLU A 16 6.384 -8.291 -5.118 1.00 11.50 C ATOM 258 C GLU A 16 6.414 -6.993 -5.929 1.00 10.13 C ATOM 259 O GLU A 16 5.676 -6.789 -6.822 1.00 9.83 O ATOM 260 CB GLU A 16 6.613 -9.517 -6.017 1.00 17.22 C ATOM 261 CG GLU A 16 8.070 -9.762 -6.543 1.00 23.33 C ATOM 262 CD GLU A 16 9.176 -10.010 -5.508 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.996 -10.838 -4.566 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.171 -9.242 -5.531 1.00 28.86 O ATOM 0 H GLU A 16 4.308 -8.400 -5.186 1.00 11.04 H new ATOM 0 HA GLU A 16 7.175 -8.252 -4.369 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.300 -10.403 -5.465 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.953 -9.430 -6.880 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.043 -10.620 -7.215 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.359 -8.898 -7.141 1.00 23.33 H new ATOM 271 N VAL A 17 7.352 -6.127 -5.538 1.00 8.99 N ATOM 272 CA VAL A 17 7.424 -4.746 -5.861 1.00 8.85 C ATOM 273 C VAL A 17 8.838 -4.302 -5.920 1.00 8.04 C ATOM 274 O VAL A 17 9.762 -5.010 -5.493 1.00 8.99 O ATOM 275 CB VAL A 17 6.727 -3.874 -4.779 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.181 -4.086 -4.823 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.371 -4.265 -3.391 1.00 10.54 C ATOM 0 H VAL A 17 8.128 -6.420 -4.944 1.00 8.99 H new ATOM 0 HA VAL A 17 6.929 -4.624 -6.824 1.00 8.85 H new ATOM 0 HB VAL A 17 6.878 -2.809 -4.954 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.707 -3.469 -4.060 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.803 -3.803 -5.805 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.952 -5.135 -4.635 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.911 -3.676 -2.598 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.205 -5.325 -3.199 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.442 -4.064 -3.417 1.00 10.54 H new ATOM 287 N GLU A 18 9.077 -3.224 -6.618 1.00 7.29 N ATOM 288 CA GLU A 18 10.446 -2.731 -6.795 1.00 7.08 C ATOM 289 C GLU A 18 10.543 -1.455 -5.962 1.00 6.45 C ATOM 290 O GLU A 18 9.534 -0.775 -5.922 1.00 5.28 O ATOM 291 CB GLU A 18 10.894 -2.523 -8.185 1.00 10.28 C ATOM 292 CG GLU A 18 10.652 -3.686 -9.140 1.00 12.65 C ATOM 293 CD GLU A 18 11.398 -5.005 -8.775 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.529 -5.008 -8.315 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.719 -6.075 -8.920 1.00 18.17 O ATOM 0 H GLU A 18 8.358 -2.664 -7.076 1.00 7.29 H new ATOM 0 HA GLU A 18 11.133 -3.508 -6.460 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.390 -1.641 -8.581 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.961 -2.302 -8.174 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.582 -3.890 -9.176 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.953 -3.382 -10.143 1.00 12.65 H new ATOM 302 N PRO A 19 11.616 -1.089 -5.318 1.00 7.24 N ATOM 303 CA PRO A 19 11.664 0.159 -4.573 1.00 7.07 C ATOM 304 C PRO A 19 11.458 1.472 -5.348 1.00 6.65 C ATOM 305 O PRO A 19 11.156 2.502 -4.741 1.00 6.37 O ATOM 306 CB PRO A 19 13.088 0.086 -3.932 1.00 7.61 C ATOM 307 CG PRO A 19 13.883 -0.810 -4.841 1.00 8.16 C ATOM 308 CD PRO A 19 12.856 -1.803 -5.370 1.00 7.49 C ATOM 0 HA PRO A 19 10.820 0.217 -3.886 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.539 1.076 -3.861 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.044 -0.318 -2.920 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.347 -0.247 -5.650 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.685 -1.314 -4.302 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.092 -2.116 -6.387 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.822 -2.705 -4.758 1.00 7.49 H new ATOM 316 N SER A 20 11.617 1.424 -6.683 1.00 6.80 N ATOM 317 CA SER A 20 11.364 2.612 -7.468 1.00 6.28 C ATOM 318 C SER A 20 9.905 2.571 -7.929 1.00 8.45 C ATOM 319 O SER A 20 9.459 3.532 -8.596 1.00 7.26 O ATOM 320 CB SER A 20 12.193 2.515 -8.773 1.00 8.57 C ATOM 321 OG SER A 20 13.626 2.416 -8.543 1.00 11.13 O ATOM 0 H SER A 20 11.909 0.602 -7.211 1.00 6.80 H new ATOM 0 HA SER A 20 11.601 3.500 -6.882 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.863 1.645 -9.340 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.991 3.392 -9.388 1.00 8.57 H new ATOM 0 HG SER A 20 14.092 2.356 -9.403 1.00 11.13 H new ATOM 327 N ASP A 21 9.037 1.555 -7.535 1.00 7.50 N ATOM 328 CA ASP A 21 7.575 1.591 -7.681 1.00 7.70 C ATOM 329 C ASP A 21 6.958 2.626 -6.858 1.00 7.08 C ATOM 330 O ASP A 21 7.327 2.817 -5.706 1.00 8.11 O ATOM 331 CB ASP A 21 6.924 0.199 -7.557 1.00 11.00 C ATOM 332 CG ASP A 21 7.224 -0.764 -8.683 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.257 -0.223 -9.846 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.343 -1.998 -8.476 1.00 14.36 O ATOM 0 H ASP A 21 9.370 0.692 -7.106 1.00 7.50 H new ATOM 0 HA ASP A 21 7.368 1.892 -8.708 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.250 -0.253 -6.620 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.844 0.327 -7.491 1.00 11.00 H new ATOM 339 N THR A 22 5.907 3.337 -7.427 1.00 5.37 N ATOM 340 CA THR A 22 5.143 4.234 -6.612 1.00 6.01 C ATOM 341 C THR A 22 4.174 3.509 -5.752 1.00 8.01 C ATOM 342 O THR A 22 3.835 2.359 -5.984 1.00 8.11 O ATOM 343 CB THR A 22 4.431 5.346 -7.391 1.00 8.92 C ATOM 344 OG1 THR A 22 3.616 4.798 -8.401 1.00 10.22 O ATOM 345 CG2 THR A 22 5.466 6.271 -8.067 1.00 9.65 C ATOM 0 H THR A 22 5.619 3.278 -8.404 1.00 5.37 H new ATOM 0 HA THR A 22 5.883 4.727 -5.981 1.00 6.01 H new ATOM 0 HB THR A 22 3.823 5.910 -6.684 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.425 5.483 -9.075 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.948 7.056 -8.617 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.104 6.721 -7.306 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.079 5.689 -8.756 1.00 9.65 H new ATOM 353 N ILE A 23 3.638 4.225 -4.738 1.00 8.32 N ATOM 354 CA ILE A 23 2.518 3.810 -3.917 1.00 9.92 C ATOM 355 C ILE A 23 1.307 3.651 -4.839 1.00 10.01 C ATOM 356 O ILE A 23 0.624 2.607 -4.690 1.00 8.71 O ATOM 357 CB ILE A 23 2.144 4.831 -2.785 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.379 5.362 -2.010 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.053 4.300 -1.812 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.139 4.304 -1.193 1.00 12.30 C ATOM 0 H ILE A 23 4.000 5.141 -4.473 1.00 8.32 H new ATOM 0 HA ILE A 23 2.804 2.884 -3.419 1.00 9.92 H new ATOM 0 HB ILE A 23 1.709 5.680 -3.313 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.069 5.814 -2.722 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.053 6.154 -1.336 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.842 5.055 -1.055 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.143 4.082 -2.370 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.409 3.390 -1.328 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.984 4.772 -0.688 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.470 3.867 -0.451 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.502 3.522 -1.859 1.00 12.30 H new ATOM 372 N GLU A 24 1.083 4.541 -5.870 1.00 9.54 N ATOM 373 CA GLU A 24 -0.097 4.331 -6.715 1.00 11.81 C ATOM 374 C GLU A 24 0.005 3.094 -7.605 1.00 11.14 C ATOM 375 O GLU A 24 -0.992 2.376 -7.852 1.00 10.62 O ATOM 376 CB GLU A 24 -0.468 5.617 -7.562 1.00 19.24 C ATOM 377 CG GLU A 24 0.437 6.022 -8.774 1.00 27.76 C ATOM 378 CD GLU A 24 -0.207 7.208 -9.520 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.433 7.421 -9.424 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.530 7.689 -10.365 1.00 36.51 O ATOM 0 H GLU A 24 1.668 5.343 -6.105 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.916 4.145 -6.020 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.481 5.479 -7.941 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.496 6.464 -6.877 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.432 6.296 -8.424 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.559 5.176 -9.450 1.00 27.76 H new ATOM 387 N ASN A 25 1.240 2.691 -7.954 1.00 9.43 N ATOM 388 CA ASN A 25 1.650 1.433 -8.611 1.00 10.96 C ATOM 389 C ASN A 25 1.368 0.223 -7.650 1.00 9.68 C ATOM 390 O ASN A 25 0.806 -0.768 -8.032 1.00 9.33 O ATOM 391 CB ASN A 25 3.131 1.576 -8.976 1.00 16.78 C ATOM 392 CG ASN A 25 3.384 0.665 -10.149 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.728 -0.510 -9.950 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.159 1.172 -11.350 1.00 24.70 N ATOM 0 H ASN A 25 2.047 3.287 -7.769 1.00 9.43 H new ATOM 0 HA ASN A 25 1.083 1.239 -9.521 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.367 2.609 -9.232 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.765 1.303 -8.132 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.266 0.587 -12.179 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.878 2.148 -11.447 1.00 24.70 H new ATOM 401 N VAL A 26 1.610 0.340 -6.342 1.00 6.52 N ATOM 402 CA VAL A 26 1.282 -0.656 -5.347 1.00 5.53 C ATOM 403 C VAL A 26 -0.217 -0.766 -5.176 1.00 4.42 C ATOM 404 O VAL A 26 -0.802 -1.840 -5.016 1.00 3.40 O ATOM 405 CB VAL A 26 1.828 -0.269 -3.992 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.281 -1.158 -2.780 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.402 -0.365 -4.005 1.00 8.12 C ATOM 0 H VAL A 26 2.057 1.166 -5.943 1.00 6.52 H new ATOM 0 HA VAL A 26 1.715 -1.595 -5.693 1.00 5.53 H new ATOM 0 HB VAL A 26 1.483 0.751 -3.820 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.724 -0.812 -1.846 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.196 -1.067 -2.723 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.550 -2.202 -2.944 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.792 -0.085 -3.026 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.702 -1.387 -4.237 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.801 0.311 -4.761 1.00 8.12 H new ATOM 417 N LYS A 27 -1.010 0.369 -5.197 1.00 2.64 N ATOM 418 CA LYS A 27 -2.383 0.281 -5.093 1.00 4.14 C ATOM 419 C LYS A 27 -3.095 -0.417 -6.288 1.00 5.58 C ATOM 420 O LYS A 27 -4.167 -0.994 -6.141 1.00 4.11 O ATOM 421 CB LYS A 27 -2.953 1.681 -4.992 1.00 3.97 C ATOM 422 CG LYS A 27 -2.593 2.452 -3.689 1.00 7.45 C ATOM 423 CD LYS A 27 -3.059 3.825 -3.963 1.00 9.02 C ATOM 424 CE LYS A 27 -3.112 4.686 -2.713 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.657 6.098 -2.940 1.00 15.47 N ATOM 0 H LYS A 27 -0.650 1.319 -5.288 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.566 -0.332 -4.211 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.603 2.261 -5.846 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.038 1.620 -5.071 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.091 2.025 -2.819 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.522 2.424 -3.489 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.396 4.291 -4.692 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.051 3.785 -4.414 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.731 4.186 -1.968 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.108 4.760 -2.295 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.209 6.755 -2.270 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.446 6.399 -3.913 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.686 6.101 -2.792 1.00 15.47 H new ATOM 439 N ALA A 28 -2.555 -0.382 -7.523 1.00 6.61 N ATOM 440 CA ALA A 28 -2.960 -1.031 -8.800 1.00 7.74 C ATOM 441 C ALA A 28 -2.750 -2.546 -8.682 1.00 9.17 C ATOM 442 O ALA A 28 -3.543 -3.393 -9.123 1.00 11.45 O ATOM 443 CB ALA A 28 -2.057 -0.385 -9.819 1.00 7.68 C ATOM 0 H ALA A 28 -1.713 0.174 -7.674 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.009 -0.903 -9.069 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.272 -0.794 -10.806 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.228 0.691 -9.827 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.017 -0.585 -9.562 1.00 7.68 H new ATOM 449 N LYS A 29 -1.720 -2.902 -7.886 1.00 8.96 N ATOM 450 CA LYS A 29 -1.357 -4.259 -7.413 1.00 7.90 C ATOM 451 C LYS A 29 -2.265 -4.879 -6.417 1.00 6.92 C ATOM 452 O LYS A 29 -2.660 -6.044 -6.502 1.00 6.87 O ATOM 453 CB LYS A 29 0.119 -4.208 -6.964 1.00 10.28 C ATOM 454 CG LYS A 29 0.725 -5.581 -6.683 1.00 14.94 C ATOM 455 CD LYS A 29 2.243 -5.612 -6.892 1.00 19.69 C ATOM 456 CE LYS A 29 2.628 -5.688 -8.372 1.00 22.63 C ATOM 457 NZ LYS A 29 4.027 -5.273 -8.498 1.00 24.98 N ATOM 0 H LYS A 29 -1.072 -2.199 -7.530 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.486 -4.948 -8.248 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.707 -3.713 -7.737 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.195 -3.597 -6.065 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.498 -5.871 -5.657 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.258 -6.320 -7.334 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.686 -4.720 -6.450 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.662 -6.470 -6.366 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.496 -6.702 -8.748 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.984 -5.041 -8.967 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.323 -5.348 -9.492 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.127 -4.288 -8.181 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.626 -5.888 -7.911 1.00 24.98 H new ATOM 471 N ILE A 30 -2.721 -4.112 -5.392 1.00 4.57 N ATOM 472 CA ILE A 30 -3.780 -4.547 -4.425 1.00 5.58 C ATOM 473 C ILE A 30 -5.101 -4.568 -5.134 1.00 7.26 C ATOM 474 O ILE A 30 -5.953 -5.468 -4.882 1.00 9.46 O ATOM 475 CB ILE A 30 -3.915 -3.579 -3.231 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.536 -3.497 -2.560 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.017 -4.087 -2.307 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.419 -2.469 -1.482 1.00 2.00 C ATOM 0 H ILE A 30 -2.368 -3.173 -5.207 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.495 -5.530 -4.050 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.207 -2.572 -3.530 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.295 -4.473 -2.138 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.788 -3.287 -3.325 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.121 -3.410 -1.459 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.959 -4.131 -2.854 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.759 -5.083 -1.947 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.410 -2.487 -1.070 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.623 -1.482 -1.897 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.138 -2.687 -0.692 1.00 2.00 H new ATOM 490 N GLN A 31 -5.332 -3.628 -6.110 1.00 7.06 N ATOM 491 CA GLN A 31 -6.539 -3.631 -6.892 1.00 8.67 C ATOM 492 C GLN A 31 -6.600 -4.888 -7.741 1.00 10.90 C ATOM 493 O GLN A 31 -7.627 -5.575 -7.814 1.00 9.63 O ATOM 494 CB GLN A 31 -6.591 -2.310 -7.743 1.00 9.12 C ATOM 495 CG GLN A 31 -7.792 -2.271 -8.725 1.00 10.76 C ATOM 496 CD GLN A 31 -7.691 -1.085 -9.685 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.590 -0.627 -10.013 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.805 -0.661 -10.268 1.00 14.76 N ATOM 0 H GLN A 31 -4.680 -2.879 -6.344 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.421 -3.647 -6.251 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.649 -1.453 -7.072 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.664 -2.210 -8.307 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.828 -3.200 -9.295 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.723 -2.206 -8.161 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.706 -1.048 -9.988 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.760 0.051 -10.997 1.00 14.76 H new ATOM 507 N ASP A 32 -5.491 -5.250 -8.372 1.00 10.93 N ATOM 508 CA ASP A 32 -5.376 -6.509 -9.132 1.00 14.01 C ATOM 509 C ASP A 32 -5.743 -7.770 -8.278 1.00 14.04 C ATOM 510 O ASP A 32 -6.443 -8.669 -8.760 1.00 13.39 O ATOM 511 CB ASP A 32 -3.935 -6.803 -9.667 1.00 18.01 C ATOM 512 CG ASP A 32 -3.878 -7.971 -10.634 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.631 -7.990 -11.669 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.068 -8.891 -10.338 1.00 26.29 O ATOM 0 H ASP A 32 -4.641 -4.687 -8.378 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.073 -6.349 -9.955 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.551 -5.912 -10.163 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.277 -7.007 -8.823 1.00 18.01 H new ATOM 519 N LYS A 33 -5.305 -7.788 -7.043 1.00 14.22 N ATOM 520 CA LYS A 33 -5.464 -8.901 -6.142 1.00 14.00 C ATOM 521 C LYS A 33 -6.804 -8.974 -5.499 1.00 12.37 C ATOM 522 O LYS A 33 -7.438 -10.005 -5.501 1.00 12.17 O ATOM 523 CB LYS A 33 -4.380 -8.961 -4.975 1.00 18.62 C ATOM 524 CG LYS A 33 -3.038 -9.278 -5.595 1.00 24.00 C ATOM 525 CD LYS A 33 -1.911 -9.422 -4.509 1.00 27.61 C ATOM 526 CE LYS A 33 -0.520 -9.806 -5.092 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.460 -11.192 -5.516 1.00 30.06 N ATOM 0 H LYS A 33 -4.811 -7.000 -6.624 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.328 -9.751 -6.810 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.339 -8.010 -4.445 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.650 -9.722 -4.243 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.112 -10.203 -6.167 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.767 -8.490 -6.297 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.820 -8.481 -3.967 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.212 -10.179 -3.785 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.294 -9.160 -5.940 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.248 -9.626 -4.340 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.486 -11.398 -5.896 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.649 -11.812 -4.703 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.174 -11.361 -6.253 1.00 30.06 H new ATOM 541 N GLU A 34 -7.295 -7.896 -5.010 1.00 10.11 N ATOM 542 CA GLU A 34 -8.408 -7.843 -4.079 1.00 10.07 C ATOM 543 C GLU A 34 -9.563 -7.012 -4.539 1.00 9.32 C ATOM 544 O GLU A 34 -10.534 -6.809 -3.822 1.00 11.61 O ATOM 545 CB GLU A 34 -7.930 -7.297 -2.692 1.00 14.77 C ATOM 546 CG GLU A 34 -6.957 -8.284 -2.013 1.00 18.75 C ATOM 547 CD GLU A 34 -7.651 -9.341 -1.213 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.475 -8.980 -0.329 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.428 -10.563 -1.511 1.00 25.19 O ATOM 0 H GLU A 34 -6.930 -6.973 -5.246 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.763 -8.871 -4.005 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.440 -6.333 -2.826 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.792 -7.129 -2.047 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.342 -8.761 -2.776 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.283 -7.729 -1.361 1.00 18.75 H new ATOM 556 N GLY A 35 -9.492 -6.422 -5.803 1.00 7.22 N ATOM 557 CA GLY A 35 -10.659 -5.718 -6.339 1.00 6.29 C ATOM 558 C GLY A 35 -10.970 -4.250 -5.881 1.00 6.93 C ATOM 559 O GLY A 35 -12.048 -3.735 -6.075 1.00 7.41 O ATOM 0 H GLY A 35 -8.673 -6.436 -6.410 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.559 -5.704 -7.424 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.536 -6.322 -6.108 1.00 6.29 H new ATOM 563 N ILE A 36 -10.013 -3.592 -5.215 1.00 5.86 N ATOM 564 CA ILE A 36 -10.157 -2.395 -4.435 1.00 6.07 C ATOM 565 C ILE A 36 -9.608 -1.183 -5.267 1.00 6.36 C ATOM 566 O ILE A 36 -8.416 -1.157 -5.469 1.00 6.18 O ATOM 567 CB ILE A 36 -9.548 -2.359 -3.012 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.883 -3.606 -2.075 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.922 -1.109 -2.270 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.998 -3.849 -0.877 1.00 9.49 C ATOM 0 H ILE A 36 -9.048 -3.924 -5.220 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.228 -2.347 -4.239 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.478 -2.394 -3.216 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.906 -3.489 -1.717 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.862 -4.503 -2.693 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.473 -1.127 -1.277 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.559 -0.239 -2.817 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.006 -1.052 -2.177 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.349 -4.729 -0.338 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.973 -4.012 -1.209 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.032 -2.982 -0.217 1.00 9.49 H new ATOM 582 N PRO A 37 -10.379 -0.131 -5.683 1.00 8.65 N ATOM 583 CA PRO A 37 -9.883 1.014 -6.428 1.00 9.18 C ATOM 584 C PRO A 37 -8.799 1.798 -5.686 1.00 9.85 C ATOM 585 O PRO A 37 -8.942 2.034 -4.478 1.00 8.51 O ATOM 586 CB PRO A 37 -11.098 1.900 -6.544 1.00 11.42 C ATOM 587 CG PRO A 37 -12.252 0.943 -6.472 1.00 9.27 C ATOM 588 CD PRO A 37 -11.812 -0.233 -5.681 1.00 8.33 C ATOM 0 HA PRO A 37 -9.435 0.695 -7.369 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.136 2.633 -5.738 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.098 2.456 -7.481 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.114 1.418 -6.004 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.559 0.638 -7.472 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.213 -0.207 -4.668 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.147 -1.167 -6.132 1.00 8.33 H new ATOM 596 N PRO A 38 -7.713 2.246 -6.307 1.00 8.71 N ATOM 597 CA PRO A 38 -6.774 3.212 -5.702 1.00 9.08 C ATOM 598 C PRO A 38 -7.308 4.420 -4.871 1.00 9.28 C ATOM 599 O PRO A 38 -6.594 4.860 -3.969 1.00 6.50 O ATOM 600 CB PRO A 38 -5.941 3.655 -6.909 1.00 10.31 C ATOM 601 CG PRO A 38 -5.870 2.379 -7.770 1.00 10.81 C ATOM 602 CD PRO A 38 -7.215 1.765 -7.658 1.00 12.00 C ATOM 0 HA PRO A 38 -6.244 2.713 -4.891 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.414 4.478 -7.445 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.950 3.997 -6.611 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.629 2.615 -8.806 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.096 1.702 -7.409 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.872 2.087 -8.466 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.165 0.677 -7.703 1.00 12.00 H new ATOM 610 N ASP A 39 -8.469 4.939 -5.197 1.00 11.20 N ATOM 611 CA ASP A 39 -8.954 6.027 -4.416 1.00 14.96 C ATOM 612 C ASP A 39 -9.314 5.591 -2.905 1.00 13.99 C ATOM 613 O ASP A 39 -8.957 6.279 -1.926 1.00 13.75 O ATOM 614 CB ASP A 39 -10.279 6.660 -4.934 1.00 24.16 C ATOM 615 CG ASP A 39 -9.956 7.446 -6.202 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.500 6.809 -7.165 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.170 8.686 -6.285 1.00 35.55 O ATOM 0 H ASP A 39 -9.066 4.635 -5.966 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.127 6.734 -4.479 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.017 5.885 -5.142 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.710 7.316 -4.178 1.00 24.16 H new ATOM 622 N GLN A 40 -10.033 4.414 -2.813 1.00 11.60 N ATOM 623 CA GLN A 40 -10.510 3.824 -1.568 1.00 10.76 C ATOM 624 C GLN A 40 -9.385 3.407 -0.554 1.00 8.01 C ATOM 625 O GLN A 40 -9.549 3.417 0.662 1.00 8.96 O ATOM 626 CB GLN A 40 -11.353 2.543 -1.787 1.00 11.14 C ATOM 627 CG GLN A 40 -12.703 2.814 -2.382 1.00 14.85 C ATOM 628 CD GLN A 40 -13.475 1.511 -2.496 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.168 0.488 -1.876 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.562 1.508 -3.305 1.00 18.16 N ATOM 0 H GLN A 40 -10.285 3.864 -3.634 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.102 4.640 -1.153 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.806 1.864 -2.441 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.480 2.033 -0.832 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.251 3.521 -1.760 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.594 3.272 -3.365 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.818 2.351 -3.818 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.124 0.662 -3.401 1.00 18.16 H new ATOM 639 N GLN A 41 -8.189 3.112 -1.082 1.00 6.52 N ATOM 640 CA GLN A 41 -7.076 2.618 -0.325 1.00 3.87 C ATOM 641 C GLN A 41 -6.282 3.656 0.470 1.00 4.79 C ATOM 642 O GLN A 41 -5.735 4.568 -0.069 1.00 6.34 O ATOM 643 CB GLN A 41 -6.089 1.874 -1.289 1.00 4.20 C ATOM 644 CG GLN A 41 -6.755 0.651 -1.992 1.00 3.20 C ATOM 645 CD GLN A 41 -5.726 0.112 -3.001 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.666 -0.313 -2.611 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.059 0.197 -4.325 1.00 7.13 N ATOM 0 H GLN A 41 -7.984 3.220 -2.075 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.522 1.961 0.422 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.728 2.572 -2.044 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.219 1.537 -0.725 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.023 -0.115 -1.265 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.675 0.947 -2.497 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.970 0.565 -4.599 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.396 -0.107 -5.038 1.00 7.13 H new ATOM 656 N ARG A 42 -6.109 3.420 1.753 1.00 5.73 N ATOM 657 CA ARG A 42 -5.190 4.246 2.507 1.00 6.97 C ATOM 658 C ARG A 42 -4.040 3.389 3.118 1.00 7.15 C ATOM 659 O ARG A 42 -4.263 2.408 3.860 1.00 7.33 O ATOM 660 CB ARG A 42 -6.006 5.008 3.555 1.00 13.23 C ATOM 661 CG ARG A 42 -5.125 5.691 4.533 1.00 21.27 C ATOM 662 CD ARG A 42 -5.826 6.591 5.566 1.00 26.14 C ATOM 663 NE ARG A 42 -6.414 7.742 4.836 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.020 8.803 5.408 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.114 8.958 6.717 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.551 9.778 4.665 1.00 36.39 N ATOM 0 H ARG A 42 -6.577 2.685 2.284 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.691 4.969 1.862 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.642 5.742 3.060 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.666 4.316 4.078 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.556 4.932 5.070 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.406 6.298 3.982 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.602 6.036 6.093 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.115 6.937 6.317 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.355 7.730 3.818 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.718 8.257 7.343 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.582 9.779 7.101 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.502 9.728 3.647 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.005 10.573 5.115 1.00 36.39 H new ATOM 680 N LEU A 43 -2.780 3.600 2.691 1.00 4.65 N ATOM 681 CA LEU A 43 -1.718 2.712 3.066 1.00 3.51 C ATOM 682 C LEU A 43 -0.928 3.311 4.174 1.00 5.56 C ATOM 683 O LEU A 43 -0.556 4.510 4.125 1.00 4.19 O ATOM 684 CB LEU A 43 -0.776 2.363 1.876 1.00 3.74 C ATOM 685 CG LEU A 43 -1.295 1.255 1.003 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.506 1.152 -0.228 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.358 -0.069 1.806 1.00 6.41 C ATOM 0 H LEU A 43 -2.497 4.376 2.093 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.180 1.781 3.393 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.628 3.255 1.267 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.201 2.079 2.268 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.314 1.482 0.690 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.899 0.344 -0.845 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.566 2.091 -0.778 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.534 0.944 0.023 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.735 -0.866 1.165 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.360 -0.329 2.158 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.023 0.055 2.660 1.00 6.41 H new ATOM 699 N ILE A 44 -0.614 2.431 5.186 1.00 4.58 N ATOM 700 CA ILE A 44 -0.304 2.809 6.592 1.00 5.55 C ATOM 701 C ILE A 44 1.020 2.167 6.975 1.00 5.46 C ATOM 702 O ILE A 44 1.127 0.942 6.938 1.00 6.04 O ATOM 703 CB ILE A 44 -1.407 2.434 7.573 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.689 3.303 7.351 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.918 2.642 9.049 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.581 4.800 7.731 1.00 13.90 C ATOM 0 H ILE A 44 -0.572 1.424 5.032 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.231 3.895 6.649 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.650 1.386 7.399 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.969 3.237 6.300 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.504 2.863 7.926 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.717 2.370 9.739 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.047 2.013 9.236 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.649 3.688 9.199 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.531 5.295 7.532 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.339 4.890 8.790 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.796 5.270 7.139 1.00 13.90 H new ATOM 718 N PHE A 45 2.045 2.944 7.314 1.00 6.75 N ATOM 719 CA PHE A 45 3.294 2.467 7.867 1.00 4.70 C ATOM 720 C PHE A 45 3.761 3.668 8.679 1.00 6.34 C ATOM 721 O PHE A 45 3.686 4.834 8.313 1.00 5.45 O ATOM 722 CB PHE A 45 4.204 1.981 6.735 1.00 5.51 C ATOM 723 CG PHE A 45 5.698 1.969 7.191 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.270 0.937 7.952 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.460 3.098 6.846 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.612 0.982 8.343 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.799 3.075 7.078 1.00 6.64 C ATOM 728 CZ PHE A 45 8.346 2.051 7.825 1.00 6.84 C ATOM 0 H PHE A 45 2.021 3.958 7.204 1.00 6.75 H new ATOM 0 HA PHE A 45 3.253 1.589 8.512 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.905 0.979 6.427 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.089 2.629 5.866 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.662 0.092 8.241 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.992 3.966 6.406 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.049 0.243 8.998 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.432 3.854 6.680 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.408 2.078 8.021 1.00 6.84 H new ATOM 738 N ALA A 46 4.263 3.310 9.865 1.00 6.53 N ATOM 739 CA ALA A 46 4.749 4.191 10.850 1.00 7.15 C ATOM 740 C ALA A 46 3.803 5.267 11.393 1.00 9.00 C ATOM 741 O ALA A 46 4.154 6.407 11.749 1.00 11.15 O ATOM 742 CB ALA A 46 5.998 4.890 10.260 1.00 8.99 C ATOM 0 H ALA A 46 4.331 2.332 10.148 1.00 6.53 H new ATOM 0 HA ALA A 46 4.935 3.559 11.719 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.407 5.584 10.994 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.750 4.141 10.010 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.718 5.437 9.360 1.00 8.99 H new ATOM 748 N GLY A 47 2.503 4.891 11.323 1.00 9.35 N ATOM 749 CA GLY A 47 1.397 5.696 11.603 1.00 11.68 C ATOM 750 C GLY A 47 0.979 6.570 10.377 1.00 11.14 C ATOM 751 O GLY A 47 0.029 7.337 10.424 1.00 13.93 O ATOM 0 H GLY A 47 2.234 3.947 11.047 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.558 5.067 11.902 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.626 6.345 12.448 1.00 11.68 H new ATOM 755 N LYS A 48 1.725 6.537 9.175 1.00 10.47 N ATOM 756 CA LYS A 48 1.661 7.498 8.085 1.00 8.82 C ATOM 757 C LYS A 48 0.961 7.071 6.821 1.00 7.68 C ATOM 758 O LYS A 48 1.054 5.901 6.442 1.00 6.47 O ATOM 759 CB LYS A 48 3.109 7.944 7.666 1.00 9.74 C ATOM 760 CG LYS A 48 3.880 8.674 8.729 1.00 14.14 C ATOM 761 CD LYS A 48 5.267 9.188 8.266 1.00 16.32 C ATOM 762 CE LYS A 48 6.056 9.994 9.281 1.00 20.04 C ATOM 763 NZ LYS A 48 6.867 9.095 10.156 1.00 23.92 N ATOM 0 H LYS A 48 2.395 5.791 8.987 1.00 10.47 H new ATOM 0 HA LYS A 48 1.056 8.296 8.515 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.674 7.060 7.371 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.036 8.584 6.787 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.288 9.521 9.075 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.017 8.011 9.583 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.869 8.329 7.968 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.125 9.802 7.376 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.712 10.695 8.765 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.374 10.586 9.892 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.399 9.667 10.843 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.236 8.443 10.663 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.532 8.549 9.572 1.00 23.92 H new ATOM 777 N GLN A 49 0.217 7.961 6.188 1.00 8.89 N ATOM 778 CA GLN A 49 -0.647 7.708 5.036 1.00 7.18 C ATOM 779 C GLN A 49 0.076 7.934 3.699 1.00 8.23 C ATOM 780 O GLN A 49 0.112 9.031 3.120 1.00 9.70 O ATOM 781 CB GLN A 49 -1.976 8.421 5.076 1.00 11.67 C ATOM 782 CG GLN A 49 -2.014 9.953 5.189 1.00 15.82 C ATOM 783 CD GLN A 49 -3.481 10.486 5.122 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.098 10.635 6.181 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.964 10.675 3.894 1.00 20.67 N ATOM 0 H GLN A 49 0.195 8.939 6.477 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.889 6.648 5.110 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.520 8.147 4.172 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.537 8.018 5.919 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.554 10.263 6.127 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.426 10.395 4.384 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.366 10.523 3.082 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.932 10.972 3.767 1.00 20.67 H new ATOM 794 N LEU A 50 0.738 6.896 3.127 1.00 6.51 N ATOM 795 CA LEU A 50 1.670 6.972 2.001 1.00 7.41 C ATOM 796 C LEU A 50 1.144 7.593 0.734 1.00 8.27 C ATOM 797 O LEU A 50 0.074 7.277 0.256 1.00 8.34 O ATOM 798 CB LEU A 50 2.529 5.761 1.860 1.00 7.13 C ATOM 799 CG LEU A 50 2.957 4.915 3.081 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.806 3.789 2.557 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.691 5.668 4.167 1.00 9.11 C ATOM 0 H LEU A 50 0.622 5.941 3.465 1.00 6.51 H new ATOM 0 HA LEU A 50 2.377 7.750 2.288 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.013 5.087 1.176 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.445 6.081 1.362 1.00 7.13 H new ATOM 0 HG LEU A 50 2.049 4.566 3.574 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.132 3.163 3.387 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.224 3.189 1.857 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.678 4.198 2.046 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.945 4.983 4.976 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.604 6.100 3.757 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.054 6.464 4.552 1.00 9.11 H new ATOM 813 N GLU A 51 1.885 8.577 0.168 1.00 9.43 N ATOM 814 CA GLU A 51 1.364 9.450 -0.856 1.00 11.90 C ATOM 815 C GLU A 51 1.646 8.866 -2.184 1.00 11.49 C ATOM 816 O GLU A 51 2.763 8.467 -2.504 1.00 9.88 O ATOM 817 CB GLU A 51 2.047 10.865 -0.732 1.00 16.56 C ATOM 818 CG GLU A 51 1.609 11.647 0.475 1.00 26.06 C ATOM 819 CD GLU A 51 2.119 13.086 0.449 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.371 13.311 0.500 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.280 14.033 0.350 1.00 32.13 O ATOM 0 H GLU A 51 2.854 8.769 0.423 1.00 9.43 H new ATOM 0 HA GLU A 51 0.286 9.562 -0.735 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.128 10.734 -0.696 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.826 11.444 -1.628 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.520 11.651 0.527 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.970 11.152 1.377 1.00 26.06 H new ATOM 828 N ASP A 52 0.460 8.782 -2.940 1.00 12.71 N ATOM 829 CA ASP A 52 0.277 8.106 -4.163 1.00 16.56 C ATOM 830 C ASP A 52 1.322 8.377 -5.278 1.00 15.83 C ATOM 831 O ASP A 52 1.657 7.424 -5.974 1.00 17.21 O ATOM 832 CB ASP A 52 -1.143 8.441 -4.708 1.00 21.05 C ATOM 833 CG ASP A 52 -1.446 9.920 -4.634 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.861 10.434 -3.551 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.239 10.713 -5.625 1.00 28.37 O ATOM 0 H ASP A 52 -0.398 9.237 -2.627 1.00 12.71 H new ATOM 0 HA ASP A 52 0.409 7.052 -3.920 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.222 8.107 -5.742 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.890 7.889 -4.137 1.00 21.05 H new ATOM 840 N GLY A 53 1.905 9.606 -5.346 1.00 15.00 N ATOM 841 CA GLY A 53 2.894 9.888 -6.402 1.00 11.77 C ATOM 842 C GLY A 53 4.315 9.743 -5.964 1.00 11.10 C ATOM 843 O GLY A 53 5.184 10.102 -6.696 1.00 11.25 O ATOM 0 H GLY A 53 1.714 10.380 -4.709 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.714 9.217 -7.242 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.740 10.903 -6.767 1.00 11.77 H new ATOM 847 N ARG A 54 4.530 9.250 -4.759 1.00 8.53 N ATOM 848 CA ARG A 54 5.909 8.978 -4.301 1.00 9.05 C ATOM 849 C ARG A 54 6.237 7.495 -4.361 1.00 8.96 C ATOM 850 O ARG A 54 5.338 6.619 -4.550 1.00 11.60 O ATOM 851 CB ARG A 54 5.978 9.429 -2.847 1.00 7.97 C ATOM 852 CG ARG A 54 5.538 10.876 -2.597 1.00 9.62 C ATOM 853 CD ARG A 54 5.907 11.350 -1.261 1.00 12.20 C ATOM 854 NE ARG A 54 5.398 12.750 -1.067 1.00 18.23 N ATOM 855 CZ ARG A 54 5.811 13.829 -1.707 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.735 13.919 -2.631 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.175 14.977 -1.459 1.00 23.38 N ATOM 0 H ARG A 54 3.798 9.029 -4.083 1.00 8.53 H new ATOM 0 HA ARG A 54 6.619 9.502 -4.941 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.355 8.766 -2.247 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.002 9.310 -2.493 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.990 11.525 -3.347 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.458 10.951 -2.720 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.488 10.691 -0.501 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.990 11.326 -1.141 1.00 12.20 H new ATOM 0 HE ARG A 54 4.662 12.880 -0.373 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.234 13.083 -2.937 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.956 14.825 -3.045 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.401 14.998 -0.796 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.464 15.833 -1.933 1.00 23.38 H new ATOM 871 N THR A 55 7.550 7.140 -4.321 1.00 9.05 N ATOM 872 CA THR A 55 7.969 5.721 -4.346 1.00 9.03 C ATOM 873 C THR A 55 8.108 5.106 -2.998 1.00 8.15 C ATOM 874 O THR A 55 8.277 5.752 -1.952 1.00 5.91 O ATOM 875 CB THR A 55 9.183 5.348 -5.178 1.00 11.15 C ATOM 876 OG1 THR A 55 10.358 5.956 -4.614 1.00 11.95 O ATOM 877 CG2 THR A 55 9.022 5.972 -6.578 1.00 11.71 C ATOM 0 H THR A 55 8.320 7.807 -4.272 1.00 9.05 H new ATOM 0 HA THR A 55 7.112 5.300 -4.872 1.00 9.03 H new ATOM 0 HB THR A 55 9.271 4.262 -5.210 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.084 5.298 -4.583 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.885 5.715 -7.192 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.116 5.587 -7.046 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.951 7.056 -6.487 1.00 11.71 H new ATOM 885 N LEU A 56 8.168 3.760 -2.969 1.00 6.91 N ATOM 886 CA LEU A 56 8.663 2.961 -1.840 1.00 8.29 C ATOM 887 C LEU A 56 9.992 3.399 -1.270 1.00 8.05 C ATOM 888 O LEU A 56 10.192 3.568 -0.089 1.00 10.17 O ATOM 889 CB LEU A 56 8.751 1.444 -2.180 1.00 6.60 C ATOM 890 CG LEU A 56 7.401 0.607 -2.232 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.802 -0.845 -2.534 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.616 0.756 -0.940 1.00 8.64 C ATOM 0 H LEU A 56 7.864 3.186 -3.755 1.00 6.91 H new ATOM 0 HA LEU A 56 7.909 3.138 -1.073 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.240 1.348 -3.149 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.405 0.975 -1.445 1.00 6.60 H new ATOM 0 HG LEU A 56 6.729 0.970 -3.010 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.908 -1.467 -2.581 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.324 -0.887 -3.490 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.459 -1.213 -1.746 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.697 0.173 -1.003 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.217 0.396 -0.105 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.369 1.806 -0.783 1.00 8.64 H new ATOM 904 N SER A 57 10.928 3.680 -2.162 1.00 8.92 N ATOM 905 CA SER A 57 12.218 4.262 -1.742 1.00 9.00 C ATOM 906 C SER A 57 12.206 5.627 -1.145 1.00 9.44 C ATOM 907 O SER A 57 13.007 5.956 -0.264 1.00 10.91 O ATOM 908 CB SER A 57 13.276 4.203 -2.857 1.00 10.32 C ATOM 909 OG SER A 57 12.971 4.932 -4.054 1.00 13.59 O ATOM 0 H SER A 57 10.835 3.523 -3.165 1.00 8.92 H new ATOM 0 HA SER A 57 12.482 3.604 -0.914 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.218 4.579 -2.457 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.437 3.158 -3.123 1.00 10.32 H new ATOM 0 HG SER A 57 13.705 4.830 -4.695 1.00 13.59 H new ATOM 915 N ASP A 58 11.240 6.488 -1.521 1.00 9.11 N ATOM 916 CA ASP A 58 11.149 7.783 -0.884 1.00 7.91 C ATOM 917 C ASP A 58 10.537 7.715 0.563 1.00 9.12 C ATOM 918 O ASP A 58 10.624 8.670 1.340 1.00 8.61 O ATOM 919 CB ASP A 58 10.043 8.650 -1.674 1.00 8.41 C ATOM 920 CG ASP A 58 10.494 9.152 -3.009 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.675 9.366 -3.258 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.541 9.477 -3.801 1.00 11.70 O ATOM 0 H ASP A 58 10.540 6.305 -2.240 1.00 9.11 H new ATOM 0 HA ASP A 58 12.162 8.184 -0.874 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.150 8.040 -1.811 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.756 9.501 -1.056 1.00 8.41 H new ATOM 927 N TYR A 59 9.911 6.588 0.898 1.00 7.97 N ATOM 928 CA TYR A 59 9.586 6.250 2.293 1.00 8.45 C ATOM 929 C TYR A 59 10.746 5.392 2.871 1.00 10.98 C ATOM 930 O TYR A 59 10.635 5.028 4.079 1.00 12.95 O ATOM 931 CB TYR A 59 8.259 5.595 2.513 1.00 7.94 C ATOM 932 CG TYR A 59 7.242 6.667 2.234 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.055 7.787 3.034 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.374 6.547 1.136 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.069 8.765 2.710 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.399 7.463 0.767 1.00 6.52 C ATOM 937 CZ TYR A 59 5.261 8.591 1.589 1.00 6.76 C ATOM 938 OH TYR A 59 4.429 9.647 1.393 1.00 7.63 O ATOM 0 H TYR A 59 9.615 5.885 0.221 1.00 7.97 H new ATOM 0 HA TYR A 59 9.486 7.195 2.826 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.125 4.742 1.848 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.168 5.221 3.533 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.666 7.919 3.915 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.474 5.663 0.524 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.949 9.639 3.333 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.780 7.315 -0.106 1.00 6.52 H new ATOM 0 HH TYR A 59 4.852 10.464 1.732 1.00 7.63 H new ATOM 948 N ASN A 60 11.752 5.007 2.076 1.00 12.38 N ATOM 949 CA ASN A 60 12.853 4.140 2.489 1.00 13.94 C ATOM 950 C ASN A 60 12.394 2.796 3.092 1.00 14.16 C ATOM 951 O ASN A 60 12.919 2.380 4.146 1.00 14.26 O ATOM 952 CB ASN A 60 13.964 4.832 3.314 1.00 19.23 C ATOM 953 CG ASN A 60 14.541 6.071 2.647 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.328 7.254 2.994 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.471 5.756 1.680 1.00 24.09 N ATOM 0 H ASN A 60 11.821 5.300 1.101 1.00 12.38 H new ATOM 0 HA ASN A 60 13.342 3.891 1.547 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.561 5.109 4.288 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.769 4.119 3.493 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.007 6.497 1.227 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.624 4.782 1.417 1.00 24.09 H new ATOM 962 N ILE A 61 11.512 2.062 2.346 1.00 11.08 N ATOM 963 CA ILE A 61 10.999 0.734 2.750 1.00 11.78 C ATOM 964 C ILE A 61 11.867 -0.223 2.003 1.00 13.74 C ATOM 965 O ILE A 61 11.969 -0.224 0.796 1.00 14.60 O ATOM 966 CB ILE A 61 9.524 0.635 2.392 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.608 1.672 3.178 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.053 -0.785 2.783 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.211 1.797 2.604 1.00 11.42 C ATOM 0 H ILE A 61 11.144 2.383 1.451 1.00 11.08 H new ATOM 0 HA ILE A 61 11.043 0.531 3.820 1.00 11.78 H new ATOM 0 HB ILE A 61 9.427 0.853 1.328 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.538 1.365 4.222 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.087 2.651 3.165 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.996 -0.897 2.541 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.632 -1.525 2.231 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.199 -0.935 3.853 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.641 2.520 3.188 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.272 2.133 1.569 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.714 0.828 2.642 1.00 11.42 H new ATOM 981 N GLN A 62 12.418 -1.204 2.720 1.00 13.97 N ATOM 982 CA GLN A 62 13.235 -2.248 2.150 1.00 15.52 C ATOM 983 C GLN A 62 12.701 -3.589 2.495 1.00 13.94 C ATOM 984 O GLN A 62 11.841 -3.721 3.404 1.00 12.15 O ATOM 985 CB GLN A 62 14.632 -2.114 2.724 1.00 19.53 C ATOM 986 CG GLN A 62 15.406 -0.809 2.277 1.00 26.38 C ATOM 987 CD GLN A 62 16.798 -0.727 2.944 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.954 -0.276 4.101 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.789 -0.950 2.131 1.00 32.71 N ATOM 0 H GLN A 62 12.300 -1.286 3.730 1.00 13.97 H new ATOM 0 HA GLN A 62 13.240 -2.149 1.065 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.566 -2.127 3.812 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.216 -2.986 2.430 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.519 -0.804 1.193 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.821 0.072 2.541 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.609 -1.319 1.197 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.745 -0.756 2.428 1.00 32.71 H new ATOM 998 N LYS A 63 13.255 -4.561 1.802 1.00 11.73 N ATOM 999 CA LYS A 63 12.893 -6.003 1.765 1.00 11.97 C ATOM 1000 C LYS A 63 12.396 -6.636 3.066 1.00 10.41 C ATOM 1001 O LYS A 63 13.093 -6.748 4.100 1.00 9.59 O ATOM 1002 CB LYS A 63 14.052 -6.828 1.267 1.00 13.73 C ATOM 1003 CG LYS A 63 13.752 -8.180 0.724 1.00 16.98 C ATOM 1004 CD LYS A 63 14.904 -8.742 -0.090 1.00 20.19 C ATOM 1005 CE LYS A 63 16.136 -9.230 0.711 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.163 -9.840 -0.167 1.00 25.97 N ATOM 0 H LYS A 63 14.045 -4.367 1.186 1.00 11.73 H new ATOM 0 HA LYS A 63 12.039 -6.014 1.088 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.560 -6.258 0.489 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.759 -6.945 2.089 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.527 -8.858 1.547 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.860 -8.129 0.100 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.529 -9.576 -0.683 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.234 -7.975 -0.791 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.573 -8.390 1.251 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.818 -9.958 1.457 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.970 -10.153 0.409 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.754 -10.657 -0.664 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.486 -9.138 -0.863 1.00 25.97 H new ATOM 1020 N GLU A 64 11.122 -7.087 2.951 1.00 10.04 N ATOM 1021 CA GLU A 64 10.371 -7.851 3.959 1.00 10.94 C ATOM 1022 C GLU A 64 9.831 -7.019 5.100 1.00 9.74 C ATOM 1023 O GLU A 64 9.323 -7.483 6.127 1.00 9.42 O ATOM 1024 CB GLU A 64 11.027 -9.165 4.419 1.00 18.31 C ATOM 1025 CG GLU A 64 11.072 -10.316 3.387 1.00 24.16 C ATOM 1026 CD GLU A 64 11.899 -11.438 3.929 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.598 -11.865 5.057 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.947 -11.774 3.270 1.00 32.61 O ATOM 0 H GLU A 64 10.571 -6.916 2.110 1.00 10.04 H new ATOM 0 HA GLU A 64 9.493 -8.178 3.401 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.049 -8.945 4.729 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.496 -9.520 5.302 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.062 -10.665 3.171 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.494 -9.960 2.447 1.00 24.16 H new ATOM 1035 N SER A 65 9.703 -5.704 4.828 1.00 6.85 N ATOM 1036 CA SER A 65 8.854 -4.843 5.659 1.00 6.90 C ATOM 1037 C SER A 65 7.290 -5.090 5.559 1.00 4.72 C ATOM 1038 O SER A 65 6.794 -5.558 4.519 1.00 3.91 O ATOM 1039 CB SER A 65 9.197 -3.396 5.428 1.00 7.28 C ATOM 1040 OG SER A 65 8.676 -2.517 6.413 1.00 10.56 O ATOM 0 H SER A 65 10.168 -5.228 4.055 1.00 6.85 H new ATOM 0 HA SER A 65 9.089 -5.130 6.684 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.281 -3.290 5.398 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.820 -3.095 4.451 1.00 7.28 H new ATOM 0 HG SER A 65 8.938 -1.597 6.202 1.00 10.56 H new ATOM 1046 N THR A 66 6.519 -4.733 6.586 1.00 4.48 N ATOM 1047 CA THR A 66 5.068 -4.977 6.656 1.00 3.80 C ATOM 1048 C THR A 66 4.284 -3.647 6.639 1.00 4.60 C ATOM 1049 O THR A 66 4.639 -2.634 7.234 1.00 5.33 O ATOM 1050 CB THR A 66 4.673 -5.782 7.907 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.106 -7.116 7.793 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.150 -5.758 8.100 1.00 3.40 C ATOM 0 H THR A 66 6.886 -4.257 7.410 1.00 4.48 H new ATOM 0 HA THR A 66 4.810 -5.565 5.775 1.00 3.80 H new ATOM 0 HB THR A 66 5.154 -5.322 8.770 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.848 -7.613 8.597 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.887 -6.332 8.989 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.815 -4.728 8.221 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.666 -6.197 7.228 1.00 3.40 H new ATOM 1060 N LEU A 67 3.160 -3.544 5.887 1.00 4.17 N ATOM 1061 CA LEU A 67 2.305 -2.329 5.853 1.00 3.85 C ATOM 1062 C LEU A 67 0.958 -2.664 6.304 1.00 3.80 C ATOM 1063 O LEU A 67 0.622 -3.847 6.403 1.00 5.54 O ATOM 1064 CB LEU A 67 2.158 -1.818 4.416 1.00 7.18 C ATOM 1065 CG LEU A 67 3.553 -1.699 3.604 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.184 -1.216 2.227 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.436 -0.626 4.275 1.00 11.66 C ATOM 0 H LEU A 67 2.821 -4.297 5.289 1.00 4.17 H new ATOM 0 HA LEU A 67 2.772 -1.578 6.491 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.491 -2.486 3.872 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.680 -0.839 4.438 1.00 7.18 H new ATOM 0 HG LEU A 67 4.091 -2.647 3.582 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.086 -1.114 1.624 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.513 -1.935 1.757 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.686 -0.249 2.302 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.378 -0.540 3.734 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.919 0.333 4.258 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.636 -0.913 5.307 1.00 11.66 H new ATOM 1079 N HIS A 68 0.088 -1.688 6.538 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.342 -1.955 6.745 1.00 4.17 C ATOM 1081 C HIS A 68 -2.064 -1.241 5.626 1.00 5.32 C ATOM 1082 O HIS A 68 -1.732 -0.134 5.246 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.805 -1.436 8.097 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.513 -2.510 9.132 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.445 -2.865 10.056 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.386 -3.184 9.455 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.863 -3.776 10.868 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.616 -4.010 10.545 1.00 16.30 N ATOM 0 H HIS A 68 0.342 -0.702 6.590 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -3.025 6.737 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.286 -0.511 8.349 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.871 -1.207 8.074 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.558 -3.092 8.938 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.370 -4.257 11.691 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.037 -4.653 10.993 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.151 -1.886 5.073 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.168 -1.179 4.272 1.00 3.97 C ATOM 1098 C LEU A 69 -5.375 -0.903 5.214 1.00 5.07 C ATOM 1099 O LEU A 69 -5.842 -1.772 5.913 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.624 -2.118 3.140 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.754 -1.594 2.169 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.273 -0.417 1.357 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.262 -2.768 1.313 1.00 9.96 C ATOM 0 H LEU A 69 -3.326 -2.885 5.178 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.779 -0.252 3.852 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.751 -2.367 2.537 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.973 -3.046 3.593 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.599 -1.217 2.745 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.073 -0.078 0.698 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.987 0.394 2.026 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.412 -0.715 0.759 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.043 -2.416 0.639 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.437 -3.177 0.730 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.667 -3.544 1.963 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.848 0.399 5.240 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.135 0.720 5.683 1.00 6.26 C ATOM 1117 C VAL A 70 -7.913 1.306 4.481 1.00 9.22 C ATOM 1118 O VAL A 70 -7.319 1.638 3.479 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.041 1.721 6.818 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.560 0.927 8.078 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.093 2.884 6.534 1.00 8.54 C ATOM 0 H VAL A 70 -5.298 1.205 4.942 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.656 -0.160 6.058 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.019 2.179 6.964 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.476 1.607 8.926 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.281 0.143 8.311 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.588 0.478 7.876 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.078 3.558 7.390 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.089 2.500 6.357 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.435 3.425 5.652 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.232 1.389 4.621 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.130 1.833 3.555 1.00 16.06 C ATOM 1133 C LEU A 71 -10.889 3.088 3.912 1.00 18.09 C ATOM 1134 O LEU A 71 -11.569 3.108 4.957 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.181 0.761 3.157 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.563 -0.592 2.622 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.666 -1.486 2.155 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.547 -0.449 1.509 1.00 19.57 C ATOM 0 H LEU A 71 -9.715 1.148 5.486 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.461 2.025 2.716 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.806 0.543 4.023 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.834 1.177 2.389 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.018 -1.012 3.467 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.245 -2.421 1.785 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.341 -1.696 2.985 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.218 -0.995 1.354 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.187 -1.435 1.216 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.013 0.036 0.651 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.709 0.155 1.857 1.00 19.57 H new