USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 62 GLN : amide:sc= 0 K(o=-0.45,f=-1.8!) USER MOD Set 1.2: A 65 SER OG : rot -130:sc= -0.449 USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 1.12 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.3 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.286 K(o=-0.29,f=-0.84) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.33) 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 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -97:sc= 0.195 USER MOD Single : A 59 TYR OH : rot 138:sc= 0.0882 USER MOD Single : A 60 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.303 F(o=-1.3,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.008 -7.723 -2.190 1.00 0.00 N ATOM 2 CA MET A 1 11.468 -8.354 -3.404 1.00 0.00 C ATOM 3 C MET A 1 9.961 -8.153 -3.484 1.00 0.00 C ATOM 4 O MET A 1 9.460 -7.598 -4.459 1.00 0.00 O ATOM 5 CB MET A 1 11.812 -9.842 -3.432 1.00 0.00 C ATOM 6 CG MET A 1 11.378 -10.446 -4.766 1.00 0.00 C ATOM 7 SD MET A 1 11.713 -12.219 -4.908 1.00 0.00 S ATOM 8 CE MET A 1 13.421 -12.137 -5.504 1.00 0.00 C ATOM 0 H1 MET A 1 13.040 -7.628 -2.278 1.00 0.00 H new ATOM 0 H2 MET A 1 11.582 -6.782 -2.069 1.00 0.00 H new ATOM 0 H3 MET A 1 11.784 -8.313 -1.363 1.00 0.00 H new ATOM 0 HA MET A 1 11.925 -7.879 -4.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.884 -9.980 -3.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.314 -10.356 -2.610 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.310 -10.275 -4.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.889 -9.923 -5.574 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.804 -13.147 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.451 -11.596 -6.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.038 -11.619 -4.770 1.00 0.00 H new ATOM 18 N GLN A 2 9.238 -8.596 -2.451 1.00 0.00 N ATOM 19 CA GLN A 2 7.791 -8.482 -2.413 1.00 0.00 C ATOM 20 C GLN A 2 7.365 -7.843 -1.098 1.00 0.00 C ATOM 21 O GLN A 2 8.190 -7.628 -0.213 1.00 0.00 O ATOM 22 CB GLN A 2 7.172 -9.873 -2.546 1.00 0.00 C ATOM 23 CG GLN A 2 7.296 -10.379 -3.981 1.00 0.00 C ATOM 24 CD GLN A 2 6.806 -11.819 -4.089 1.00 0.00 C ATOM 25 OE1 GLN A 2 5.998 -12.264 -3.277 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.323 -12.560 -5.070 1.00 0.00 N ATOM 0 H GLN A 2 9.643 -9.040 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 2 7.448 -7.857 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.669 -10.565 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.122 -9.839 -2.256 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.716 -9.741 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.335 -10.318 -4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.991 -12.149 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.050 -13.538 -5.168 1.00 0.00 H new ATOM 35 N ILE A 3 6.071 -7.541 -0.976 1.00 0.00 N ATOM 36 CA ILE A 3 5.495 -7.017 0.249 1.00 0.00 C ATOM 37 C ILE A 3 4.098 -7.601 0.422 1.00 0.00 C ATOM 38 O ILE A 3 3.605 -8.299 -0.463 1.00 0.00 O ATOM 39 CB ILE A 3 5.455 -5.486 0.208 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.601 -5.019 -0.974 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.879 -4.940 0.085 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.383 -3.507 -0.921 1.00 0.00 C ATOM 0 H ILE A 3 5.396 -7.656 -1.732 1.00 0.00 H new ATOM 0 HA ILE A 3 6.110 -7.304 1.102 1.00 0.00 H new ATOM 0 HB ILE A 3 5.010 -5.110 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.090 -5.288 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.639 -5.531 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.850 -3.851 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.468 -5.264 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.335 -5.315 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.774 -3.197 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.873 -3.245 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.346 -2.999 -0.961 1.00 0.00 H new ATOM 54 N PHE A 4 3.442 -7.289 1.542 1.00 0.00 N ATOM 55 CA PHE A 4 2.115 -7.808 1.816 1.00 0.00 C ATOM 56 C PHE A 4 1.204 -6.679 2.276 1.00 0.00 C ATOM 57 O PHE A 4 1.310 -6.218 3.409 1.00 0.00 O ATOM 58 CB PHE A 4 2.203 -8.901 2.880 1.00 0.00 C ATOM 59 CG PHE A 4 2.959 -10.127 2.425 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.285 -11.161 1.761 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.332 -10.238 2.681 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.985 -12.303 1.350 1.00 0.00 C ATOM 63 CE2 PHE A 4 5.031 -11.381 2.272 1.00 0.00 C ATOM 64 CZ PHE A 4 4.357 -12.413 1.607 1.00 0.00 C ATOM 0 H PHE A 4 3.815 -6.679 2.269 1.00 0.00 H new ATOM 0 HA PHE A 4 1.696 -8.239 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.687 -8.494 3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.195 -9.194 3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.226 -11.077 1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.852 -9.442 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.466 -13.098 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.089 -11.466 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.896 -13.294 1.292 1.00 0.00 H new ATOM 74 N VAL A 5 0.321 -6.220 1.387 1.00 0.00 N ATOM 75 CA VAL A 5 -0.630 -5.177 1.718 1.00 0.00 C ATOM 76 C VAL A 5 -1.947 -5.834 2.098 1.00 0.00 C ATOM 77 O VAL A 5 -2.475 -6.642 1.339 1.00 0.00 O ATOM 78 CB VAL A 5 -0.810 -4.247 0.517 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.755 -3.107 0.893 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.540 -3.665 0.103 1.00 0.00 C ATOM 0 H VAL A 5 0.251 -6.562 0.429 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.270 -4.580 2.556 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.229 -4.815 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.884 -2.444 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.722 -3.517 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.334 -2.546 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.404 -3.004 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.963 -3.101 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.218 -4.475 -0.168 1.00 0.00 H new ATOM 90 N LYS A 6 -2.465 -5.519 3.286 1.00 0.00 N ATOM 91 CA LYS A 6 -3.670 -6.163 3.772 1.00 0.00 C ATOM 92 C LYS A 6 -4.771 -5.133 3.972 1.00 0.00 C ATOM 93 O LYS A 6 -4.613 -4.192 4.748 1.00 0.00 O ATOM 94 CB LYS A 6 -3.351 -6.910 5.065 1.00 0.00 C ATOM 95 CG LYS A 6 -4.516 -7.820 5.440 1.00 0.00 C ATOM 96 CD LYS A 6 -4.113 -8.677 6.637 1.00 0.00 C ATOM 97 CE LYS A 6 -5.220 -9.680 6.946 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.842 -10.554 8.067 1.00 0.00 N ATOM 0 H LYS A 6 -2.067 -4.826 3.920 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.030 -6.884 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.443 -7.500 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.161 -6.199 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.396 -7.224 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.784 -8.455 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.182 -9.202 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.930 -8.044 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.140 -9.148 7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.425 -10.284 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.612 -11.227 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.977 -11.077 7.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.670 -9.977 8.915 1.00 0.00 H new ATOM 112 N THR A 7 -5.860 -5.281 3.214 1.00 0.00 N ATOM 113 CA THR A 7 -6.982 -4.364 3.263 1.00 0.00 C ATOM 114 C THR A 7 -7.666 -4.438 4.623 1.00 0.00 C ATOM 115 O THR A 7 -7.357 -5.310 5.432 1.00 0.00 O ATOM 116 CB THR A 7 -7.974 -4.731 2.161 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.446 -6.038 2.390 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.295 -4.674 0.795 1.00 0.00 C ATOM 0 H THR A 7 -5.981 -6.045 2.549 1.00 0.00 H new ATOM 0 HA THR A 7 -6.624 -3.346 3.112 1.00 0.00 H new ATOM 0 HB THR A 7 -8.802 -4.022 2.173 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.426 -6.042 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.014 -4.938 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.922 -3.666 0.616 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.463 -5.378 0.773 1.00 0.00 H new ATOM 126 N ALA A 8 -8.648 -3.559 4.845 1.00 0.00 N ATOM 127 CA ALA A 8 -9.419 -3.563 6.072 1.00 0.00 C ATOM 128 C ALA A 8 -10.397 -4.734 6.072 1.00 0.00 C ATOM 129 O ALA A 8 -10.966 -5.066 7.109 1.00 0.00 O ATOM 130 CB ALA A 8 -10.176 -2.242 6.194 1.00 0.00 C ATOM 0 H ALA A 8 -8.922 -2.835 4.181 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.748 -3.674 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.758 -2.240 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.465 -1.416 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.846 -2.126 5.342 1.00 0.00 H new ATOM 136 N THR A 9 -10.583 -5.371 4.912 1.00 0.00 N ATOM 137 CA THR A 9 -11.459 -6.523 4.803 1.00 0.00 C ATOM 138 C THR A 9 -10.672 -7.795 5.104 1.00 0.00 C ATOM 139 O THR A 9 -11.230 -8.890 5.094 1.00 0.00 O ATOM 140 CB THR A 9 -12.079 -6.575 3.405 1.00 0.00 C ATOM 141 OG1 THR A 9 -11.057 -6.536 2.435 1.00 0.00 O ATOM 142 CG2 THR A 9 -13.003 -5.374 3.202 1.00 0.00 C ATOM 0 H THR A 9 -10.133 -5.101 4.037 1.00 0.00 H new ATOM 0 HA THR A 9 -12.268 -6.439 5.529 1.00 0.00 H new ATOM 0 HB THR A 9 -12.651 -7.497 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.454 -6.571 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.441 -5.417 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.797 -5.395 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.430 -4.453 3.308 1.00 0.00 H new ATOM 150 N GLY A 10 -9.377 -7.645 5.395 1.00 0.00 N ATOM 151 CA GLY A 10 -8.528 -8.764 5.758 1.00 0.00 C ATOM 152 C GLY A 10 -7.959 -9.447 4.520 1.00 0.00 C ATOM 153 O GLY A 10 -7.183 -10.392 4.642 1.00 0.00 O ATOM 0 H GLY A 10 -8.897 -6.745 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.712 -8.415 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.100 -9.484 6.343 1.00 0.00 H new ATOM 157 N LYS A 11 -8.353 -8.991 3.329 1.00 0.00 N ATOM 158 CA LYS A 11 -7.850 -9.563 2.094 1.00 0.00 C ATOM 159 C LYS A 11 -6.380 -9.199 1.926 1.00 0.00 C ATOM 160 O LYS A 11 -6.053 -8.040 1.677 1.00 0.00 O ATOM 161 CB LYS A 11 -8.665 -9.043 0.911 1.00 0.00 C ATOM 162 CG LYS A 11 -10.121 -9.489 1.034 1.00 0.00 C ATOM 163 CD LYS A 11 -10.911 -8.958 -0.160 1.00 0.00 C ATOM 164 CE LYS A 11 -12.373 -9.384 -0.048 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.162 -8.877 -1.184 1.00 0.00 N ATOM 0 H LYS A 11 -9.018 -8.228 3.201 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.944 -10.648 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.613 -7.955 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.241 -9.414 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.179 -10.577 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.551 -9.117 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.842 -7.871 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.483 -9.337 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.436 -10.472 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.793 -9.011 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.151 -9.181 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.119 -7.838 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.773 -9.254 -2.072 1.00 0.00 H new ATOM 179 N THR A 12 -5.494 -10.187 2.061 1.00 0.00 N ATOM 180 CA THR A 12 -4.072 -9.971 1.876 1.00 0.00 C ATOM 181 C THR A 12 -3.769 -9.860 0.388 1.00 0.00 C ATOM 182 O THR A 12 -4.338 -10.592 -0.420 1.00 0.00 O ATOM 183 CB THR A 12 -3.298 -11.132 2.499 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.780 -11.373 3.803 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.810 -10.795 2.559 1.00 0.00 C ATOM 0 H THR A 12 -5.745 -11.146 2.299 1.00 0.00 H new ATOM 0 HA THR A 12 -3.768 -9.046 2.365 1.00 0.00 H new ATOM 0 HB THR A 12 -3.437 -12.023 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.285 -12.119 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.266 -11.628 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.437 -10.615 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.664 -9.901 3.165 1.00 0.00 H new ATOM 193 N ILE A 13 -2.880 -8.933 0.025 1.00 0.00 N ATOM 194 CA ILE A 13 -2.505 -8.719 -1.358 1.00 0.00 C ATOM 195 C ILE A 13 -0.988 -8.735 -1.486 1.00 0.00 C ATOM 196 O ILE A 13 -0.318 -7.797 -1.058 1.00 0.00 O ATOM 197 CB ILE A 13 -3.081 -7.386 -1.847 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.582 -7.318 -1.547 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.837 -7.251 -3.350 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.153 -5.967 -1.974 1.00 0.00 C ATOM 0 H ILE A 13 -2.406 -8.316 0.685 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.911 -9.519 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.587 -6.566 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.100 -8.121 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.753 -7.471 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.246 -6.304 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.766 -7.280 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.325 -8.073 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.220 -5.937 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.647 -5.170 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.000 -5.829 -3.044 1.00 0.00 H new ATOM 212 N THR A 14 -0.443 -9.807 -2.067 1.00 0.00 N ATOM 213 CA THR A 14 0.981 -9.891 -2.319 1.00 0.00 C ATOM 214 C THR A 14 1.327 -8.902 -3.422 1.00 0.00 C ATOM 215 O THR A 14 0.771 -8.980 -4.517 1.00 0.00 O ATOM 216 CB THR A 14 1.346 -11.316 -2.730 1.00 0.00 C ATOM 217 OG1 THR A 14 0.834 -12.229 -1.784 1.00 0.00 O ATOM 218 CG2 THR A 14 2.864 -11.457 -2.795 1.00 0.00 C ATOM 0 H THR A 14 -0.974 -10.624 -2.368 1.00 0.00 H new ATOM 0 HA THR A 14 1.547 -9.645 -1.421 1.00 0.00 H new ATOM 0 HB THR A 14 0.917 -11.527 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.068 -13.142 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.123 -12.474 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.264 -10.755 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.292 -11.242 -1.816 1.00 0.00 H new ATOM 226 N LEU A 15 2.184 -7.926 -3.116 1.00 0.00 N ATOM 227 CA LEU A 15 2.491 -6.870 -4.062 1.00 0.00 C ATOM 228 C LEU A 15 3.981 -6.858 -4.375 1.00 0.00 C ATOM 229 O LEU A 15 4.790 -7.324 -3.575 1.00 0.00 O ATOM 230 CB LEU A 15 2.042 -5.534 -3.469 1.00 0.00 C ATOM 231 CG LEU A 15 1.704 -4.526 -4.566 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.435 -4.964 -5.294 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.471 -3.159 -3.925 1.00 0.00 C ATOM 0 H LEU A 15 2.672 -7.851 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 15 1.960 -7.042 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.170 -5.690 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.831 -5.132 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 15 2.526 -4.470 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.197 -4.243 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.593 -5.945 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.391 -5.017 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.229 -2.431 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.644 -3.225 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.373 -2.845 -3.401 1.00 0.00 H new ATOM 245 N GLU A 16 4.340 -6.299 -5.533 1.00 0.00 N ATOM 246 CA GLU A 16 5.723 -6.193 -5.955 1.00 0.00 C ATOM 247 C GLU A 16 5.966 -4.806 -6.532 1.00 0.00 C ATOM 248 O GLU A 16 5.415 -4.467 -7.578 1.00 0.00 O ATOM 249 CB GLU A 16 6.023 -7.276 -6.988 1.00 0.00 C ATOM 250 CG GLU A 16 7.479 -7.168 -7.436 1.00 0.00 C ATOM 251 CD GLU A 16 7.817 -8.232 -8.472 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.924 -9.060 -8.755 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.933 -8.144 -9.029 1.00 0.00 O ATOM 0 H GLU A 16 3.673 -5.909 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 16 6.388 -6.336 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.835 -8.261 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.359 -7.168 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.661 -6.178 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.137 -7.275 -6.573 1.00 0.00 H new ATOM 260 N VAL A 17 6.734 -3.981 -5.817 1.00 0.00 N ATOM 261 CA VAL A 17 7.028 -2.632 -6.263 1.00 0.00 C ATOM 262 C VAL A 17 8.526 -2.373 -6.183 1.00 0.00 C ATOM 263 O VAL A 17 9.250 -3.117 -5.524 1.00 0.00 O ATOM 264 CB VAL A 17 6.260 -1.632 -5.400 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.758 -1.858 -5.556 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.650 -1.799 -3.931 1.00 0.00 C ATOM 0 H VAL A 17 7.161 -4.232 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 17 6.715 -2.514 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 17 6.510 -0.622 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.216 -1.142 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.476 -1.723 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.508 -2.871 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.097 -1.082 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.412 -2.811 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.720 -1.623 -3.816 1.00 0.00 H new ATOM 276 N GLU A 18 8.985 -1.290 -6.817 1.00 0.00 N ATOM 277 CA GLU A 18 10.378 -0.900 -6.726 1.00 0.00 C ATOM 278 C GLU A 18 10.569 -0.061 -5.467 1.00 0.00 C ATOM 279 O GLU A 18 9.665 0.670 -5.069 1.00 0.00 O ATOM 280 CB GLU A 18 10.773 -0.091 -7.960 1.00 0.00 C ATOM 281 CG GLU A 18 10.673 -0.934 -9.233 1.00 0.00 C ATOM 282 CD GLU A 18 11.095 -2.379 -8.993 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.212 -2.565 -8.462 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.363 -3.269 -9.479 1.00 0.00 O ATOM 0 H GLU A 18 8.409 -0.677 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 18 11.010 -1.787 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.126 0.782 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.792 0.278 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.648 -0.912 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.302 -0.496 -10.008 1.00 0.00 H new ATOM 291 N PRO A 19 11.768 -0.108 -4.881 1.00 0.00 N ATOM 292 CA PRO A 19 12.099 0.598 -3.660 1.00 0.00 C ATOM 293 C PRO A 19 11.910 2.108 -3.784 1.00 0.00 C ATOM 294 O PRO A 19 11.766 2.790 -2.771 1.00 0.00 O ATOM 295 CB PRO A 19 13.566 0.266 -3.379 1.00 0.00 C ATOM 296 CG PRO A 19 13.831 -1.023 -4.156 1.00 0.00 C ATOM 297 CD PRO A 19 12.846 -0.969 -5.318 1.00 0.00 C ATOM 0 HA PRO A 19 11.437 0.287 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.224 1.070 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.743 0.128 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.861 -1.070 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.666 -1.903 -3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.322 -0.575 -6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.476 -1.964 -5.564 1.00 0.00 H new ATOM 305 N SER A 20 11.924 2.637 -5.011 1.00 0.00 N ATOM 306 CA SER A 20 11.945 4.077 -5.217 1.00 0.00 C ATOM 307 C SER A 20 10.827 4.537 -6.149 1.00 0.00 C ATOM 308 O SER A 20 10.927 5.608 -6.744 1.00 0.00 O ATOM 309 CB SER A 20 13.313 4.480 -5.764 1.00 0.00 C ATOM 310 OG SER A 20 14.321 4.045 -4.877 1.00 0.00 O ATOM 0 H SER A 20 11.921 2.087 -5.870 1.00 0.00 H new ATOM 0 HA SER A 20 11.773 4.569 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.466 4.040 -6.750 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.363 5.562 -5.886 1.00 0.00 H new ATOM 0 HG SER A 20 15.199 4.302 -5.228 1.00 0.00 H new ATOM 316 N ASP A 21 9.781 3.724 -6.309 1.00 0.00 N ATOM 317 CA ASP A 21 8.658 4.092 -7.161 1.00 0.00 C ATOM 318 C ASP A 21 7.678 4.967 -6.381 1.00 0.00 C ATOM 319 O ASP A 21 6.666 5.398 -6.928 1.00 0.00 O ATOM 320 CB ASP A 21 7.951 2.834 -7.671 1.00 0.00 C ATOM 321 CG ASP A 21 8.567 2.327 -8.971 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.018 1.341 -9.510 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.534 2.965 -9.439 1.00 0.00 O ATOM 0 H ASP A 21 9.692 2.812 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 21 9.031 4.655 -8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.007 2.053 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.894 3.049 -7.829 1.00 0.00 H new ATOM 328 N THR A 22 7.991 5.235 -5.109 1.00 0.00 N ATOM 329 CA THR A 22 7.190 6.080 -4.236 1.00 0.00 C ATOM 330 C THR A 22 5.963 5.321 -3.738 1.00 0.00 C ATOM 331 O THR A 22 5.506 4.379 -4.382 1.00 0.00 O ATOM 332 CB THR A 22 6.798 7.368 -4.967 1.00 0.00 C ATOM 333 OG1 THR A 22 7.955 7.969 -5.506 1.00 0.00 O ATOM 334 CG2 THR A 22 6.137 8.347 -4.000 1.00 0.00 C ATOM 0 H THR A 22 8.824 4.861 -4.655 1.00 0.00 H new ATOM 0 HA THR A 22 7.782 6.356 -3.363 1.00 0.00 H new ATOM 0 HB THR A 22 6.096 7.120 -5.763 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.707 8.793 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.864 9.257 -4.534 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.241 7.892 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.833 8.592 -3.198 1.00 0.00 H new ATOM 342 N ILE A 23 5.440 5.732 -2.580 1.00 0.00 N ATOM 343 CA ILE A 23 4.284 5.098 -1.969 1.00 0.00 C ATOM 344 C ILE A 23 3.102 5.086 -2.933 1.00 0.00 C ATOM 345 O ILE A 23 2.275 4.179 -2.881 1.00 0.00 O ATOM 346 CB ILE A 23 3.923 5.850 -0.684 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.013 5.651 0.375 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.585 5.349 -0.138 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.069 4.197 0.845 1.00 0.00 C ATOM 0 H ILE A 23 5.812 6.516 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 23 4.526 4.063 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 23 3.842 6.912 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.980 5.940 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.820 6.304 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.339 5.891 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.804 5.515 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.657 4.284 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.852 4.087 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.109 3.917 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.287 3.548 -0.004 1.00 0.00 H new ATOM 361 N GLU A 24 3.000 6.101 -3.795 1.00 0.00 N ATOM 362 CA GLU A 24 1.880 6.193 -4.715 1.00 0.00 C ATOM 363 C GLU A 24 1.820 4.960 -5.611 1.00 0.00 C ATOM 364 O GLU A 24 0.735 4.524 -5.991 1.00 0.00 O ATOM 365 CB GLU A 24 1.989 7.474 -5.538 1.00 0.00 C ATOM 366 CG GLU A 24 0.732 7.629 -6.392 1.00 0.00 C ATOM 367 CD GLU A 24 0.659 9.017 -7.012 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.166 9.923 -6.307 1.00 0.00 O ATOM 369 OE2 GLU A 24 0.940 9.112 -8.227 1.00 0.00 O ATOM 0 H GLU A 24 3.676 6.861 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 24 0.952 6.231 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.105 8.335 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.873 7.438 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.728 6.875 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.152 7.454 -5.779 1.00 0.00 H new ATOM 376 N ASN A 25 2.978 4.369 -5.907 1.00 0.00 N ATOM 377 CA ASN A 25 3.038 3.183 -6.740 1.00 0.00 C ATOM 378 C ASN A 25 2.414 1.987 -6.029 1.00 0.00 C ATOM 379 O ASN A 25 1.874 1.097 -6.683 1.00 0.00 O ATOM 380 CB ASN A 25 4.492 2.901 -7.104 1.00 0.00 C ATOM 381 CG ASN A 25 4.607 1.709 -8.042 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.907 0.602 -7.602 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.409 1.938 -9.341 1.00 0.00 N ATOM 0 H ASN A 25 3.885 4.699 -5.578 1.00 0.00 H new ATOM 0 HA ASN A 25 2.466 3.355 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.928 3.781 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.065 2.709 -6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.505 1.177 -10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.161 2.874 -9.662 1.00 0.00 H new ATOM 390 N VAL A 26 2.445 1.977 -4.693 1.00 0.00 N ATOM 391 CA VAL A 26 1.848 0.890 -3.938 1.00 0.00 C ATOM 392 C VAL A 26 0.339 0.913 -4.149 1.00 0.00 C ATOM 393 O VAL A 26 -0.310 -0.131 -4.140 1.00 0.00 O ATOM 394 CB VAL A 26 2.179 1.049 -2.451 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.593 -0.120 -1.663 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.691 1.079 -2.243 1.00 0.00 C ATOM 0 H VAL A 26 2.875 2.706 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 26 2.247 -0.064 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 26 1.748 1.987 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.831 -0.002 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.511 -0.139 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.018 -1.055 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.910 1.192 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.127 0.148 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.117 1.918 -2.793 1.00 0.00 H new ATOM 406 N LYS A 27 -0.212 2.108 -4.378 1.00 0.00 N ATOM 407 CA LYS A 27 -1.634 2.268 -4.619 1.00 0.00 C ATOM 408 C LYS A 27 -1.955 1.958 -6.076 1.00 0.00 C ATOM 409 O LYS A 27 -3.058 1.509 -6.384 1.00 0.00 O ATOM 410 CB LYS A 27 -2.045 3.703 -4.284 1.00 0.00 C ATOM 411 CG LYS A 27 -1.791 3.990 -2.804 1.00 0.00 C ATOM 412 CD LYS A 27 -2.276 5.395 -2.447 1.00 0.00 C ATOM 413 CE LYS A 27 -1.423 6.435 -3.171 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.835 7.803 -2.817 1.00 0.00 N ATOM 0 H LYS A 27 0.316 2.980 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.189 1.576 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.482 4.404 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.100 3.851 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.307 3.252 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.727 3.898 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.323 5.511 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.216 5.548 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.374 6.291 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.510 6.294 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.238 8.487 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.830 7.946 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.729 7.943 -1.792 1.00 0.00 H new ATOM 428 N ALA A 28 -0.993 2.189 -6.974 1.00 0.00 N ATOM 429 CA ALA A 28 -1.215 2.004 -8.396 1.00 0.00 C ATOM 430 C ALA A 28 -1.230 0.522 -8.757 1.00 0.00 C ATOM 431 O ALA A 28 -2.035 0.098 -9.584 1.00 0.00 O ATOM 432 CB ALA A 28 -0.113 2.722 -9.168 1.00 0.00 C ATOM 0 H ALA A 28 -0.054 2.505 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.186 2.423 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.272 2.588 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.134 3.785 -8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.856 2.307 -8.890 1.00 0.00 H new ATOM 438 N LYS A 29 -0.389 -0.279 -8.098 1.00 0.00 N ATOM 439 CA LYS A 29 -0.331 -1.704 -8.378 1.00 0.00 C ATOM 440 C LYS A 29 -1.566 -2.407 -7.830 1.00 0.00 C ATOM 441 O LYS A 29 -1.889 -3.510 -8.265 1.00 0.00 O ATOM 442 CB LYS A 29 0.935 -2.298 -7.760 1.00 0.00 C ATOM 443 CG LYS A 29 2.173 -1.875 -8.550 1.00 0.00 C ATOM 444 CD LYS A 29 2.197 -2.610 -9.889 1.00 0.00 C ATOM 445 CE LYS A 29 3.534 -2.374 -10.587 1.00 0.00 C ATOM 446 NZ LYS A 29 3.638 -3.183 -11.812 1.00 0.00 N ATOM 0 H LYS A 29 0.254 0.038 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.305 -1.851 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.029 -1.970 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.862 -3.385 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.162 -0.798 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.075 -2.102 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.043 -3.677 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.380 -2.260 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.638 -1.318 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.351 -2.625 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.555 -3.005 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.562 -4.191 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.871 -2.925 -12.465 1.00 0.00 H new ATOM 460 N ILE A 30 -2.267 -1.776 -6.886 1.00 0.00 N ATOM 461 CA ILE A 30 -3.478 -2.359 -6.341 1.00 0.00 C ATOM 462 C ILE A 30 -4.682 -1.889 -7.151 1.00 0.00 C ATOM 463 O ILE A 30 -5.709 -2.561 -7.176 1.00 0.00 O ATOM 464 CB ILE A 30 -3.613 -1.976 -4.867 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.476 -2.625 -4.076 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.950 -2.471 -4.317 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.476 -2.118 -2.636 1.00 0.00 C ATOM 0 H ILE A 30 -2.014 -0.870 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.430 -3.446 -6.406 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.566 -0.891 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.589 -3.709 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.520 -2.399 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.037 -2.193 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.765 -2.018 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.003 -3.556 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.662 -2.588 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.341 -1.036 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.426 -2.367 -2.163 1.00 0.00 H new ATOM 479 N GLN A 31 -4.536 -0.766 -7.861 1.00 0.00 N ATOM 480 CA GLN A 31 -5.593 -0.271 -8.725 1.00 0.00 C ATOM 481 C GLN A 31 -5.829 -1.270 -9.850 1.00 0.00 C ATOM 482 O GLN A 31 -6.950 -1.419 -10.326 1.00 0.00 O ATOM 483 CB GLN A 31 -5.195 1.092 -9.291 1.00 0.00 C ATOM 484 CG GLN A 31 -6.316 1.638 -10.175 1.00 0.00 C ATOM 485 CD GLN A 31 -5.925 2.980 -10.777 1.00 0.00 C ATOM 486 OE1 GLN A 31 -6.596 3.985 -10.556 1.00 0.00 O ATOM 487 NE2 GLN A 31 -4.841 2.990 -11.553 1.00 0.00 N ATOM 0 H GLN A 31 -3.695 -0.189 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.515 -0.155 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.991 1.788 -8.477 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.276 1.000 -9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.536 0.927 -10.972 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.227 1.750 -9.587 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.316 2.129 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.537 3.859 -11.993 1.00 0.00 H new ATOM 496 N ASP A 32 -4.767 -1.961 -10.269 1.00 0.00 N ATOM 497 CA ASP A 32 -4.855 -2.944 -11.331 1.00 0.00 C ATOM 498 C ASP A 32 -5.441 -4.250 -10.805 1.00 0.00 C ATOM 499 O ASP A 32 -6.003 -5.030 -11.570 1.00 0.00 O ATOM 500 CB ASP A 32 -3.459 -3.184 -11.900 1.00 0.00 C ATOM 501 CG ASP A 32 -3.497 -4.183 -13.046 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.177 -5.362 -12.781 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.705 -3.724 -14.190 1.00 0.00 O ATOM 0 H ASP A 32 -3.831 -1.850 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.513 -2.570 -12.116 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.039 -2.241 -12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.801 -3.554 -11.113 1.00 0.00 H new ATOM 508 N LYS A 33 -5.288 -4.501 -9.502 1.00 0.00 N ATOM 509 CA LYS A 33 -5.710 -5.757 -8.913 1.00 0.00 C ATOM 510 C LYS A 33 -7.114 -5.641 -8.329 1.00 0.00 C ATOM 511 O LYS A 33 -8.019 -6.361 -8.744 1.00 0.00 O ATOM 512 CB LYS A 33 -4.708 -6.151 -7.829 1.00 0.00 C ATOM 513 CG LYS A 33 -4.955 -7.583 -7.354 1.00 0.00 C ATOM 514 CD LYS A 33 -4.584 -8.573 -8.457 1.00 0.00 C ATOM 515 CE LYS A 33 -4.685 -10.001 -7.926 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.261 -10.972 -8.948 1.00 0.00 N ATOM 0 H LYS A 33 -4.873 -3.844 -8.841 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.739 -6.526 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.693 -6.062 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.789 -5.465 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.365 -7.785 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.002 -7.708 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.249 -8.445 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.571 -8.377 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.063 -10.108 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.711 -10.209 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.338 -11.936 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.871 -10.883 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.274 -10.784 -9.217 1.00 0.00 H new ATOM 530 N GLU A 34 -7.285 -4.763 -7.336 1.00 0.00 N ATOM 531 CA GLU A 34 -8.551 -4.620 -6.639 1.00 0.00 C ATOM 532 C GLU A 34 -9.449 -3.619 -7.359 1.00 0.00 C ATOM 533 O GLU A 34 -10.654 -3.584 -7.123 1.00 0.00 O ATOM 534 CB GLU A 34 -8.272 -4.162 -5.208 1.00 0.00 C ATOM 535 CG GLU A 34 -9.517 -4.318 -4.336 1.00 0.00 C ATOM 536 CD GLU A 34 -10.009 -5.759 -4.326 1.00 0.00 C ATOM 537 OE1 GLU A 34 -11.209 -5.950 -4.621 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.204 -6.631 -3.935 1.00 0.00 O ATOM 0 H GLU A 34 -6.551 -4.139 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.071 -5.578 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.453 -4.745 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.953 -3.120 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.292 -4.001 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.307 -3.664 -4.706 1.00 0.00 H new ATOM 545 N GLY A 35 -8.871 -2.835 -8.273 1.00 0.00 N ATOM 546 CA GLY A 35 -9.630 -1.888 -9.070 1.00 0.00 C ATOM 547 C GLY A 35 -9.864 -0.580 -8.322 1.00 0.00 C ATOM 548 O GLY A 35 -10.346 0.383 -8.913 1.00 0.00 O ATOM 0 H GLY A 35 -7.871 -2.844 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.097 -1.685 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.589 -2.328 -9.342 1.00 0.00 H new ATOM 552 N ILE A 36 -9.522 -0.534 -7.031 1.00 0.00 N ATOM 553 CA ILE A 36 -9.737 0.657 -6.225 1.00 0.00 C ATOM 554 C ILE A 36 -8.764 1.759 -6.642 1.00 0.00 C ATOM 555 O ILE A 36 -7.558 1.622 -6.438 1.00 0.00 O ATOM 556 CB ILE A 36 -9.550 0.309 -4.747 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.515 -0.814 -4.361 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.819 1.546 -3.892 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.261 -1.257 -2.921 1.00 0.00 C ATOM 0 H ILE A 36 -9.095 -1.312 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.752 1.021 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.526 -0.025 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.544 -0.471 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.389 -1.660 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.685 1.297 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.123 2.338 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.841 1.887 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.954 -2.056 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.237 -1.619 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.410 -0.412 -2.249 1.00 0.00 H new ATOM 571 N PRO A 37 -9.285 2.879 -7.159 1.00 0.00 N ATOM 572 CA PRO A 37 -8.492 4.025 -7.557 1.00 0.00 C ATOM 573 C PRO A 37 -7.820 4.662 -6.343 1.00 0.00 C ATOM 574 O PRO A 37 -8.152 4.333 -5.206 1.00 0.00 O ATOM 575 CB PRO A 37 -9.470 5.015 -8.200 1.00 0.00 C ATOM 576 CG PRO A 37 -10.744 4.211 -8.461 1.00 0.00 C ATOM 577 CD PRO A 37 -10.688 3.072 -7.448 1.00 0.00 C ATOM 0 HA PRO A 37 -7.700 3.736 -8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.666 5.859 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.065 5.422 -9.126 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.635 4.823 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.773 3.833 -9.483 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.244 3.323 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.133 2.164 -7.854 1.00 0.00 H new ATOM 585 N PRO A 38 -6.941 5.641 -6.582 1.00 0.00 N ATOM 586 CA PRO A 38 -6.292 6.406 -5.538 1.00 0.00 C ATOM 587 C PRO A 38 -7.329 7.102 -4.661 1.00 0.00 C ATOM 588 O PRO A 38 -8.500 7.180 -5.029 1.00 0.00 O ATOM 589 CB PRO A 38 -5.416 7.435 -6.256 1.00 0.00 C ATOM 590 CG PRO A 38 -5.256 6.895 -7.678 1.00 0.00 C ATOM 591 CD PRO A 38 -6.493 6.030 -7.900 1.00 0.00 C ATOM 0 HA PRO A 38 -5.701 5.767 -4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.884 8.419 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.450 7.543 -5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.202 7.704 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.341 6.312 -7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.268 6.584 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.256 5.156 -8.507 1.00 0.00 H new ATOM 599 N ASP A 39 -6.877 7.649 -3.528 1.00 0.00 N ATOM 600 CA ASP A 39 -7.703 8.409 -2.599 1.00 0.00 C ATOM 601 C ASP A 39 -8.638 7.496 -1.815 1.00 0.00 C ATOM 602 O ASP A 39 -8.733 7.613 -0.595 1.00 0.00 O ATOM 603 CB ASP A 39 -8.494 9.481 -3.347 1.00 0.00 C ATOM 604 CG ASP A 39 -9.097 10.484 -2.372 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.189 10.181 -1.845 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.446 11.529 -2.154 1.00 0.00 O ATOM 0 H ASP A 39 -5.905 7.571 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.043 8.899 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.841 9.998 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.286 9.014 -3.932 1.00 0.00 H new ATOM 611 N GLN A 40 -9.325 6.582 -2.506 1.00 0.00 N ATOM 612 CA GLN A 40 -10.242 5.668 -1.851 1.00 0.00 C ATOM 613 C GLN A 40 -9.466 4.755 -0.909 1.00 0.00 C ATOM 614 O GLN A 40 -10.043 4.173 0.008 1.00 0.00 O ATOM 615 CB GLN A 40 -10.990 4.848 -2.902 1.00 0.00 C ATOM 616 CG GLN A 40 -11.964 5.748 -3.662 1.00 0.00 C ATOM 617 CD GLN A 40 -12.712 4.963 -4.733 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.295 3.920 -4.450 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.711 5.479 -5.964 1.00 0.00 N ATOM 0 H GLN A 40 -9.258 6.462 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.970 6.233 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.281 4.395 -3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.532 4.033 -2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.677 6.189 -2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.419 6.571 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.212 6.349 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.209 5.004 -6.717 1.00 0.00 H new ATOM 628 N GLN A 41 -8.152 4.651 -1.123 1.00 0.00 N ATOM 629 CA GLN A 41 -7.292 3.859 -0.268 1.00 0.00 C ATOM 630 C GLN A 41 -6.249 4.755 0.393 1.00 0.00 C ATOM 631 O GLN A 41 -5.860 5.776 -0.171 1.00 0.00 O ATOM 632 CB GLN A 41 -6.645 2.748 -1.095 1.00 0.00 C ATOM 633 CG GLN A 41 -5.685 3.341 -2.127 1.00 0.00 C ATOM 634 CD GLN A 41 -5.149 2.257 -3.052 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.334 1.433 -2.641 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.606 2.255 -4.305 1.00 0.00 N ATOM 0 H GLN A 41 -7.666 5.114 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.876 3.395 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.106 2.064 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.416 2.165 -1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.199 4.104 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.856 3.834 -1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.282 2.958 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.279 1.550 -4.966 1.00 0.00 H new ATOM 645 N ARG A 42 -5.747 4.328 1.554 1.00 0.00 N ATOM 646 CA ARG A 42 -4.739 5.063 2.299 1.00 0.00 C ATOM 647 C ARG A 42 -3.815 4.059 2.975 1.00 0.00 C ATOM 648 O ARG A 42 -4.269 3.005 3.414 1.00 0.00 O ATOM 649 CB ARG A 42 -5.425 5.951 3.335 1.00 0.00 C ATOM 650 CG ARG A 42 -6.038 7.176 2.653 1.00 0.00 C ATOM 651 CD ARG A 42 -6.964 7.907 3.622 1.00 0.00 C ATOM 652 NE ARG A 42 -8.154 7.105 3.899 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.196 7.545 4.616 1.00 0.00 C ATOM 654 NH1 ARG A 42 -9.168 8.767 5.164 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.267 6.761 4.784 1.00 0.00 N ATOM 0 H ARG A 42 -6.034 3.457 2.001 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.155 5.699 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.201 5.387 3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.704 6.267 4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.248 7.847 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.595 6.869 1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.435 8.116 4.552 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.257 8.868 3.199 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.193 6.157 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.352 9.365 5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.963 9.100 5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.289 5.831 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.062 7.094 5.330 1.00 0.00 H new ATOM 669 N LEU A 43 -2.521 4.378 3.048 1.00 0.00 N ATOM 670 CA LEU A 43 -1.525 3.441 3.537 1.00 0.00 C ATOM 671 C LEU A 43 -0.990 3.869 4.897 1.00 0.00 C ATOM 672 O LEU A 43 -0.984 5.052 5.230 1.00 0.00 O ATOM 673 CB LEU A 43 -0.379 3.372 2.528 1.00 0.00 C ATOM 674 CG LEU A 43 -0.704 2.397 1.397 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.339 2.551 0.294 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.660 0.961 1.919 1.00 0.00 C ATOM 0 H LEU A 43 -2.144 5.284 2.772 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.987 2.461 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.192 4.364 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.536 3.059 3.032 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.700 2.613 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.115 1.859 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.320 3.573 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.328 2.331 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.893 0.272 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.336 0.744 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.392 0.842 2.718 1.00 0.00 H new ATOM 688 N ALA A 44 -0.480 2.892 5.653 1.00 0.00 N ATOM 689 CA ALA A 44 0.165 3.122 6.931 1.00 0.00 C ATOM 690 C ALA A 44 1.116 1.965 7.219 1.00 0.00 C ATOM 691 O ALA A 44 1.071 0.941 6.539 1.00 0.00 O ATOM 692 CB ALA A 44 -0.894 3.230 8.025 1.00 0.00 C ATOM 0 H ALA A 44 -0.509 1.909 5.383 1.00 0.00 H new ATOM 0 HA ALA A 44 0.731 4.053 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.409 3.403 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.564 4.061 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.467 2.304 8.070 1.00 0.00 H new ATOM 698 N PHE A 45 1.984 2.128 8.220 1.00 0.00 N ATOM 699 CA PHE A 45 2.916 1.085 8.606 1.00 0.00 C ATOM 700 C PHE A 45 3.156 1.133 10.109 1.00 0.00 C ATOM 701 O PHE A 45 3.741 2.091 10.610 1.00 0.00 O ATOM 702 CB PHE A 45 4.225 1.257 7.839 1.00 0.00 C ATOM 703 CG PHE A 45 5.113 0.035 7.889 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.730 -0.341 9.089 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.308 -0.732 6.733 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.539 -1.484 9.133 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.117 -1.875 6.777 1.00 0.00 C ATOM 708 CZ PHE A 45 6.732 -2.251 7.978 1.00 0.00 C ATOM 0 H PHE A 45 2.055 2.980 8.776 1.00 0.00 H new ATOM 0 HA PHE A 45 2.495 0.110 8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.000 1.492 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.768 2.109 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.582 0.250 9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.834 -0.442 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.014 -1.774 10.059 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.266 -2.466 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.355 -3.133 8.013 1.00 0.00 H new ATOM 718 N ALA A 46 2.740 0.084 10.824 1.00 0.00 N ATOM 719 CA ALA A 46 2.916 0.000 12.265 1.00 0.00 C ATOM 720 C ALA A 46 2.320 1.220 12.964 1.00 0.00 C ATOM 721 O ALA A 46 2.671 1.514 14.105 1.00 0.00 O ATOM 722 CB ALA A 46 4.401 -0.155 12.591 1.00 0.00 C ATOM 0 H ALA A 46 2.274 -0.726 10.416 1.00 0.00 H new ATOM 0 HA ALA A 46 2.382 -0.875 12.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.532 -0.218 13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.783 -1.064 12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.949 0.706 12.209 1.00 0.00 H new ATOM 728 N GLY A 47 1.419 1.930 12.281 1.00 0.00 N ATOM 729 CA GLY A 47 0.739 3.079 12.850 1.00 0.00 C ATOM 730 C GLY A 47 1.299 4.380 12.287 1.00 0.00 C ATOM 731 O GLY A 47 0.704 5.439 12.476 1.00 0.00 O ATOM 0 H GLY A 47 1.146 1.719 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.328 3.016 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.849 3.071 13.934 1.00 0.00 H new ATOM 735 N LYS A 48 2.425 4.304 11.574 1.00 0.00 N ATOM 736 CA LYS A 48 3.010 5.474 10.946 1.00 0.00 C ATOM 737 C LYS A 48 2.296 5.735 9.627 1.00 0.00 C ATOM 738 O LYS A 48 2.263 4.866 8.758 1.00 0.00 O ATOM 739 CB LYS A 48 4.503 5.240 10.710 1.00 0.00 C ATOM 740 CG LYS A 48 5.195 4.890 12.028 1.00 0.00 C ATOM 741 CD LYS A 48 6.694 4.711 11.791 1.00 0.00 C ATOM 742 CE LYS A 48 7.384 4.357 13.107 1.00 0.00 C ATOM 743 NZ LYS A 48 8.839 4.222 12.926 1.00 0.00 N ATOM 0 H LYS A 48 2.945 3.440 11.421 1.00 0.00 H new ATOM 0 HA LYS A 48 2.895 6.343 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.643 4.433 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.955 6.133 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.024 5.679 12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.770 3.975 12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.865 3.924 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.119 5.627 11.381 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.177 5.129 13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.975 3.424 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.281 3.981 13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.035 3.469 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.230 5.120 12.578 1.00 0.00 H new ATOM 757 N GLN A 49 1.715 6.928 9.479 1.00 0.00 N ATOM 758 CA GLN A 49 0.996 7.278 8.270 1.00 0.00 C ATOM 759 C GLN A 49 1.992 7.426 7.127 1.00 0.00 C ATOM 760 O GLN A 49 2.954 8.185 7.237 1.00 0.00 O ATOM 761 CB GLN A 49 0.226 8.581 8.496 1.00 0.00 C ATOM 762 CG GLN A 49 -0.104 9.246 7.160 1.00 0.00 C ATOM 763 CD GLN A 49 -1.016 10.449 7.359 1.00 0.00 C ATOM 764 OE1 GLN A 49 -2.127 10.480 6.833 1.00 0.00 O ATOM 765 NE2 GLN A 49 -0.548 11.442 8.116 1.00 0.00 N ATOM 0 H GLN A 49 1.733 7.662 10.187 1.00 0.00 H new ATOM 0 HA GLN A 49 0.281 6.496 8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.694 8.377 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.819 9.259 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.817 9.561 6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.586 8.525 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.381 11.372 8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.119 12.272 8.279 1.00 0.00 H new ATOM 774 N LEU A 50 1.782 6.674 6.044 1.00 0.00 N ATOM 775 CA LEU A 50 2.643 6.758 4.880 1.00 0.00 C ATOM 776 C LEU A 50 2.138 7.858 3.956 1.00 0.00 C ATOM 777 O LEU A 50 0.955 8.193 3.974 1.00 0.00 O ATOM 778 CB LEU A 50 2.659 5.415 4.150 1.00 0.00 C ATOM 779 CG LEU A 50 3.230 4.316 5.048 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.233 2.992 4.287 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.662 4.653 5.459 1.00 0.00 C ATOM 0 H LEU A 50 1.020 6.002 5.957 1.00 0.00 H new ATOM 0 HA LEU A 50 3.660 6.996 5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.647 5.151 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.257 5.496 3.242 1.00 0.00 H new ATOM 0 HG LEU A 50 2.610 4.237 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.639 2.207 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.213 2.735 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.848 3.088 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.053 3.861 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.285 4.742 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.671 5.597 6.004 1.00 0.00 H new ATOM 793 N GLU A 51 3.036 8.407 3.135 1.00 0.00 N ATOM 794 CA GLU A 51 2.685 9.474 2.218 1.00 0.00 C ATOM 795 C GLU A 51 3.527 9.355 0.952 1.00 0.00 C ATOM 796 O GLU A 51 4.611 8.776 0.978 1.00 0.00 O ATOM 797 CB GLU A 51 2.921 10.810 2.923 1.00 0.00 C ATOM 798 CG GLU A 51 2.540 11.984 2.025 1.00 0.00 C ATOM 799 CD GLU A 51 2.572 13.291 2.806 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.696 13.737 3.126 1.00 0.00 O ATOM 801 OE2 GLU A 51 1.474 13.836 3.052 1.00 0.00 O ATOM 0 H GLU A 51 4.015 8.123 3.093 1.00 0.00 H new ATOM 0 HA GLU A 51 1.637 9.408 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.336 10.847 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.970 10.893 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.228 12.042 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.543 11.825 1.613 1.00 0.00 H new ATOM 808 N ASP A 52 3.022 9.896 -0.159 1.00 0.00 N ATOM 809 CA ASP A 52 3.733 9.864 -1.424 1.00 0.00 C ATOM 810 C ASP A 52 4.722 11.021 -1.497 1.00 0.00 C ATOM 811 O ASP A 52 4.642 11.963 -0.711 1.00 0.00 O ATOM 812 CB ASP A 52 2.731 9.930 -2.576 1.00 0.00 C ATOM 813 CG ASP A 52 1.873 11.185 -2.494 1.00 0.00 C ATOM 814 OD1 ASP A 52 0.774 11.083 -1.904 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.360 12.240 -2.951 1.00 0.00 O ATOM 0 H ASP A 52 2.116 10.363 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 52 4.294 8.933 -1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.265 9.914 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.091 9.048 -2.555 1.00 0.00 H new ATOM 820 N GLY A 53 5.676 10.932 -2.426 1.00 0.00 N ATOM 821 CA GLY A 53 6.669 11.972 -2.616 1.00 0.00 C ATOM 822 C GLY A 53 7.997 11.577 -1.980 1.00 0.00 C ATOM 823 O GLY A 53 8.942 12.362 -1.986 1.00 0.00 O ATOM 0 H GLY A 53 5.775 10.139 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.811 12.155 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.314 12.904 -2.177 1.00 0.00 H new ATOM 827 N ARG A 54 8.067 10.370 -1.410 1.00 0.00 N ATOM 828 CA ARG A 54 9.282 9.903 -0.769 1.00 0.00 C ATOM 829 C ARG A 54 9.547 8.446 -1.134 1.00 0.00 C ATOM 830 O ARG A 54 8.620 7.701 -1.447 1.00 0.00 O ATOM 831 CB ARG A 54 9.140 10.078 0.745 1.00 0.00 C ATOM 832 CG ARG A 54 10.412 9.629 1.460 1.00 0.00 C ATOM 833 CD ARG A 54 10.282 9.901 2.956 1.00 0.00 C ATOM 834 NE ARG A 54 11.449 9.398 3.683 1.00 0.00 N ATOM 835 CZ ARG A 54 11.651 9.606 4.991 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.781 10.341 5.696 1.00 0.00 N ATOM 837 NH2 ARG A 54 12.725 9.079 5.592 1.00 0.00 N ATOM 0 H ARG A 54 7.293 9.706 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 54 10.134 10.488 -1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.935 11.123 0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.290 9.498 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.583 8.566 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.274 10.160 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.176 10.972 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.378 9.427 3.339 1.00 0.00 H new ATOM 0 HE ARG A 54 12.145 8.861 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.964 10.743 5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.936 10.499 6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.388 8.520 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.881 9.236 6.588 1.00 0.00 H new ATOM 851 N THR A 55 10.816 8.038 -1.053 1.00 0.00 N ATOM 852 CA THR A 55 11.231 6.668 -1.294 1.00 0.00 C ATOM 853 C THR A 55 10.574 5.761 -0.261 1.00 0.00 C ATOM 854 O THR A 55 10.807 5.915 0.936 1.00 0.00 O ATOM 855 CB THR A 55 12.754 6.601 -1.190 1.00 0.00 C ATOM 856 OG1 THR A 55 13.308 7.524 -2.101 1.00 0.00 O ATOM 857 CG2 THR A 55 13.250 5.202 -1.536 1.00 0.00 C ATOM 0 H THR A 55 11.587 8.662 -0.815 1.00 0.00 H new ATOM 0 HA THR A 55 10.927 6.336 -2.287 1.00 0.00 H new ATOM 0 HB THR A 55 13.056 6.839 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.286 7.493 -2.044 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.337 5.171 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.815 4.480 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.953 4.952 -2.555 1.00 0.00 H new ATOM 865 N LEU A 56 9.709 4.852 -0.717 1.00 0.00 N ATOM 866 CA LEU A 56 8.942 4.013 0.184 1.00 0.00 C ATOM 867 C LEU A 56 9.846 3.075 0.976 1.00 0.00 C ATOM 868 O LEU A 56 9.533 2.747 2.119 1.00 0.00 O ATOM 869 CB LEU A 56 7.893 3.233 -0.613 1.00 0.00 C ATOM 870 CG LEU A 56 8.536 2.294 -1.636 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.728 0.902 -1.037 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.608 2.177 -2.841 1.00 0.00 C ATOM 0 H LEU A 56 9.528 4.684 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 56 8.434 4.649 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.273 2.654 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.233 3.932 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 56 9.506 2.696 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.186 0.247 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.375 0.968 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.760 0.496 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.053 1.510 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.646 1.775 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.460 3.162 -3.284 1.00 0.00 H new ATOM 884 N SER A 57 10.981 2.667 0.398 1.00 0.00 N ATOM 885 CA SER A 57 11.871 1.738 1.072 1.00 0.00 C ATOM 886 C SER A 57 12.605 2.441 2.207 1.00 0.00 C ATOM 887 O SER A 57 13.060 1.792 3.147 1.00 0.00 O ATOM 888 CB SER A 57 12.863 1.161 0.066 1.00 0.00 C ATOM 889 OG SER A 57 13.639 2.199 -0.490 1.00 0.00 O ATOM 0 H SER A 57 11.296 2.966 -0.525 1.00 0.00 H new ATOM 0 HA SER A 57 11.286 0.923 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.510 0.434 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.328 0.632 -0.723 1.00 0.00 H new ATOM 0 HG SER A 57 13.259 2.465 -1.353 1.00 0.00 H new ATOM 895 N ASP A 58 12.693 3.771 2.136 1.00 0.00 N ATOM 896 CA ASP A 58 13.317 4.556 3.184 1.00 0.00 C ATOM 897 C ASP A 58 12.261 5.010 4.182 1.00 0.00 C ATOM 898 O ASP A 58 12.589 5.449 5.283 1.00 0.00 O ATOM 899 CB ASP A 58 14.013 5.762 2.560 1.00 0.00 C ATOM 900 CG ASP A 58 14.722 6.592 3.622 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.338 7.772 3.773 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.688 6.057 4.210 1.00 0.00 O ATOM 0 H ASP A 58 12.335 4.322 1.356 1.00 0.00 H new ATOM 0 HA ASP A 58 14.055 3.951 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.734 5.425 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.281 6.380 2.039 1.00 0.00 H new ATOM 907 N TYR A 59 10.989 4.901 3.792 1.00 0.00 N ATOM 908 CA TYR A 59 9.882 5.327 4.623 1.00 0.00 C ATOM 909 C TYR A 59 9.684 4.356 5.782 1.00 0.00 C ATOM 910 O TYR A 59 9.960 4.699 6.930 1.00 0.00 O ATOM 911 CB TYR A 59 8.622 5.432 3.763 1.00 0.00 C ATOM 912 CG TYR A 59 7.695 6.549 4.180 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.251 7.477 3.228 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.271 6.652 5.512 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.381 8.508 3.603 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.397 7.677 5.895 1.00 0.00 C ATOM 917 CZ TYR A 59 5.947 8.610 4.939 1.00 0.00 C ATOM 918 OH TYR A 59 5.091 9.605 5.304 1.00 0.00 O ATOM 0 H TYR A 59 10.707 4.514 2.891 1.00 0.00 H new ATOM 0 HA TYR A 59 10.097 6.306 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.914 5.582 2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.081 4.487 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.581 7.397 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.619 5.939 6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.043 9.224 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.068 7.752 6.921 1.00 0.00 H new ATOM 0 HH TYR A 59 4.412 9.246 5.913 1.00 0.00 H new ATOM 928 N ASN A 60 9.161 3.161 5.487 1.00 0.00 N ATOM 929 CA ASN A 60 8.910 2.150 6.501 1.00 0.00 C ATOM 930 C ASN A 60 8.874 0.768 5.857 1.00 0.00 C ATOM 931 O ASN A 60 9.062 -0.236 6.541 1.00 0.00 O ATOM 932 CB ASN A 60 7.569 2.428 7.178 1.00 0.00 C ATOM 933 CG ASN A 60 7.703 3.479 8.271 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.480 3.310 9.207 1.00 0.00 O ATOM 935 ND2 ASN A 60 6.903 4.543 8.181 1.00 0.00 N ATOM 0 H ASN A 60 8.904 2.876 4.542 1.00 0.00 H new ATOM 0 HA ASN A 60 9.708 2.181 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.848 2.765 6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.178 1.505 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.921 5.258 8.908 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.273 4.642 7.385 1.00 0.00 H new ATOM 942 N ILE A 61 8.546 0.712 4.563 1.00 0.00 N ATOM 943 CA ILE A 61 8.416 -0.545 3.850 1.00 0.00 C ATOM 944 C ILE A 61 9.706 -1.344 3.982 1.00 0.00 C ATOM 945 O ILE A 61 10.799 -0.786 3.901 1.00 0.00 O ATOM 946 CB ILE A 61 8.086 -0.274 2.379 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.593 0.018 2.225 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.408 -1.514 1.545 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.260 1.410 2.757 1.00 0.00 C ATOM 0 H ILE A 61 8.366 1.536 3.990 1.00 0.00 H new ATOM 0 HA ILE A 61 7.603 -1.130 4.281 1.00 0.00 H new ATOM 0 HB ILE A 61 8.675 0.579 2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.309 -0.053 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.013 -0.731 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.173 -1.320 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.467 -1.752 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.814 -2.356 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.193 1.599 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.524 1.469 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.825 2.157 2.200 1.00 0.00 H new ATOM 961 N GLN A 62 9.571 -2.658 4.176 1.00 0.00 N ATOM 962 CA GLN A 62 10.711 -3.543 4.298 1.00 0.00 C ATOM 963 C GLN A 62 10.500 -4.763 3.409 1.00 0.00 C ATOM 964 O GLN A 62 9.406 -4.976 2.889 1.00 0.00 O ATOM 965 CB GLN A 62 10.876 -3.957 5.759 1.00 0.00 C ATOM 966 CG GLN A 62 11.486 -2.810 6.562 1.00 0.00 C ATOM 967 CD GLN A 62 11.605 -3.183 8.034 1.00 0.00 C ATOM 968 OE1 GLN A 62 11.033 -4.178 8.474 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.356 -2.387 8.795 1.00 0.00 N ATOM 0 H GLN A 62 8.669 -3.128 4.251 1.00 0.00 H new ATOM 0 HA GLN A 62 11.619 -3.032 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.908 -4.231 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.514 -4.838 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.471 -2.565 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.868 -1.918 6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.812 -1.572 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.475 -2.593 9.787 1.00 0.00 H new ATOM 978 N LYS A 63 11.558 -5.556 3.231 1.00 0.00 N ATOM 979 CA LYS A 63 11.524 -6.733 2.383 1.00 0.00 C ATOM 980 C LYS A 63 10.551 -7.768 2.935 1.00 0.00 C ATOM 981 O LYS A 63 10.701 -8.234 4.063 1.00 0.00 O ATOM 982 CB LYS A 63 12.934 -7.309 2.245 1.00 0.00 C ATOM 983 CG LYS A 63 13.591 -7.508 3.610 1.00 0.00 C ATOM 984 CD LYS A 63 15.029 -7.973 3.402 1.00 0.00 C ATOM 985 CE LYS A 63 15.717 -8.122 4.756 1.00 0.00 C ATOM 986 NZ LYS A 63 17.122 -8.529 4.592 1.00 0.00 N ATOM 0 H LYS A 63 12.462 -5.393 3.675 1.00 0.00 H new ATOM 0 HA LYS A 63 11.169 -6.450 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.889 -8.262 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.545 -6.639 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.574 -6.577 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.037 -8.245 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.041 -8.924 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.569 -7.255 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.669 -7.178 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.188 -8.862 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.567 -8.623 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.163 -9.442 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.629 -7.810 4.038 1.00 0.00 H new ATOM 1000 N GLU A 64 9.567 -8.141 2.113 1.00 0.00 N ATOM 1001 CA GLU A 64 8.563 -9.133 2.458 1.00 0.00 C ATOM 1002 C GLU A 64 7.966 -8.854 3.833 1.00 0.00 C ATOM 1003 O GLU A 64 7.723 -9.779 4.605 1.00 0.00 O ATOM 1004 CB GLU A 64 9.170 -10.535 2.380 1.00 0.00 C ATOM 1005 CG GLU A 64 9.617 -10.840 0.949 1.00 0.00 C ATOM 1006 CD GLU A 64 10.979 -10.224 0.647 1.00 0.00 C ATOM 1007 OE1 GLU A 64 11.010 -9.294 -0.188 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.973 -10.751 1.194 1.00 0.00 O ATOM 0 H GLU A 64 9.449 -7.753 1.177 1.00 0.00 H new ATOM 0 HA GLU A 64 7.746 -9.073 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.021 -10.609 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.438 -11.274 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.664 -11.919 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.878 -10.455 0.246 1.00 0.00 H new ATOM 1015 N SER A 65 7.692 -7.579 4.122 1.00 0.00 N ATOM 1016 CA SER A 65 7.044 -7.197 5.363 1.00 0.00 C ATOM 1017 C SER A 65 5.581 -6.869 5.084 1.00 0.00 C ATOM 1018 O SER A 65 5.172 -6.784 3.927 1.00 0.00 O ATOM 1019 CB SER A 65 7.771 -6.003 5.974 1.00 0.00 C ATOM 1020 OG SER A 65 9.058 -6.407 6.385 1.00 0.00 O ATOM 0 H SER A 65 7.913 -6.797 3.506 1.00 0.00 H new ATOM 0 HA SER A 65 7.085 -8.020 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.845 -5.195 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.209 -5.616 6.824 1.00 0.00 H new ATOM 0 HG SER A 65 9.212 -6.118 7.309 1.00 0.00 H new ATOM 1026 N THR A 66 4.790 -6.688 6.145 1.00 0.00 N ATOM 1027 CA THR A 66 3.367 -6.444 6.003 1.00 0.00 C ATOM 1028 C THR A 66 3.059 -4.961 6.177 1.00 0.00 C ATOM 1029 O THR A 66 3.536 -4.328 7.117 1.00 0.00 O ATOM 1030 CB THR A 66 2.610 -7.287 7.028 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.999 -8.637 6.896 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.106 -7.171 6.791 1.00 0.00 C ATOM 0 H THR A 66 5.119 -6.707 7.110 1.00 0.00 H new ATOM 0 HA THR A 66 3.046 -6.731 5.002 1.00 0.00 H new ATOM 0 HB THR A 66 2.843 -6.928 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.517 -9.182 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.574 -7.775 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.802 -6.129 6.889 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.867 -7.526 5.788 1.00 0.00 H new ATOM 1040 N LEU A 67 2.249 -4.416 5.267 1.00 0.00 N ATOM 1041 CA LEU A 67 1.829 -3.028 5.312 1.00 0.00 C ATOM 1042 C LEU A 67 0.436 -2.952 5.926 1.00 0.00 C ATOM 1043 O LEU A 67 -0.194 -3.979 6.175 1.00 0.00 O ATOM 1044 CB LEU A 67 1.805 -2.455 3.894 1.00 0.00 C ATOM 1045 CG LEU A 67 3.197 -1.990 3.463 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.085 -3.191 3.141 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.058 -1.125 2.211 1.00 0.00 C ATOM 0 H LEU A 67 1.868 -4.935 4.476 1.00 0.00 H new ATOM 0 HA LEU A 67 2.526 -2.448 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.440 -3.211 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.109 -1.618 3.849 1.00 0.00 H new ATOM 0 HG LEU A 67 3.652 -1.422 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.072 -2.843 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.180 -3.821 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.638 -3.768 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.044 -0.786 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.600 -1.710 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.431 -0.261 2.433 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.070 -1.731 6.113 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.401 -1.516 6.645 1.00 0.00 C ATOM 1061 C HIS A 68 -2.167 -0.618 5.683 1.00 0.00 C ATOM 1062 O HIS A 68 -1.657 0.421 5.270 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.290 -0.890 8.034 1.00 0.00 C ATOM 1064 CG HIS A 68 -2.604 -0.820 8.766 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -3.765 -0.281 8.293 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -2.825 -1.243 10.052 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -4.726 -0.376 9.306 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.108 -0.964 10.351 1.00 0.00 N flip ATOM 0 H HIS A 68 0.436 -0.872 5.898 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.941 -2.458 6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.582 -1.467 8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.881 0.116 7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.104 -1.713 10.704 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.753 -0.046 9.260 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.552 -1.169 11.246 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.368 -1.043 5.282 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.151 -0.307 4.307 1.00 0.00 C ATOM 1078 C LEU A 69 -5.543 -0.027 4.860 1.00 0.00 C ATOM 1079 O LEU A 69 -6.109 -0.855 5.572 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.232 -1.129 3.018 1.00 0.00 C ATOM 1081 CG LEU A 69 -4.860 -0.317 1.883 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -3.855 0.698 1.347 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.252 -1.257 0.748 1.00 0.00 C ATOM 0 H LEU A 69 -3.813 -1.895 5.623 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.676 0.650 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.233 -1.454 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.821 -2.029 3.194 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.738 0.204 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.312 1.271 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.558 1.374 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.976 0.175 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.700 -0.682 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.365 -1.773 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.972 -1.989 1.114 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.116 1.117 4.477 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.467 1.490 4.853 1.00 0.00 C ATOM 1097 C ALA A 70 -8.245 1.824 3.588 1.00 0.00 C ATOM 1098 O ALA A 70 -7.690 2.411 2.660 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.424 2.681 5.808 1.00 0.00 C ATOM 0 H ALA A 70 -5.646 1.809 3.894 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.963 0.668 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.440 2.959 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.862 2.411 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.940 3.525 5.316 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.519 1.427 3.534 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.321 1.605 2.336 1.00 0.00 C ATOM 1107 C LEU A 71 -11.530 2.483 2.627 1.00 0.00 C ATOM 1108 O LEU A 71 -11.774 2.867 3.770 1.00 0.00 O ATOM 1109 CB LEU A 71 -10.780 0.242 1.800 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.640 -0.577 1.184 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -8.832 0.277 0.209 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -8.722 -1.160 2.257 1.00 0.00 C ATOM 0 H LEU A 71 -10.011 0.981 4.309 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.708 2.097 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.231 -0.328 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.555 0.396 1.050 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.091 -1.407 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.027 -0.321 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.483 0.632 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.408 1.130 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.926 -1.734 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.286 -0.350 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.298 -1.812 2.913 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.293 2.783 1.573 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.498 3.587 1.650 1.00 0.00 C ATOM 1126 C ARG A 72 -14.532 2.926 2.553 1.00 0.00 C ATOM 1127 O ARG A 72 -14.390 1.762 2.925 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.052 3.768 0.234 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.249 2.395 -0.411 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.814 2.543 -1.820 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.270 2.692 -1.801 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.024 2.615 -2.906 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.441 2.511 -4.107 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.358 2.626 -2.808 1.00 0.00 N ATOM 0 H ARG A 72 -12.080 2.464 0.628 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.263 4.560 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.999 4.306 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.366 4.368 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.298 1.864 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.925 1.795 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.365 3.410 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.544 1.670 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.731 2.862 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.424 2.490 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.014 2.452 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.802 2.693 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.932 2.567 -3.649 1.00 0.00 H new ATOM 1148 N LEU A 73 -15.583 3.676 2.893 1.00 0.00 N ATOM 1149 CA LEU A 73 -16.663 3.187 3.729 1.00 0.00 C ATOM 1150 C LEU A 73 -17.750 2.578 2.855 1.00 0.00 C ATOM 1151 O LEU A 73 -17.725 2.724 1.634 1.00 0.00 O ATOM 1152 CB LEU A 73 -17.243 4.346 4.540 1.00 0.00 C ATOM 1153 CG LEU A 73 -16.182 4.962 5.453 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -16.779 6.175 6.159 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -15.724 3.945 6.497 1.00 0.00 C ATOM 0 H LEU A 73 -15.702 4.643 2.591 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.280 2.425 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.633 5.108 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.082 3.991 5.139 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.323 5.261 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.029 6.621 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.096 6.908 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.639 5.864 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.969 4.398 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.576 3.635 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.300 3.075 5.996 1.00 0.00 H new ATOM 1167 N ARG A 74 -18.724 1.918 3.487 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.851 1.347 2.773 1.00 0.00 C ATOM 1169 C ARG A 74 -20.664 2.469 2.135 1.00 0.00 C ATOM 1170 O ARG A 74 -21.219 2.295 1.052 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.704 0.528 3.741 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.827 -0.178 2.982 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.622 -1.058 3.946 1.00 0.00 C ATOM 1174 NE ARG A 74 -23.197 -0.258 5.031 1.00 0.00 N ATOM 1175 CZ ARG A 74 -22.835 -0.371 6.314 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -21.945 -1.303 6.686 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -23.366 0.447 7.231 1.00 0.00 N ATOM 0 H ARG A 74 -18.747 1.770 4.496 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.499 0.684 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.083 -0.207 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.125 1.179 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.485 0.557 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.411 -0.785 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.418 -1.570 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.972 -1.828 4.362 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.916 0.426 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.541 -1.929 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.672 -1.385 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.045 1.155 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.091 0.363 8.210 1.00 0.00 H new ATOM 1191 N GLY A 75 -20.715 3.626 2.800 1.00 0.00 N ATOM 1192 CA GLY A 75 -21.397 4.795 2.275 1.00 0.00 C ATOM 1193 C GLY A 75 -22.821 4.886 2.812 1.00 0.00 C ATOM 1194 O GLY A 75 -23.529 5.849 2.525 1.00 0.00 O ATOM 0 H GLY A 75 -20.284 3.771 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.844 5.695 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.418 4.750 1.186 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.236 3.899 3.609 1.00 0.00 N ATOM 1199 CA GLY A 76 -24.568 3.883 4.179 1.00 0.00 C ATOM 1200 C GLY A 76 -24.730 2.671 5.079 1.00 0.00 C ATOM 1201 O GLY A 76 -25.130 1.615 4.544 1.00 0.00 O ATOM 0 H GLY A 76 -22.658 3.100 3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.740 4.796 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.313 3.859 3.384 1.00 0.00 H new TER 1205 GLY A 76