USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 626 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 74 ASN : amide:sc= -5.78! C(o=-20!,f=-12!) USER MOD Set 1.2: A 77 GLN : amide:sc= -14.1! C(o=-20!,f=-8.9!) USER MOD Single : A 0 ALA N :NH3+ -155:sc= 1.32 (180deg=-0.344!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -12.8! C(o=-13!,f=-4.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 11 MET CE :methyl -134:sc= -0.139 (180deg=-1.75) USER MOD Single : A 13 ASN : amide:sc= -15.3! C(o=-15!,f=-22!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0.53 (180deg=0.52) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -2.61! (180deg=-3.26!) USER MOD Single : A 28 THR OG1 : rot 13:sc= 0.524 USER MOD Single : A 29 ASN : amide:sc= -3.81! C(o=-3.8!,f=-2.3!) USER MOD Single : A 39 MET CE :methyl -173:sc= -3.6! (180deg=-3.93!) USER MOD Single : A 42 ASN : amide:sc= -17.8! C(o=-18!,f=-7.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.659 K(o=-0.66,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ -136:sc= -3.32! (180deg=-6.9!) USER MOD Single : A 58 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.14) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 0 1.014 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 0 1.497 1.183 0.683 1.00 0.00 C ATOM 3 C ALA A 0 1.224 1.064 2.176 1.00 0.00 C ATOM 4 O ALA A 0 0.194 1.526 2.660 1.00 0.00 O ATOM 5 CB ALA A 0 0.812 2.418 0.105 1.00 0.00 C ATOM 0 H1 ALA A 0 1.543 -0.130 -0.886 1.00 0.00 H new ATOM 0 H2 ALA A 0 1.149 -0.832 0.609 1.00 0.00 H new ATOM 0 H3 ALA A 0 0.002 0.111 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 0 2.573 1.278 0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 0 1.175 3.309 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 0 1.037 2.495 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 0 -0.266 2.334 0.242 1.00 0.00 H new ATOM 13 N SER A 1 2.153 0.441 2.905 1.00 0.00 N ATOM 14 CA SER A 1 2.008 0.265 4.336 1.00 0.00 C ATOM 15 C SER A 1 0.749 -0.537 4.634 1.00 0.00 C ATOM 16 O SER A 1 -0.341 0.023 4.729 1.00 0.00 O ATOM 17 CB SER A 1 1.950 1.632 5.012 1.00 0.00 C ATOM 18 OG SER A 1 3.252 2.029 5.380 1.00 0.00 O ATOM 0 H SER A 1 3.013 0.052 2.518 1.00 0.00 H new ATOM 0 HA SER A 1 2.865 -0.284 4.727 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.512 2.366 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.309 1.587 5.893 1.00 0.00 H new ATOM 0 HG SER A 1 3.216 2.908 5.813 1.00 0.00 H new ATOM 24 N PHE A 2 0.902 -1.855 4.781 1.00 0.00 N ATOM 25 CA PHE A 2 -0.221 -2.726 5.068 1.00 0.00 C ATOM 26 C PHE A 2 0.216 -3.839 6.009 1.00 0.00 C ATOM 27 O PHE A 2 0.848 -4.804 5.583 1.00 0.00 O ATOM 28 CB PHE A 2 -0.762 -3.302 3.762 1.00 0.00 C ATOM 29 CG PHE A 2 0.312 -3.601 2.744 1.00 0.00 C ATOM 30 CD1 PHE A 2 0.704 -2.616 1.829 1.00 0.00 C ATOM 31 CD2 PHE A 2 0.919 -4.862 2.717 1.00 0.00 C ATOM 32 CE1 PHE A 2 1.701 -2.893 0.887 1.00 0.00 C ATOM 33 CE2 PHE A 2 1.917 -5.139 1.774 1.00 0.00 C ATOM 34 CZ PHE A 2 2.308 -4.154 0.859 1.00 0.00 C ATOM 0 H PHE A 2 1.798 -2.336 4.704 1.00 0.00 H new ATOM 0 HA PHE A 2 -1.013 -2.157 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -1.311 -4.218 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.474 -2.598 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.237 -1.643 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.618 -5.621 3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 2 2.002 -2.133 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.385 -6.112 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.078 -4.367 0.132 1.00 0.00 H new ATOM 44 N ILE A 3 -0.123 -3.704 7.293 1.00 0.00 N ATOM 45 CA ILE A 3 0.232 -4.696 8.289 1.00 0.00 C ATOM 46 C ILE A 3 -1.023 -5.189 8.995 1.00 0.00 C ATOM 47 O ILE A 3 -1.992 -5.575 8.345 1.00 0.00 O ATOM 48 CB ILE A 3 1.212 -4.085 9.287 1.00 0.00 C ATOM 49 CG1 ILE A 3 1.380 -2.598 8.991 1.00 0.00 C ATOM 50 CG2 ILE A 3 2.563 -4.784 9.167 1.00 0.00 C ATOM 51 CD1 ILE A 3 0.056 -1.878 9.232 1.00 0.00 C ATOM 0 H ILE A 3 -0.646 -2.909 7.661 1.00 0.00 H new ATOM 0 HA ILE A 3 0.711 -5.548 7.806 1.00 0.00 H new ATOM 0 HB ILE A 3 0.826 -4.212 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.157 -2.175 9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.701 -2.456 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.263 -4.348 9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.443 -5.846 9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.949 -4.658 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.176 -0.815 9.021 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.709 -2.294 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.246 -2.009 10.271 1.00 0.00 H new ATOM 63 N ASP A 4 -1.004 -5.175 10.330 1.00 0.00 N ATOM 64 CA ASP A 4 -2.137 -5.621 11.115 1.00 0.00 C ATOM 65 C ASP A 4 -1.758 -5.665 12.588 1.00 0.00 C ATOM 66 O ASP A 4 -0.777 -6.305 12.959 1.00 0.00 O ATOM 67 CB ASP A 4 -2.582 -6.997 10.629 1.00 0.00 C ATOM 68 CG ASP A 4 -1.423 -7.747 9.986 1.00 0.00 C ATOM 69 OD1 ASP A 4 -0.379 -7.865 10.662 1.00 0.00 O ATOM 70 OD2 ASP A 4 -1.604 -8.188 8.830 1.00 0.00 O ATOM 0 H ASP A 4 -0.209 -4.857 10.884 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.965 -4.923 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.974 -7.574 11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.394 -6.888 9.910 1.00 0.00 H new ATOM 75 N ASN A 5 -2.539 -4.981 13.428 1.00 0.00 N ATOM 76 CA ASN A 5 -2.279 -4.948 14.853 1.00 0.00 C ATOM 77 C ASN A 5 -0.788 -4.780 15.106 1.00 0.00 C ATOM 78 O ASN A 5 -0.292 -5.128 16.175 1.00 0.00 O ATOM 79 CB ASN A 5 -2.795 -6.234 15.493 1.00 0.00 C ATOM 80 CG ASN A 5 -4.066 -6.711 14.806 1.00 0.00 C ATOM 81 OD1 ASN A 5 -5.077 -6.948 15.463 1.00 0.00 O ATOM 82 ND2 ASN A 5 -4.014 -6.850 13.479 1.00 0.00 N ATOM 0 H ASN A 5 -3.356 -4.444 13.136 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.798 -4.100 15.300 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.030 -7.008 15.430 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.991 -6.065 16.552 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.838 -7.166 12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.151 -6.641 12.978 1.00 0.00 H new ATOM 89 N THR A 6 -0.072 -4.244 14.115 1.00 0.00 N ATOM 90 CA THR A 6 1.357 -4.033 14.236 1.00 0.00 C ATOM 91 C THR A 6 1.632 -2.893 15.206 1.00 0.00 C ATOM 92 O THR A 6 2.040 -1.809 14.797 1.00 0.00 O ATOM 93 CB THR A 6 1.942 -3.725 12.861 1.00 0.00 C ATOM 94 OG1 THR A 6 3.339 -3.565 12.970 1.00 0.00 O ATOM 95 CG2 THR A 6 1.324 -2.438 12.321 1.00 0.00 C ATOM 0 H THR A 6 -0.467 -3.950 13.222 1.00 0.00 H new ATOM 0 HA THR A 6 1.829 -4.935 14.625 1.00 0.00 H new ATOM 0 HB THR A 6 1.722 -4.547 12.180 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.716 -3.369 12.087 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.742 -2.218 11.339 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.244 -2.560 12.237 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.544 -1.615 13.001 1.00 0.00 H new ATOM 103 N CYS A 7 1.407 -3.143 16.498 1.00 0.00 N ATOM 104 CA CYS A 7 1.630 -2.142 17.522 1.00 0.00 C ATOM 105 C CYS A 7 3.083 -2.183 17.973 1.00 0.00 C ATOM 106 O CYS A 7 3.860 -3.009 17.499 1.00 0.00 O ATOM 107 CB CYS A 7 0.691 -2.398 18.697 1.00 0.00 C ATOM 108 SG CYS A 7 -1.049 -2.055 18.337 1.00 0.00 S ATOM 0 H CYS A 7 1.069 -4.038 16.853 1.00 0.00 H new ATOM 0 HA CYS A 7 1.422 -1.151 17.119 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.789 -3.438 19.007 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.005 -1.783 19.540 1.00 0.00 H new ATOM 113 N ARG A 8 3.450 -1.287 18.893 1.00 0.00 N ATOM 114 CA ARG A 8 4.805 -1.224 19.401 1.00 0.00 C ATOM 115 C ARG A 8 4.846 -0.362 20.655 1.00 0.00 C ATOM 116 O ARG A 8 5.844 -0.350 21.372 1.00 0.00 O ATOM 117 CB ARG A 8 5.726 -0.657 18.325 1.00 0.00 C ATOM 118 CG ARG A 8 6.756 -1.710 17.930 1.00 0.00 C ATOM 119 CD ARG A 8 7.860 -1.763 18.982 1.00 0.00 C ATOM 120 NE ARG A 8 9.100 -2.294 18.416 1.00 0.00 N ATOM 121 CZ ARG A 8 9.730 -3.363 18.923 1.00 0.00 C ATOM 122 NH1 ARG A 8 9.225 -3.993 19.992 1.00 0.00 N ATOM 123 NH2 ARG A 8 10.864 -3.802 18.360 1.00 0.00 N ATOM 0 H ARG A 8 2.818 -0.596 19.297 1.00 0.00 H new ATOM 0 HA ARG A 8 5.146 -2.226 19.661 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.144 -0.358 17.454 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.228 0.237 18.695 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.278 -2.685 17.840 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.180 -1.471 16.955 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.036 -0.763 19.379 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.541 -2.387 19.817 1.00 0.00 H new ATOM 0 HE ARG A 8 9.502 -1.831 17.601 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.361 -3.659 20.420 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.704 -4.807 20.378 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.248 -3.323 17.546 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.343 -4.615 18.746 1.00 0.00 H new ATOM 137 N GLY A 9 3.756 0.363 20.918 1.00 0.00 N ATOM 138 CA GLY A 9 3.676 1.222 22.083 1.00 0.00 C ATOM 139 C GLY A 9 2.530 0.784 22.984 1.00 0.00 C ATOM 140 O GLY A 9 2.452 1.196 24.139 1.00 0.00 O ATOM 0 H GLY A 9 2.920 0.366 20.334 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.615 1.187 22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.528 2.256 21.772 1.00 0.00 H new ATOM 144 N VAL A 10 1.639 -0.056 22.451 1.00 0.00 N ATOM 145 CA VAL A 10 0.503 -0.546 23.205 1.00 0.00 C ATOM 146 C VAL A 10 0.942 -0.918 24.614 1.00 0.00 C ATOM 147 O VAL A 10 0.339 -0.481 25.591 1.00 0.00 O ATOM 148 CB VAL A 10 -0.099 -1.751 22.489 1.00 0.00 C ATOM 149 CG1 VAL A 10 -0.852 -2.617 23.496 1.00 0.00 C ATOM 150 CG2 VAL A 10 -1.064 -1.271 21.409 1.00 0.00 C ATOM 0 H VAL A 10 1.691 -0.407 21.495 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.256 0.233 23.277 1.00 0.00 H new ATOM 0 HB VAL A 10 0.698 -2.337 22.030 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.282 -3.478 22.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.163 -2.960 24.268 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.649 -2.032 23.955 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.494 -2.132 20.897 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.861 -0.685 21.867 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.527 -0.652 20.690 1.00 0.00 H new ATOM 160 N MET A 11 1.998 -1.729 24.717 1.00 0.00 N ATOM 161 CA MET A 11 2.510 -2.155 26.004 1.00 0.00 C ATOM 162 C MET A 11 2.614 -0.960 26.941 1.00 0.00 C ATOM 163 O MET A 11 2.514 -1.108 28.157 1.00 0.00 O ATOM 164 CB MET A 11 3.873 -2.813 25.816 1.00 0.00 C ATOM 165 CG MET A 11 4.867 -1.784 25.286 1.00 0.00 C ATOM 166 SD MET A 11 6.140 -1.308 26.481 1.00 0.00 S ATOM 167 CE MET A 11 6.218 0.466 26.130 1.00 0.00 C ATOM 0 H MET A 11 2.510 -2.100 23.917 1.00 0.00 H new ATOM 0 HA MET A 11 1.828 -2.881 26.447 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.226 -3.220 26.764 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.792 -3.648 25.120 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.351 -2.186 24.396 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.321 -0.892 24.977 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.260 0.776 26.052 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.706 0.674 25.191 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.735 1.018 26.936 1.00 0.00 H new ATOM 177 N GLY A 12 2.816 0.230 26.371 1.00 0.00 N ATOM 178 CA GLY A 12 2.932 1.441 27.158 1.00 0.00 C ATOM 179 C GLY A 12 1.563 2.080 27.349 1.00 0.00 C ATOM 180 O GLY A 12 1.144 2.335 28.475 1.00 0.00 O ATOM 0 H GLY A 12 2.902 0.372 25.365 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.372 1.211 28.128 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.602 2.143 26.662 1.00 0.00 H new ATOM 184 N ASN A 13 0.866 2.338 26.240 1.00 0.00 N ATOM 185 CA ASN A 13 -0.449 2.944 26.289 1.00 0.00 C ATOM 186 C ASN A 13 -1.273 2.305 27.399 1.00 0.00 C ATOM 187 O ASN A 13 -1.417 2.877 28.477 1.00 0.00 O ATOM 188 CB ASN A 13 -1.138 2.772 24.938 1.00 0.00 C ATOM 189 CG ASN A 13 -0.205 3.161 23.800 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.296 2.297 23.084 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.025 4.465 23.634 1.00 0.00 N ATOM 0 H ASN A 13 1.199 2.133 25.298 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.354 4.009 26.502 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.455 1.736 24.816 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.037 3.387 24.903 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.641 4.783 22.886 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.415 5.144 24.255 1.00 0.00 H new ATOM 198 N ARG A 14 -1.814 1.115 27.130 1.00 0.00 N ATOM 199 CA ARG A 14 -2.620 0.404 28.103 1.00 0.00 C ATOM 200 C ARG A 14 -3.892 1.188 28.390 1.00 0.00 C ATOM 201 O ARG A 14 -4.613 0.882 29.337 1.00 0.00 O ATOM 202 CB ARG A 14 -1.811 0.200 29.380 1.00 0.00 C ATOM 203 CG ARG A 14 -1.246 -1.217 29.404 1.00 0.00 C ATOM 204 CD ARG A 14 -0.080 -1.284 30.386 1.00 0.00 C ATOM 205 NE ARG A 14 -0.390 -2.167 31.511 1.00 0.00 N ATOM 206 CZ ARG A 14 0.518 -2.516 32.431 1.00 0.00 C ATOM 207 NH1 ARG A 14 1.772 -2.052 32.345 1.00 0.00 N ATOM 208 NH2 ARG A 14 0.173 -3.330 33.439 1.00 0.00 N ATOM 0 H ARG A 14 -1.703 0.628 26.240 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.900 -0.572 27.706 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.000 0.927 29.430 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.442 0.366 30.253 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.022 -1.924 29.696 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.912 -1.504 28.407 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.812 -1.643 29.873 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.146 -0.284 30.756 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.338 -2.532 31.598 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.035 -1.433 31.578 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.463 -2.318 33.046 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.781 -3.684 33.505 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.865 -3.596 34.140 1.00 0.00 H new ATOM 222 N ASP A 15 -4.167 2.204 27.568 1.00 0.00 N ATOM 223 CA ASP A 15 -5.349 3.026 27.737 1.00 0.00 C ATOM 224 C ASP A 15 -6.026 3.238 26.391 1.00 0.00 C ATOM 225 O ASP A 15 -7.202 2.920 26.229 1.00 0.00 O ATOM 226 CB ASP A 15 -4.953 4.361 28.360 1.00 0.00 C ATOM 227 CG ASP A 15 -4.426 4.167 29.775 1.00 0.00 C ATOM 228 OD1 ASP A 15 -5.260 3.859 30.654 1.00 0.00 O ATOM 229 OD2 ASP A 15 -3.199 4.329 29.951 1.00 0.00 O ATOM 0 H ASP A 15 -3.579 2.471 26.778 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.054 2.525 28.400 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.190 4.841 27.747 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.815 5.028 28.377 1.00 0.00 H new ATOM 234 N ILE A 16 -5.280 3.777 25.424 1.00 0.00 N ATOM 235 CA ILE A 16 -5.809 4.028 24.098 1.00 0.00 C ATOM 236 C ILE A 16 -6.422 2.752 23.538 1.00 0.00 C ATOM 237 O ILE A 16 -7.371 2.807 22.760 1.00 0.00 O ATOM 238 CB ILE A 16 -4.689 4.533 23.192 1.00 0.00 C ATOM 239 CG1 ILE A 16 -3.823 5.528 23.959 1.00 0.00 C ATOM 240 CG2 ILE A 16 -5.295 5.221 21.971 1.00 0.00 C ATOM 241 CD1 ILE A 16 -2.768 6.110 23.023 1.00 0.00 C ATOM 0 H ILE A 16 -4.304 4.046 25.544 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.587 4.789 24.150 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.076 3.692 22.869 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.442 6.326 24.368 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.343 5.033 24.803 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.496 5.582 21.323 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.914 4.511 21.423 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.908 6.062 22.294 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.149 6.821 23.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.142 5.306 22.636 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.259 6.619 22.194 1.00 0.00 H new ATOM 253 N TYR A 17 -5.877 1.600 23.937 1.00 0.00 N ATOM 254 CA TYR A 17 -6.373 0.320 23.473 1.00 0.00 C ATOM 255 C TYR A 17 -7.787 0.096 23.989 1.00 0.00 C ATOM 256 O TYR A 17 -8.739 0.079 23.211 1.00 0.00 O ATOM 257 CB TYR A 17 -5.441 -0.789 23.952 1.00 0.00 C ATOM 258 CG TYR A 17 -5.618 -2.090 23.206 1.00 0.00 C ATOM 259 CD1 TYR A 17 -6.833 -2.782 23.286 1.00 0.00 C ATOM 260 CD2 TYR A 17 -4.569 -2.604 22.435 1.00 0.00 C ATOM 261 CE1 TYR A 17 -6.998 -3.988 22.594 1.00 0.00 C ATOM 262 CE2 TYR A 17 -4.734 -3.810 21.743 1.00 0.00 C ATOM 263 CZ TYR A 17 -5.948 -4.502 21.823 1.00 0.00 C ATOM 264 OH TYR A 17 -6.110 -5.677 21.149 1.00 0.00 O ATOM 0 H TYR A 17 -5.090 1.537 24.583 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.400 0.310 22.383 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.409 -0.456 23.846 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.612 -0.963 25.014 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.642 -2.386 23.881 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.632 -2.070 22.374 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.935 -4.522 22.655 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.925 -4.206 21.148 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.287 -5.891 20.662 1.00 0.00 H new ATOM 274 N LYS A 18 -7.923 -0.076 25.306 1.00 0.00 N ATOM 275 CA LYS A 18 -9.218 -0.298 25.917 1.00 0.00 C ATOM 276 C LYS A 18 -10.259 0.602 25.265 1.00 0.00 C ATOM 277 O LYS A 18 -11.327 0.139 24.872 1.00 0.00 O ATOM 278 CB LYS A 18 -9.127 -0.021 27.415 1.00 0.00 C ATOM 279 CG LYS A 18 -8.288 -1.107 28.081 1.00 0.00 C ATOM 280 CD LYS A 18 -7.027 -0.485 28.675 1.00 0.00 C ATOM 281 CE LYS A 18 -6.653 -1.218 29.960 1.00 0.00 C ATOM 282 NZ LYS A 18 -6.534 -0.281 31.087 1.00 0.00 N ATOM 0 H LYS A 18 -7.144 -0.064 25.964 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.520 -1.335 25.769 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.679 0.958 27.589 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.125 0.003 27.853 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.866 -1.600 28.863 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.020 -1.872 27.353 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.208 -0.544 27.959 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.193 0.572 28.882 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.408 -1.970 30.186 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.710 -1.746 29.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.229 -0.797 31.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.833 0.452 30.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.456 0.166 31.265 1.00 0.00 H new ATOM 296 N LYS A 19 -9.944 1.895 25.152 1.00 0.00 N ATOM 297 CA LYS A 19 -10.851 2.851 24.550 1.00 0.00 C ATOM 298 C LYS A 19 -11.114 2.473 23.099 1.00 0.00 C ATOM 299 O LYS A 19 -12.249 2.180 22.727 1.00 0.00 O ATOM 300 CB LYS A 19 -10.248 4.250 24.643 1.00 0.00 C ATOM 301 CG LYS A 19 -11.157 5.244 23.925 1.00 0.00 C ATOM 302 CD LYS A 19 -10.338 6.450 23.474 1.00 0.00 C ATOM 303 CE LYS A 19 -9.158 5.977 22.630 1.00 0.00 C ATOM 304 NZ LYS A 19 -8.982 6.828 21.443 1.00 0.00 N ATOM 0 H LYS A 19 -9.063 2.296 25.473 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.801 2.842 25.084 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.130 4.538 25.688 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.254 4.260 24.195 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.626 4.768 23.064 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.960 5.564 24.589 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.962 7.131 22.896 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.979 7.004 24.341 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.248 5.992 23.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.319 4.944 22.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.368 6.344 20.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.908 7.013 21.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.545 7.729 21.724 1.00 0.00 H new ATOM 318 N VAL A 20 -10.061 2.481 22.279 1.00 0.00 N ATOM 319 CA VAL A 20 -10.181 2.140 20.876 1.00 0.00 C ATOM 320 C VAL A 20 -11.120 0.953 20.713 1.00 0.00 C ATOM 321 O VAL A 20 -12.218 1.097 20.179 1.00 0.00 O ATOM 322 CB VAL A 20 -8.801 1.819 20.311 1.00 0.00 C ATOM 323 CG1 VAL A 20 -8.950 1.181 18.933 1.00 0.00 C ATOM 324 CG2 VAL A 20 -7.989 3.105 20.191 1.00 0.00 C ATOM 0 H VAL A 20 -9.115 2.722 22.573 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.596 2.985 20.327 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.288 1.126 20.978 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.964 0.952 18.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.530 0.262 19.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.463 1.873 18.265 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.003 2.876 19.787 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.502 3.798 19.525 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.881 3.561 21.175 1.00 0.00 H new ATOM 334 N VAL A 21 -10.687 -0.221 21.176 1.00 0.00 N ATOM 335 CA VAL A 21 -11.488 -1.425 21.080 1.00 0.00 C ATOM 336 C VAL A 21 -12.927 -1.117 21.470 1.00 0.00 C ATOM 337 O VAL A 21 -13.856 -1.745 20.968 1.00 0.00 O ATOM 338 CB VAL A 21 -10.900 -2.501 21.988 1.00 0.00 C ATOM 339 CG1 VAL A 21 -11.079 -2.090 23.446 1.00 0.00 C ATOM 340 CG2 VAL A 21 -11.619 -3.824 21.739 1.00 0.00 C ATOM 0 H VAL A 21 -9.780 -0.355 21.622 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.480 -1.792 20.054 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.838 -2.619 21.773 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.659 -2.859 24.095 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.565 -1.145 23.623 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.141 -1.972 23.663 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.200 -4.594 22.387 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.681 -3.707 21.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.490 -4.118 20.697 1.00 0.00 H new ATOM 350 N ARG A 22 -13.109 -0.146 22.369 1.00 0.00 N ATOM 351 CA ARG A 22 -14.430 0.239 22.821 1.00 0.00 C ATOM 352 C ARG A 22 -15.150 1.005 21.721 1.00 0.00 C ATOM 353 O ARG A 22 -16.368 0.908 21.588 1.00 0.00 O ATOM 354 CB ARG A 22 -14.307 1.091 24.081 1.00 0.00 C ATOM 355 CG ARG A 22 -15.565 0.929 24.930 1.00 0.00 C ATOM 356 CD ARG A 22 -15.494 -0.387 25.699 1.00 0.00 C ATOM 357 NE ARG A 22 -16.515 -0.440 26.745 1.00 0.00 N ATOM 358 CZ ARG A 22 -16.423 0.259 27.885 1.00 0.00 C ATOM 359 NH1 ARG A 22 -15.362 1.049 28.103 1.00 0.00 N ATOM 360 NH2 ARG A 22 -17.391 0.168 28.807 1.00 0.00 N ATOM 0 H ARG A 22 -12.349 0.384 22.794 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.012 -0.652 23.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.429 0.790 24.652 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.169 2.138 23.813 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.658 1.764 25.625 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.450 0.944 24.294 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.630 -1.222 25.011 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.506 -0.499 26.145 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.332 -1.034 26.601 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.625 1.118 27.401 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.292 1.581 28.970 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.198 -0.433 28.641 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.321 0.700 29.674 1.00 0.00 H new ATOM 374 N VAL A 23 -14.392 1.768 20.930 1.00 0.00 N ATOM 375 CA VAL A 23 -14.958 2.546 19.846 1.00 0.00 C ATOM 376 C VAL A 23 -15.300 1.630 18.679 1.00 0.00 C ATOM 377 O VAL A 23 -16.106 1.987 17.823 1.00 0.00 O ATOM 378 CB VAL A 23 -13.963 3.620 19.417 1.00 0.00 C ATOM 379 CG1 VAL A 23 -13.241 3.169 18.151 1.00 0.00 C ATOM 380 CG2 VAL A 23 -14.708 4.923 19.141 1.00 0.00 C ATOM 0 H VAL A 23 -13.381 1.858 21.028 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.874 3.032 20.182 1.00 0.00 H new ATOM 0 HB VAL A 23 -13.235 3.779 20.213 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.530 3.936 17.845 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.708 2.239 18.348 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.968 3.009 17.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.997 5.691 18.834 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.436 4.764 18.346 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.223 5.246 20.046 1.00 0.00 H new ATOM 390 N CYS A 24 -14.684 0.446 18.647 1.00 0.00 N ATOM 391 CA CYS A 24 -14.925 -0.513 17.588 1.00 0.00 C ATOM 392 C CYS A 24 -16.235 -1.245 17.845 1.00 0.00 C ATOM 393 O CYS A 24 -17.049 -1.402 16.938 1.00 0.00 O ATOM 394 CB CYS A 24 -13.760 -1.497 17.520 1.00 0.00 C ATOM 395 SG CYS A 24 -12.134 -0.707 17.436 1.00 0.00 S ATOM 0 H CYS A 24 -14.013 0.136 19.350 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.002 0.005 16.632 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.793 -2.145 18.396 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -13.888 -2.136 16.646 1.00 0.00 H new ATOM 400 N GLU A 25 -16.437 -1.693 19.087 1.00 0.00 N ATOM 401 CA GLU A 25 -17.645 -2.403 19.453 1.00 0.00 C ATOM 402 C GLU A 25 -18.857 -1.503 19.258 1.00 0.00 C ATOM 403 O GLU A 25 -19.939 -1.976 18.919 1.00 0.00 O ATOM 404 CB GLU A 25 -17.543 -2.864 20.905 1.00 0.00 C ATOM 405 CG GLU A 25 -17.714 -1.664 21.832 1.00 0.00 C ATOM 406 CD GLU A 25 -19.020 -1.758 22.606 1.00 0.00 C ATOM 407 OE1 GLU A 25 -20.064 -1.433 22.000 1.00 0.00 O ATOM 408 OE2 GLU A 25 -18.952 -2.153 23.791 1.00 0.00 O ATOM 0 H GLU A 25 -15.772 -1.571 19.851 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.762 -3.278 18.813 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.308 -3.612 21.115 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.577 -3.338 21.080 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.877 -1.615 22.528 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.698 -0.743 21.249 1.00 0.00 H new ATOM 415 N ASP A 26 -18.671 -0.198 19.472 1.00 0.00 N ATOM 416 CA ASP A 26 -19.746 0.762 19.319 1.00 0.00 C ATOM 417 C ASP A 26 -20.171 0.831 17.859 1.00 0.00 C ATOM 418 O ASP A 26 -21.338 0.616 17.540 1.00 0.00 O ATOM 419 CB ASP A 26 -19.279 2.129 19.812 1.00 0.00 C ATOM 420 CG ASP A 26 -20.466 3.021 20.145 1.00 0.00 C ATOM 421 OD1 ASP A 26 -21.516 2.453 20.517 1.00 0.00 O ATOM 422 OD2 ASP A 26 -20.302 4.254 20.022 1.00 0.00 O ATOM 0 H ASP A 26 -17.779 0.211 19.752 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.606 0.450 19.912 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -18.652 2.007 20.695 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.664 2.605 19.048 1.00 0.00 H new ATOM 427 N CYS A 27 -19.220 1.132 16.972 1.00 0.00 N ATOM 428 CA CYS A 27 -19.499 1.228 15.553 1.00 0.00 C ATOM 429 C CYS A 27 -20.001 -0.113 15.036 1.00 0.00 C ATOM 430 O CYS A 27 -21.113 -0.205 14.520 1.00 0.00 O ATOM 431 CB CYS A 27 -18.234 1.654 14.814 1.00 0.00 C ATOM 432 SG CYS A 27 -16.928 0.401 14.808 1.00 0.00 S ATOM 0 H CYS A 27 -18.248 1.313 17.222 1.00 0.00 H new ATOM 0 HA CYS A 27 -20.273 1.975 15.379 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -18.493 1.900 13.784 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -17.848 2.565 15.271 1.00 0.00 H new ATOM 437 N THR A 28 -19.177 -1.154 15.174 1.00 0.00 N ATOM 438 CA THR A 28 -19.544 -2.480 14.721 1.00 0.00 C ATOM 439 C THR A 28 -20.971 -2.797 15.144 1.00 0.00 C ATOM 440 O THR A 28 -21.653 -3.589 14.498 1.00 0.00 O ATOM 441 CB THR A 28 -18.569 -3.502 15.298 1.00 0.00 C ATOM 442 OG1 THR A 28 -18.687 -4.716 14.592 1.00 0.00 O ATOM 443 CG2 THR A 28 -18.891 -3.737 16.771 1.00 0.00 C ATOM 0 H THR A 28 -18.251 -1.095 15.598 1.00 0.00 H new ATOM 0 HA THR A 28 -19.493 -2.522 13.633 1.00 0.00 H new ATOM 0 HB THR A 28 -17.551 -3.125 15.204 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.202 -4.568 13.771 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.195 -4.467 17.184 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.799 -2.799 17.318 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.910 -4.114 16.865 1.00 0.00 H new ATOM 451 N ASN A 29 -21.421 -2.174 16.236 1.00 0.00 N ATOM 452 CA ASN A 29 -22.762 -2.391 16.740 1.00 0.00 C ATOM 453 C ASN A 29 -23.760 -1.579 15.926 1.00 0.00 C ATOM 454 O ASN A 29 -24.864 -2.041 15.650 1.00 0.00 O ATOM 455 CB ASN A 29 -22.819 -1.998 18.213 1.00 0.00 C ATOM 456 CG ASN A 29 -24.108 -1.252 18.527 1.00 0.00 C ATOM 457 OD1 ASN A 29 -25.134 -1.870 18.801 1.00 0.00 O ATOM 458 ND2 ASN A 29 -24.053 0.081 18.487 1.00 0.00 N ATOM 0 H ASN A 29 -20.868 -1.515 16.783 1.00 0.00 H new ATOM 0 HA ASN A 29 -23.023 -3.445 16.647 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -22.750 -2.891 18.835 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -21.962 -1.371 18.460 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -24.887 0.632 18.689 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -23.177 0.549 18.254 1.00 0.00 H new ATOM 465 N ILE A 30 -23.366 -0.362 15.542 1.00 0.00 N ATOM 466 CA ILE A 30 -24.221 0.510 14.761 1.00 0.00 C ATOM 467 C ILE A 30 -24.732 -0.234 13.535 1.00 0.00 C ATOM 468 O ILE A 30 -25.934 -0.270 13.285 1.00 0.00 O ATOM 469 CB ILE A 30 -23.440 1.756 14.354 1.00 0.00 C ATOM 470 CG1 ILE A 30 -23.677 2.863 15.377 1.00 0.00 C ATOM 471 CG2 ILE A 30 -23.910 2.223 12.980 1.00 0.00 C ATOM 472 CD1 ILE A 30 -23.268 2.371 16.762 1.00 0.00 C ATOM 0 H ILE A 30 -22.454 0.036 15.765 1.00 0.00 H new ATOM 0 HA ILE A 30 -25.079 0.817 15.359 1.00 0.00 H new ATOM 0 HB ILE A 30 -22.376 1.521 14.314 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -23.102 3.749 15.110 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -24.728 3.153 15.378 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -23.353 3.113 12.688 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -23.740 1.432 12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -24.974 2.458 13.020 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -23.437 3.161 17.493 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -23.863 1.497 17.028 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -22.212 2.103 16.755 1.00 0.00 H new ATOM 484 N PHE A 31 -23.813 -0.828 12.769 1.00 0.00 N ATOM 485 CA PHE A 31 -24.177 -1.565 11.576 1.00 0.00 C ATOM 486 C PHE A 31 -24.425 -3.025 11.926 1.00 0.00 C ATOM 487 O PHE A 31 -25.059 -3.750 11.163 1.00 0.00 O ATOM 488 CB PHE A 31 -23.061 -1.438 10.542 1.00 0.00 C ATOM 489 CG PHE A 31 -23.100 -0.142 9.769 1.00 0.00 C ATOM 490 CD1 PHE A 31 -24.233 0.191 9.017 1.00 0.00 C ATOM 491 CD2 PHE A 31 -22.003 0.727 9.802 1.00 0.00 C ATOM 492 CE1 PHE A 31 -24.269 1.392 8.298 1.00 0.00 C ATOM 493 CE2 PHE A 31 -22.038 1.928 9.084 1.00 0.00 C ATOM 494 CZ PHE A 31 -23.171 2.260 8.332 1.00 0.00 C ATOM 0 H PHE A 31 -22.812 -0.807 12.962 1.00 0.00 H new ATOM 0 HA PHE A 31 -25.094 -1.153 11.155 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.098 -1.522 11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.128 -2.271 9.842 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -25.080 -0.479 8.991 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -21.129 0.470 10.382 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -25.143 1.649 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -21.191 2.598 9.110 1.00 0.00 H new ATOM 0 HZ PHE A 31 -23.198 3.186 7.778 1.00 0.00 H new ATOM 504 N ARG A 32 -23.923 -3.455 13.086 1.00 0.00 N ATOM 505 CA ARG A 32 -24.091 -4.824 13.531 1.00 0.00 C ATOM 506 C ARG A 32 -23.330 -5.764 12.607 1.00 0.00 C ATOM 507 O ARG A 32 -23.683 -6.934 12.480 1.00 0.00 O ATOM 508 CB ARG A 32 -25.576 -5.173 13.552 1.00 0.00 C ATOM 509 CG ARG A 32 -26.092 -5.116 14.987 1.00 0.00 C ATOM 510 CD ARG A 32 -26.758 -6.442 15.342 1.00 0.00 C ATOM 511 NE ARG A 32 -26.631 -6.728 16.771 1.00 0.00 N ATOM 512 CZ ARG A 32 -27.511 -7.485 17.440 1.00 0.00 C ATOM 513 NH1 ARG A 32 -28.561 -8.017 16.800 1.00 0.00 N ATOM 514 NH2 ARG A 32 -27.341 -7.710 18.750 1.00 0.00 N ATOM 0 H ARG A 32 -23.396 -2.866 13.730 1.00 0.00 H new ATOM 0 HA ARG A 32 -23.691 -4.934 14.539 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -26.133 -4.476 12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.732 -6.169 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -25.269 -4.915 15.673 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -26.805 -4.298 15.096 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -27.812 -6.408 15.067 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -26.303 -7.247 14.765 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.839 -6.335 17.279 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -28.691 -7.846 15.803 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -29.231 -8.593 17.310 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -26.542 -7.305 19.238 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.011 -8.286 19.260 1.00 0.00 H new ATOM 528 N LEU A 33 -22.281 -5.248 11.960 1.00 0.00 N ATOM 529 CA LEU A 33 -21.476 -6.041 11.053 1.00 0.00 C ATOM 530 C LEU A 33 -20.317 -6.673 11.809 1.00 0.00 C ATOM 531 O LEU A 33 -19.602 -5.990 12.540 1.00 0.00 O ATOM 532 CB LEU A 33 -20.964 -5.155 9.921 1.00 0.00 C ATOM 533 CG LEU A 33 -22.148 -4.595 9.138 1.00 0.00 C ATOM 534 CD1 LEU A 33 -21.657 -3.524 8.169 1.00 0.00 C ATOM 535 CD2 LEU A 33 -22.819 -5.721 8.356 1.00 0.00 C ATOM 0 H LEU A 33 -21.976 -4.279 12.054 1.00 0.00 H new ATOM 0 HA LEU A 33 -22.083 -6.839 10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -20.364 -4.340 10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.316 -5.730 9.259 1.00 0.00 H new ATOM 0 HG LEU A 33 -22.866 -4.156 9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -22.503 -3.124 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.178 -2.720 8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.938 -3.962 7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -23.665 -5.322 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -22.101 -6.161 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -23.171 -6.486 9.049 1.00 0.00 H new ATOM 547 N PRO A 34 -20.131 -7.984 11.632 1.00 0.00 N ATOM 548 CA PRO A 34 -19.081 -8.752 12.266 1.00 0.00 C ATOM 549 C PRO A 34 -17.741 -8.404 11.633 1.00 0.00 C ATOM 550 O PRO A 34 -16.711 -8.422 12.304 1.00 0.00 O ATOM 551 CB PRO A 34 -19.449 -10.210 12.003 1.00 0.00 C ATOM 552 CG PRO A 34 -20.190 -10.136 10.669 1.00 0.00 C ATOM 553 CD PRO A 34 -20.952 -8.817 10.781 1.00 0.00 C ATOM 0 HA PRO A 34 -18.991 -8.548 13.333 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -18.566 -10.845 11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.079 -10.617 12.794 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.502 -10.136 9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.863 -10.982 10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -21.097 -8.360 9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -21.942 -8.968 11.212 1.00 0.00 H new ATOM 561 N GLY A 35 -17.756 -8.088 10.336 1.00 0.00 N ATOM 562 CA GLY A 35 -16.542 -7.741 9.624 1.00 0.00 C ATOM 563 C GLY A 35 -16.344 -6.232 9.624 1.00 0.00 C ATOM 564 O GLY A 35 -16.349 -5.601 8.570 1.00 0.00 O ATOM 0 H GLY A 35 -18.600 -8.068 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.686 -8.227 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.596 -8.108 8.599 1.00 0.00 H new ATOM 568 N LEU A 36 -16.168 -5.654 10.815 1.00 0.00 N ATOM 569 CA LEU A 36 -15.969 -4.224 10.949 1.00 0.00 C ATOM 570 C LEU A 36 -15.180 -3.930 12.217 1.00 0.00 C ATOM 571 O LEU A 36 -14.149 -3.263 12.170 1.00 0.00 O ATOM 572 CB LEU A 36 -17.324 -3.523 10.981 1.00 0.00 C ATOM 573 CG LEU A 36 -17.136 -2.040 10.675 1.00 0.00 C ATOM 574 CD1 LEU A 36 -17.214 -1.818 9.167 1.00 0.00 C ATOM 575 CD2 LEU A 36 -18.234 -1.235 11.365 1.00 0.00 C ATOM 0 H LEU A 36 -16.161 -6.164 11.698 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.402 -3.851 10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -17.996 -3.974 10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -17.787 -3.648 11.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -16.162 -1.714 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.080 -0.759 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.430 -2.393 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.188 -2.144 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -18.100 -0.175 11.147 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -19.208 -1.561 11.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -18.179 -1.393 12.442 1.00 0.00 H new ATOM 587 N ASP A 37 -15.669 -4.430 13.355 1.00 0.00 N ATOM 588 CA ASP A 37 -15.010 -4.218 14.628 1.00 0.00 C ATOM 589 C ASP A 37 -13.511 -4.434 14.474 1.00 0.00 C ATOM 590 O ASP A 37 -12.718 -3.554 14.803 1.00 0.00 O ATOM 591 CB ASP A 37 -15.590 -5.175 15.665 1.00 0.00 C ATOM 592 CG ASP A 37 -15.558 -6.610 15.159 1.00 0.00 C ATOM 593 OD1 ASP A 37 -16.548 -7.003 14.504 1.00 0.00 O ATOM 594 OD2 ASP A 37 -14.545 -7.288 15.436 1.00 0.00 O ATOM 0 H ASP A 37 -16.523 -4.985 13.411 1.00 0.00 H new ATOM 0 HA ASP A 37 -15.177 -3.194 14.963 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.022 -5.100 16.593 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.616 -4.889 15.895 1.00 0.00 H new ATOM 599 N GLY A 38 -13.123 -5.608 13.971 1.00 0.00 N ATOM 600 CA GLY A 38 -11.723 -5.928 13.778 1.00 0.00 C ATOM 601 C GLY A 38 -10.997 -4.755 13.134 1.00 0.00 C ATOM 602 O GLY A 38 -10.097 -4.170 13.733 1.00 0.00 O ATOM 0 H GLY A 38 -13.767 -6.348 13.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.262 -6.168 14.736 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.629 -6.813 13.149 1.00 0.00 H new ATOM 606 N MET A 39 -11.393 -4.411 11.906 1.00 0.00 N ATOM 607 CA MET A 39 -10.779 -3.314 11.186 1.00 0.00 C ATOM 608 C MET A 39 -10.545 -2.142 12.129 1.00 0.00 C ATOM 609 O MET A 39 -9.412 -1.702 12.310 1.00 0.00 O ATOM 610 CB MET A 39 -11.679 -2.901 10.025 1.00 0.00 C ATOM 611 CG MET A 39 -11.347 -3.745 8.799 1.00 0.00 C ATOM 612 SD MET A 39 -12.355 -3.359 7.346 1.00 0.00 S ATOM 613 CE MET A 39 -13.951 -3.105 8.160 1.00 0.00 C ATOM 0 H MET A 39 -12.139 -4.884 11.396 1.00 0.00 H new ATOM 0 HA MET A 39 -9.815 -3.631 10.788 1.00 0.00 H new ATOM 0 HB2 MET A 39 -12.726 -3.033 10.298 1.00 0.00 H new ATOM 0 HB3 MET A 39 -11.539 -1.844 9.801 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.296 -3.604 8.547 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.477 -4.798 9.049 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.728 -2.979 7.406 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.185 -3.970 8.780 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.903 -2.213 8.785 1.00 0.00 H new ATOM 623 N CYS A 40 -11.625 -1.637 12.732 1.00 0.00 N ATOM 624 CA CYS A 40 -11.535 -0.521 13.652 1.00 0.00 C ATOM 625 C CYS A 40 -10.306 -0.680 14.535 1.00 0.00 C ATOM 626 O CYS A 40 -9.619 0.297 14.827 1.00 0.00 O ATOM 627 CB CYS A 40 -12.804 -0.458 14.498 1.00 0.00 C ATOM 628 SG CYS A 40 -12.724 0.737 15.855 1.00 0.00 S ATOM 0 H CYS A 40 -12.571 -1.991 12.593 1.00 0.00 H new ATOM 0 HA CYS A 40 -11.439 0.410 13.094 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.646 -0.205 13.854 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.004 -1.447 14.910 1.00 0.00 H new ATOM 633 N ARG A 41 -10.029 -1.915 14.960 1.00 0.00 N ATOM 634 CA ARG A 41 -8.887 -2.194 15.807 1.00 0.00 C ATOM 635 C ARG A 41 -8.049 -3.305 15.192 1.00 0.00 C ATOM 636 O ARG A 41 -7.603 -4.211 15.893 1.00 0.00 O ATOM 637 CB ARG A 41 -9.372 -2.591 17.198 1.00 0.00 C ATOM 638 CG ARG A 41 -10.724 -3.290 17.086 1.00 0.00 C ATOM 639 CD ARG A 41 -10.512 -4.744 16.674 1.00 0.00 C ATOM 640 NE ARG A 41 -10.266 -5.590 17.843 1.00 0.00 N ATOM 641 CZ ARG A 41 -10.847 -6.786 18.008 1.00 0.00 C ATOM 642 NH1 ARG A 41 -11.693 -7.254 17.080 1.00 0.00 N ATOM 643 NH2 ARG A 41 -10.583 -7.515 19.101 1.00 0.00 N ATOM 0 H ARG A 41 -10.588 -2.735 14.725 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.266 -1.302 15.893 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.647 -3.252 17.672 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.459 -1.707 17.830 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.249 -3.244 18.040 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.349 -2.780 16.353 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.389 -5.105 16.137 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.668 -4.812 15.987 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.625 -5.255 18.562 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.895 -6.700 16.248 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.135 -8.165 17.206 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.939 -7.159 19.808 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.026 -8.425 19.226 1.00 0.00 H new ATOM 657 N ASN A 42 -7.835 -3.234 13.876 1.00 0.00 N ATOM 658 CA ASN A 42 -7.051 -4.232 13.175 1.00 0.00 C ATOM 659 C ASN A 42 -5.585 -3.825 13.162 1.00 0.00 C ATOM 660 O ASN A 42 -4.834 -4.166 14.073 1.00 0.00 O ATOM 661 CB ASN A 42 -7.582 -4.387 11.753 1.00 0.00 C ATOM 662 CG ASN A 42 -6.744 -5.384 10.966 1.00 0.00 C ATOM 663 OD1 ASN A 42 -7.285 -6.284 10.327 1.00 0.00 O ATOM 664 ND2 ASN A 42 -5.420 -5.222 11.011 1.00 0.00 N ATOM 0 H ASN A 42 -8.198 -2.490 13.280 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.135 -5.190 13.688 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.619 -4.721 11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.572 -3.420 11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.810 -5.861 10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.018 -4.459 11.556 1.00 0.00 H new ATOM 671 N ARG A 43 -5.179 -3.092 12.123 1.00 0.00 N ATOM 672 CA ARG A 43 -3.807 -2.641 11.994 1.00 0.00 C ATOM 673 C ARG A 43 -3.453 -1.728 13.158 1.00 0.00 C ATOM 674 O ARG A 43 -3.360 -0.514 12.991 1.00 0.00 O ATOM 675 CB ARG A 43 -3.635 -1.913 10.664 1.00 0.00 C ATOM 676 CG ARG A 43 -5.005 -1.528 10.114 1.00 0.00 C ATOM 677 CD ARG A 43 -5.535 -2.655 9.232 1.00 0.00 C ATOM 678 NE ARG A 43 -6.766 -2.254 8.550 1.00 0.00 N ATOM 679 CZ ARG A 43 -7.155 -2.783 7.382 1.00 0.00 C ATOM 680 NH1 ARG A 43 -6.405 -3.723 6.790 1.00 0.00 N ATOM 681 NH2 ARG A 43 -8.293 -2.374 6.806 1.00 0.00 N ATOM 0 H ARG A 43 -5.790 -2.801 11.360 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.135 -3.499 12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.023 -1.022 10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.112 -2.552 9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.697 -1.338 10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.931 -0.605 9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.780 -2.930 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.724 -3.539 9.841 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.353 -1.541 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.539 -4.035 7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.701 -4.126 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.864 -1.659 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.588 -2.777 5.917 1.00 0.00 H new ATOM 695 N CYS A 44 -3.255 -2.315 14.341 1.00 0.00 N ATOM 696 CA CYS A 44 -2.912 -1.554 15.525 1.00 0.00 C ATOM 697 C CYS A 44 -3.742 -0.279 15.576 1.00 0.00 C ATOM 698 O CYS A 44 -3.339 0.703 16.195 1.00 0.00 O ATOM 699 CB CYS A 44 -1.421 -1.227 15.505 1.00 0.00 C ATOM 700 SG CYS A 44 -0.846 -0.326 16.966 1.00 0.00 S ATOM 0 H CYS A 44 -3.329 -3.321 14.495 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.130 -2.143 16.416 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.857 -2.156 15.418 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.201 -0.636 14.616 1.00 0.00 H new ATOM 705 N PHE A 45 -4.906 -0.297 14.923 1.00 0.00 N ATOM 706 CA PHE A 45 -5.785 0.855 14.898 1.00 0.00 C ATOM 707 C PHE A 45 -5.210 1.924 13.980 1.00 0.00 C ATOM 708 O PHE A 45 -5.173 3.099 14.337 1.00 0.00 O ATOM 709 CB PHE A 45 -5.955 1.394 16.316 1.00 0.00 C ATOM 710 CG PHE A 45 -6.073 0.311 17.362 1.00 0.00 C ATOM 711 CD1 PHE A 45 -6.352 -1.006 16.978 1.00 0.00 C ATOM 712 CD2 PHE A 45 -5.901 0.624 18.716 1.00 0.00 C ATOM 713 CE1 PHE A 45 -6.459 -2.010 17.948 1.00 0.00 C ATOM 714 CE2 PHE A 45 -6.008 -0.380 19.686 1.00 0.00 C ATOM 715 CZ PHE A 45 -6.287 -1.697 19.302 1.00 0.00 C ATOM 0 H PHE A 45 -5.255 -1.104 14.405 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.762 0.563 14.514 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.104 2.031 16.558 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.845 2.022 16.353 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.485 -1.248 15.934 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.686 1.640 19.012 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.674 -3.026 17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.875 -0.138 20.730 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.370 -2.472 20.050 1.00 0.00 H new ATOM 725 N TYR A 46 -4.760 1.513 12.792 1.00 0.00 N ATOM 726 CA TYR A 46 -4.188 2.435 11.832 1.00 0.00 C ATOM 727 C TYR A 46 -4.760 2.159 10.448 1.00 0.00 C ATOM 728 O TYR A 46 -4.160 1.433 9.659 1.00 0.00 O ATOM 729 CB TYR A 46 -2.669 2.288 11.829 1.00 0.00 C ATOM 730 CG TYR A 46 -1.954 3.432 11.151 1.00 0.00 C ATOM 731 CD1 TYR A 46 -1.757 3.412 9.766 1.00 0.00 C ATOM 732 CD2 TYR A 46 -1.488 4.513 11.909 1.00 0.00 C ATOM 733 CE1 TYR A 46 -1.094 4.473 9.138 1.00 0.00 C ATOM 734 CE2 TYR A 46 -0.824 5.574 11.282 1.00 0.00 C ATOM 735 CZ TYR A 46 -0.627 5.554 9.896 1.00 0.00 C ATOM 736 OH TYR A 46 0.019 6.587 9.284 1.00 0.00 O ATOM 0 H TYR A 46 -4.785 0.542 12.479 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.440 3.458 12.110 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.318 2.209 12.858 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.403 1.357 11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.116 2.578 9.181 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.641 4.528 12.978 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.943 4.458 8.069 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.464 6.407 11.867 1.00 0.00 H new ATOM 0 HH TYR A 46 0.276 7.255 9.954 1.00 0.00 H new ATOM 746 N ASN A 47 -5.924 2.742 10.155 1.00 0.00 N ATOM 747 CA ASN A 47 -6.568 2.557 8.871 1.00 0.00 C ATOM 748 C ASN A 47 -7.789 3.460 8.767 1.00 0.00 C ATOM 749 O ASN A 47 -8.739 3.148 8.052 1.00 0.00 O ATOM 750 CB ASN A 47 -6.964 1.092 8.708 1.00 0.00 C ATOM 751 CG ASN A 47 -6.644 0.595 7.306 1.00 0.00 C ATOM 752 OD1 ASN A 47 -5.718 -0.192 7.121 1.00 0.00 O ATOM 753 ND2 ASN A 47 -7.415 1.054 6.317 1.00 0.00 N ATOM 0 H ASN A 47 -6.435 3.347 10.798 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.876 2.825 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.436 0.485 9.443 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.030 0.975 8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.247 0.752 5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.172 1.706 6.521 1.00 0.00 H new ATOM 760 N GLU A 48 -7.762 4.585 9.486 1.00 0.00 N ATOM 761 CA GLU A 48 -8.863 5.527 9.470 1.00 0.00 C ATOM 762 C GLU A 48 -10.129 4.854 9.984 1.00 0.00 C ATOM 763 O GLU A 48 -11.088 5.527 10.353 1.00 0.00 O ATOM 764 CB GLU A 48 -9.065 6.047 8.050 1.00 0.00 C ATOM 765 CG GLU A 48 -10.167 5.243 7.365 1.00 0.00 C ATOM 766 CD GLU A 48 -11.386 6.112 7.096 1.00 0.00 C ATOM 767 OE1 GLU A 48 -11.518 7.138 7.797 1.00 0.00 O ATOM 768 OE2 GLU A 48 -12.164 5.735 6.193 1.00 0.00 O ATOM 0 H GLU A 48 -6.983 4.858 10.085 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.634 6.369 10.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.332 7.104 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.136 5.965 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.794 4.833 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.449 4.398 7.992 1.00 0.00 H new ATOM 775 N TRP A 49 -10.128 3.520 10.006 1.00 0.00 N ATOM 776 CA TRP A 49 -11.273 2.766 10.476 1.00 0.00 C ATOM 777 C TRP A 49 -11.755 3.329 11.805 1.00 0.00 C ATOM 778 O TRP A 49 -12.836 2.983 12.276 1.00 0.00 O ATOM 779 CB TRP A 49 -10.890 1.296 10.618 1.00 0.00 C ATOM 780 CG TRP A 49 -10.951 0.504 9.352 1.00 0.00 C ATOM 781 CD1 TRP A 49 -9.998 -0.350 8.918 1.00 0.00 C ATOM 782 CD2 TRP A 49 -12.004 0.472 8.340 1.00 0.00 C ATOM 783 NE1 TRP A 49 -10.386 -0.903 7.716 1.00 0.00 N ATOM 784 CE2 TRP A 49 -11.618 -0.430 7.313 1.00 0.00 C ATOM 785 CE3 TRP A 49 -13.246 1.114 8.186 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -12.417 -0.683 6.195 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -14.056 0.868 7.068 1.00 0.00 C ATOM 788 CH2 TRP A 49 -13.646 -0.027 6.073 1.00 0.00 C ATOM 0 H TRP A 49 -9.342 2.946 9.702 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.086 2.848 9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.878 1.236 11.018 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.550 0.833 11.351 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.074 -0.566 9.434 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.831 -1.578 7.190 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -13.582 1.808 8.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.090 -1.376 5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.005 1.374 6.974 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -14.276 -0.210 5.215 1.00 0.00 H new ATOM 799 N PHE A 50 -10.946 4.201 12.411 1.00 0.00 N ATOM 800 CA PHE A 50 -11.292 4.807 13.681 1.00 0.00 C ATOM 801 C PHE A 50 -12.296 5.931 13.461 1.00 0.00 C ATOM 802 O PHE A 50 -13.096 6.234 14.343 1.00 0.00 O ATOM 803 CB PHE A 50 -10.027 5.335 14.353 1.00 0.00 C ATOM 804 CG PHE A 50 -10.056 5.230 15.859 1.00 0.00 C ATOM 805 CD1 PHE A 50 -10.218 3.981 16.470 1.00 0.00 C ATOM 806 CD2 PHE A 50 -9.924 6.382 16.644 1.00 0.00 C ATOM 807 CE1 PHE A 50 -10.247 3.884 17.867 1.00 0.00 C ATOM 808 CE2 PHE A 50 -9.953 6.285 18.040 1.00 0.00 C ATOM 809 CZ PHE A 50 -10.114 5.036 18.651 1.00 0.00 C ATOM 0 H PHE A 50 -10.046 4.498 12.034 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.749 4.061 14.331 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.167 4.783 13.975 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.884 6.379 14.072 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.321 3.093 15.865 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.800 7.346 16.172 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.372 2.921 18.339 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.851 7.173 18.645 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.136 4.961 19.728 1.00 0.00 H new ATOM 819 N LEU A 51 -12.251 6.549 12.278 1.00 0.00 N ATOM 820 CA LEU A 51 -13.154 7.633 11.947 1.00 0.00 C ATOM 821 C LEU A 51 -14.510 7.071 11.543 1.00 0.00 C ATOM 822 O LEU A 51 -15.544 7.663 11.843 1.00 0.00 O ATOM 823 CB LEU A 51 -12.556 8.466 10.817 1.00 0.00 C ATOM 824 CG LEU A 51 -13.417 9.704 10.587 1.00 0.00 C ATOM 825 CD1 LEU A 51 -12.583 10.957 10.832 1.00 0.00 C ATOM 826 CD2 LEU A 51 -13.930 9.706 9.149 1.00 0.00 C ATOM 0 H LEU A 51 -11.593 6.309 11.537 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.293 8.273 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.537 8.760 11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.501 7.873 9.904 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.263 9.692 11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.198 11.842 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.217 10.955 11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.737 10.971 10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.545 10.590 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.085 9.718 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.527 8.811 8.974 1.00 0.00 H new ATOM 838 N ILE A 52 -14.502 5.924 10.860 1.00 0.00 N ATOM 839 CA ILE A 52 -15.727 5.286 10.420 1.00 0.00 C ATOM 840 C ILE A 52 -16.581 4.923 11.626 1.00 0.00 C ATOM 841 O ILE A 52 -17.797 5.099 11.603 1.00 0.00 O ATOM 842 CB ILE A 52 -15.386 4.043 9.603 1.00 0.00 C ATOM 843 CG1 ILE A 52 -14.462 4.427 8.451 1.00 0.00 C ATOM 844 CG2 ILE A 52 -16.670 3.435 9.044 1.00 0.00 C ATOM 845 CD1 ILE A 52 -13.054 4.670 8.988 1.00 0.00 C ATOM 0 H ILE A 52 -13.652 5.422 10.603 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.295 5.972 9.792 1.00 0.00 H new ATOM 0 HB ILE A 52 -14.886 3.315 10.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.446 3.634 7.704 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.834 5.324 7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -16.428 2.547 8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.330 3.160 9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.170 4.164 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -12.393 4.944 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.078 5.478 9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.684 3.761 9.463 1.00 0.00 H new ATOM 857 N CYS A 53 -15.941 4.415 12.682 1.00 0.00 N ATOM 858 CA CYS A 53 -16.643 4.030 13.890 1.00 0.00 C ATOM 859 C CYS A 53 -17.073 5.275 14.654 1.00 0.00 C ATOM 860 O CYS A 53 -18.239 5.410 15.019 1.00 0.00 O ATOM 861 CB CYS A 53 -15.735 3.155 14.749 1.00 0.00 C ATOM 862 SG CYS A 53 -15.376 1.535 14.025 1.00 0.00 S ATOM 0 H CYS A 53 -14.933 4.264 12.716 1.00 0.00 H new ATOM 0 HA CYS A 53 -17.535 3.460 13.631 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -14.796 3.681 14.920 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -16.202 3.011 15.723 1.00 0.00 H new ATOM 867 N LEU A 54 -16.127 6.186 14.894 1.00 0.00 N ATOM 868 CA LEU A 54 -16.411 7.412 15.612 1.00 0.00 C ATOM 869 C LEU A 54 -17.542 8.163 14.924 1.00 0.00 C ATOM 870 O LEU A 54 -18.280 8.906 15.568 1.00 0.00 O ATOM 871 CB LEU A 54 -15.150 8.270 15.671 1.00 0.00 C ATOM 872 CG LEU A 54 -14.456 8.063 17.014 1.00 0.00 C ATOM 873 CD1 LEU A 54 -13.329 7.047 16.852 1.00 0.00 C ATOM 874 CD2 LEU A 54 -13.880 9.390 17.499 1.00 0.00 C ATOM 0 H LEU A 54 -15.156 6.089 14.597 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.723 7.178 16.630 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.477 8.002 14.857 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.406 9.321 15.540 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.177 7.693 17.743 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.832 6.898 17.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.741 6.099 16.506 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.608 7.417 16.123 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.384 9.242 18.458 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.159 9.761 16.771 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.685 10.116 17.615 1.00 0.00 H new ATOM 886 N LYS A 55 -17.678 7.968 13.611 1.00 0.00 N ATOM 887 CA LYS A 55 -18.717 8.626 12.844 1.00 0.00 C ATOM 888 C LYS A 55 -20.077 8.056 13.220 1.00 0.00 C ATOM 889 O LYS A 55 -21.034 8.802 13.418 1.00 0.00 O ATOM 890 CB LYS A 55 -18.445 8.437 11.355 1.00 0.00 C ATOM 891 CG LYS A 55 -17.990 9.763 10.750 1.00 0.00 C ATOM 892 CD LYS A 55 -16.694 9.550 9.973 1.00 0.00 C ATOM 893 CE LYS A 55 -16.889 9.992 8.526 1.00 0.00 C ATOM 894 NZ LYS A 55 -17.571 11.294 8.459 1.00 0.00 N ATOM 0 H LYS A 55 -17.075 7.355 13.062 1.00 0.00 H new ATOM 0 HA LYS A 55 -18.719 9.693 13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.679 7.676 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.345 8.085 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.762 10.157 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.837 10.501 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.885 10.118 10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.405 8.499 10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.921 10.059 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.472 9.244 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.306 11.264 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.010 11.504 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.880 12.036 8.228 1.00 0.00 H new ATOM 908 N ALA A 56 -20.161 6.727 13.319 1.00 0.00 N ATOM 909 CA ALA A 56 -21.401 6.063 13.668 1.00 0.00 C ATOM 910 C ALA A 56 -21.684 6.249 15.152 1.00 0.00 C ATOM 911 O ALA A 56 -22.741 5.853 15.639 1.00 0.00 O ATOM 912 CB ALA A 56 -21.300 4.582 13.318 1.00 0.00 C ATOM 0 H ALA A 56 -19.376 6.095 13.160 1.00 0.00 H new ATOM 0 HA ALA A 56 -22.224 6.500 13.103 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -22.232 4.082 13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -21.118 4.472 12.249 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.478 4.132 13.874 1.00 0.00 H new ATOM 918 N ALA A 57 -20.735 6.852 15.872 1.00 0.00 N ATOM 919 CA ALA A 57 -20.885 7.085 17.294 1.00 0.00 C ATOM 920 C ALA A 57 -21.239 8.544 17.543 1.00 0.00 C ATOM 921 O ALA A 57 -21.561 8.925 18.666 1.00 0.00 O ATOM 922 CB ALA A 57 -19.590 6.713 18.009 1.00 0.00 C ATOM 0 H ALA A 57 -19.853 7.186 15.483 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.691 6.465 17.685 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.702 6.888 19.079 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.368 5.660 17.835 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.774 7.325 17.625 1.00 0.00 H new ATOM 928 N ASN A 58 -21.178 9.362 16.489 1.00 0.00 N ATOM 929 CA ASN A 58 -21.491 10.773 16.600 1.00 0.00 C ATOM 930 C ASN A 58 -20.386 11.492 17.360 1.00 0.00 C ATOM 931 O ASN A 58 -20.465 11.650 18.576 1.00 0.00 O ATOM 932 CB ASN A 58 -22.832 10.940 17.309 1.00 0.00 C ATOM 933 CG ASN A 58 -23.372 12.351 17.125 1.00 0.00 C ATOM 934 OD1 ASN A 58 -24.195 12.810 17.914 1.00 0.00 O ATOM 935 ND2 ASN A 58 -22.904 13.040 16.082 1.00 0.00 N ATOM 0 H ASN A 58 -20.913 9.062 15.551 1.00 0.00 H new ATOM 0 HA ASN A 58 -21.562 11.212 15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -23.548 10.218 16.916 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -22.715 10.727 18.372 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -23.229 13.992 15.912 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -22.221 12.615 15.455 1.00 0.00 H new ATOM 942 N ARG A 59 -19.352 11.929 16.637 1.00 0.00 N ATOM 943 CA ARG A 59 -18.237 12.628 17.242 1.00 0.00 C ATOM 944 C ARG A 59 -17.306 13.151 16.158 1.00 0.00 C ATOM 945 O ARG A 59 -17.126 14.359 16.020 1.00 0.00 O ATOM 946 CB ARG A 59 -17.494 11.682 18.181 1.00 0.00 C ATOM 947 CG ARG A 59 -17.886 11.985 19.624 1.00 0.00 C ATOM 948 CD ARG A 59 -18.193 10.680 20.354 1.00 0.00 C ATOM 949 NE ARG A 59 -19.064 10.915 21.506 1.00 0.00 N ATOM 950 CZ ARG A 59 -19.012 10.170 22.618 1.00 0.00 C ATOM 951 NH1 ARG A 59 -18.134 9.162 22.709 1.00 0.00 N ATOM 952 NH2 ARG A 59 -19.838 10.433 23.640 1.00 0.00 N ATOM 0 H ARG A 59 -19.272 11.806 15.628 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.605 13.477 17.818 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.735 10.647 17.937 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.418 11.797 18.054 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.077 12.514 20.128 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.757 12.640 19.645 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.671 9.980 19.669 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.263 10.217 20.685 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.739 11.678 21.460 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.505 8.962 21.931 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.095 8.595 23.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.506 11.200 23.571 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.798 9.866 24.487 1.00 0.00 H new ATOM 966 N GLU A 60 -16.713 12.237 15.386 1.00 0.00 N ATOM 967 CA GLU A 60 -15.807 12.612 14.319 1.00 0.00 C ATOM 968 C GLU A 60 -15.039 13.868 14.707 1.00 0.00 C ATOM 969 O GLU A 60 -14.809 14.742 13.874 1.00 0.00 O ATOM 970 CB GLU A 60 -16.601 12.839 13.035 1.00 0.00 C ATOM 971 CG GLU A 60 -15.640 12.962 11.857 1.00 0.00 C ATOM 972 CD GLU A 60 -16.361 12.718 10.539 1.00 0.00 C ATOM 973 OE1 GLU A 60 -17.602 12.869 10.536 1.00 0.00 O ATOM 974 OE2 GLU A 60 -15.659 12.386 9.561 1.00 0.00 O ATOM 0 H GLU A 60 -16.850 11.231 15.487 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.088 11.810 14.151 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.291 12.011 12.870 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.203 13.743 13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.190 13.955 11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.827 12.245 11.969 1.00 0.00 H new ATOM 981 N ASP A 61 -14.642 13.955 15.978 1.00 0.00 N ATOM 982 CA ASP A 61 -13.903 15.100 16.471 1.00 0.00 C ATOM 983 C ASP A 61 -12.756 14.631 17.354 1.00 0.00 C ATOM 984 O ASP A 61 -11.675 15.215 17.334 1.00 0.00 O ATOM 985 CB ASP A 61 -14.845 16.015 17.249 1.00 0.00 C ATOM 986 CG ASP A 61 -15.350 17.150 16.369 1.00 0.00 C ATOM 987 OD1 ASP A 61 -15.748 16.845 15.224 1.00 0.00 O ATOM 988 OD2 ASP A 61 -15.327 18.300 16.857 1.00 0.00 O ATOM 0 H ASP A 61 -14.825 13.239 16.681 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.486 15.658 15.633 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.690 15.438 17.626 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.327 16.425 18.116 1.00 0.00 H new ATOM 993 N GLU A 62 -12.993 13.572 18.132 1.00 0.00 N ATOM 994 CA GLU A 62 -11.978 13.033 19.015 1.00 0.00 C ATOM 995 C GLU A 62 -10.966 12.227 18.213 1.00 0.00 C ATOM 996 O GLU A 62 -10.137 11.521 18.783 1.00 0.00 O ATOM 997 CB GLU A 62 -12.641 12.162 20.079 1.00 0.00 C ATOM 998 CG GLU A 62 -13.924 12.834 20.559 1.00 0.00 C ATOM 999 CD GLU A 62 -13.632 13.826 21.676 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -12.976 14.846 21.371 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.069 13.546 22.813 1.00 0.00 O ATOM 0 H GLU A 62 -13.884 13.076 18.162 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.451 13.850 19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.865 11.177 19.670 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.961 12.012 20.917 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.403 13.349 19.726 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.625 12.078 20.913 1.00 0.00 H new ATOM 1008 N ILE A 63 -11.035 12.336 16.884 1.00 0.00 N ATOM 1009 CA ILE A 63 -10.128 11.623 16.008 1.00 0.00 C ATOM 1010 C ILE A 63 -8.753 12.277 16.048 1.00 0.00 C ATOM 1011 O ILE A 63 -7.735 11.589 16.010 1.00 0.00 O ATOM 1012 CB ILE A 63 -10.687 11.623 14.588 1.00 0.00 C ATOM 1013 CG1 ILE A 63 -12.178 11.304 14.628 1.00 0.00 C ATOM 1014 CG2 ILE A 63 -9.963 10.567 13.757 1.00 0.00 C ATOM 1015 CD1 ILE A 63 -12.377 9.792 14.575 1.00 0.00 C ATOM 0 H ILE A 63 -11.717 12.917 16.397 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.028 10.591 16.343 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.538 12.605 14.139 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.623 11.708 15.537 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -12.685 11.778 13.787 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.362 10.566 12.742 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.897 10.794 13.728 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.112 9.585 14.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -13.443 9.564 14.604 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.947 9.400 13.653 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.884 9.330 15.430 1.00 0.00 H new ATOM 1027 N GLU A 64 -8.726 13.609 16.124 1.00 0.00 N ATOM 1028 CA GLU A 64 -7.478 14.344 16.169 1.00 0.00 C ATOM 1029 C GLU A 64 -6.608 13.822 17.304 1.00 0.00 C ATOM 1030 O GLU A 64 -5.470 13.414 17.083 1.00 0.00 O ATOM 1031 CB GLU A 64 -7.771 15.831 16.353 1.00 0.00 C ATOM 1032 CG GLU A 64 -7.191 16.612 15.178 1.00 0.00 C ATOM 1033 CD GLU A 64 -7.463 18.102 15.329 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -8.617 18.498 15.057 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -6.513 18.817 15.713 1.00 0.00 O ATOM 0 H GLU A 64 -9.561 14.194 16.155 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.938 14.205 15.233 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.847 15.996 16.418 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.338 16.185 17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.117 16.439 15.116 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.626 16.251 14.246 1.00 0.00 H new ATOM 1042 N LYS A 65 -7.149 13.835 18.525 1.00 0.00 N ATOM 1043 CA LYS A 65 -6.423 13.364 19.687 1.00 0.00 C ATOM 1044 C LYS A 65 -6.198 11.862 19.583 1.00 0.00 C ATOM 1045 O LYS A 65 -5.136 11.362 19.948 1.00 0.00 O ATOM 1046 CB LYS A 65 -7.207 13.706 20.950 1.00 0.00 C ATOM 1047 CG LYS A 65 -8.630 13.167 20.827 1.00 0.00 C ATOM 1048 CD LYS A 65 -9.074 12.590 22.168 1.00 0.00 C ATOM 1049 CE LYS A 65 -10.324 13.322 22.648 1.00 0.00 C ATOM 1050 NZ LYS A 65 -10.410 13.310 24.116 1.00 0.00 N ATOM 0 H LYS A 65 -8.091 14.170 18.726 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.451 13.854 19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.717 13.274 21.823 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.227 14.786 21.097 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.307 13.964 20.520 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.673 12.398 20.056 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.280 11.524 22.067 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.275 12.692 22.902 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.307 14.351 22.289 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.211 12.851 22.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.268 13.814 24.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.449 12.327 24.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.574 13.781 24.517 1.00 0.00 H new ATOM 1064 N PHE A 66 -7.204 11.141 19.082 1.00 0.00 N ATOM 1065 CA PHE A 66 -7.112 9.703 18.932 1.00 0.00 C ATOM 1066 C PHE A 66 -6.056 9.358 17.891 1.00 0.00 C ATOM 1067 O PHE A 66 -5.442 8.296 17.954 1.00 0.00 O ATOM 1068 CB PHE A 66 -8.474 9.146 18.528 1.00 0.00 C ATOM 1069 CG PHE A 66 -9.493 9.177 19.641 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -9.076 9.345 20.967 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -10.854 9.036 19.349 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -10.020 9.372 22.000 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -11.799 9.063 20.382 1.00 0.00 C ATOM 1074 CZ PHE A 66 -11.382 9.231 21.707 1.00 0.00 C ATOM 0 H PHE A 66 -8.091 11.540 18.775 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.818 9.253 19.880 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.855 9.718 17.682 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.351 8.118 18.188 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.025 9.454 21.193 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -11.176 8.906 18.326 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.698 9.502 23.023 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -12.849 8.954 20.156 1.00 0.00 H new ATOM 0 HZ PHE A 66 -12.111 9.252 22.504 1.00 0.00 H new ATOM 1084 N ARG A 67 -5.847 10.262 16.931 1.00 0.00 N ATOM 1085 CA ARG A 67 -4.870 10.051 15.882 1.00 0.00 C ATOM 1086 C ARG A 67 -3.474 9.976 16.484 1.00 0.00 C ATOM 1087 O ARG A 67 -2.780 8.974 16.327 1.00 0.00 O ATOM 1088 CB ARG A 67 -4.960 11.187 14.867 1.00 0.00 C ATOM 1089 CG ARG A 67 -5.181 10.607 13.473 1.00 0.00 C ATOM 1090 CD ARG A 67 -6.678 10.547 13.178 1.00 0.00 C ATOM 1091 NE ARG A 67 -6.957 9.645 12.060 1.00 0.00 N ATOM 1092 CZ ARG A 67 -7.788 9.966 11.059 1.00 0.00 C ATOM 1093 NH1 ARG A 67 -8.402 11.156 11.054 1.00 0.00 N ATOM 1094 NH2 ARG A 67 -8.004 9.096 10.063 1.00 0.00 N ATOM 0 H ARG A 67 -6.348 11.148 16.866 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.076 9.109 15.373 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.779 11.858 15.127 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.045 11.779 14.885 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.677 11.222 12.727 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.747 9.609 13.410 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.214 10.209 14.065 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.047 11.546 12.945 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.500 8.733 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.237 11.818 11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.035 11.400 10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.536 8.190 10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.637 9.340 9.301 1.00 0.00 H new ATOM 1108 N VAL A 68 -3.064 11.042 17.176 1.00 0.00 N ATOM 1109 CA VAL A 68 -1.756 11.092 17.798 1.00 0.00 C ATOM 1110 C VAL A 68 -1.550 9.859 18.665 1.00 0.00 C ATOM 1111 O VAL A 68 -0.429 9.375 18.805 1.00 0.00 O ATOM 1112 CB VAL A 68 -1.639 12.365 18.632 1.00 0.00 C ATOM 1113 CG1 VAL A 68 -2.287 12.142 19.995 1.00 0.00 C ATOM 1114 CG2 VAL A 68 -0.166 12.716 18.820 1.00 0.00 C ATOM 0 H VAL A 68 -3.628 11.881 17.315 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.983 11.104 17.029 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.145 13.183 18.119 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.203 13.051 20.591 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.339 11.891 19.861 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.782 11.324 20.509 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.082 13.625 19.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.340 11.898 19.333 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.297 12.876 17.846 1.00 0.00 H new ATOM 1124 N TRP A 69 -2.637 9.348 19.248 1.00 0.00 N ATOM 1125 CA TRP A 69 -2.567 8.174 20.094 1.00 0.00 C ATOM 1126 C TRP A 69 -2.154 6.964 19.269 1.00 0.00 C ATOM 1127 O TRP A 69 -1.197 6.273 19.610 1.00 0.00 O ATOM 1128 CB TRP A 69 -3.924 7.942 20.753 1.00 0.00 C ATOM 1129 CG TRP A 69 -4.292 8.939 21.804 1.00 0.00 C ATOM 1130 CD1 TRP A 69 -3.519 9.972 22.205 1.00 0.00 C ATOM 1131 CD2 TRP A 69 -5.513 9.022 22.601 1.00 0.00 C ATOM 1132 NE1 TRP A 69 -4.174 10.684 23.189 1.00 0.00 N ATOM 1133 CE2 TRP A 69 -5.410 10.140 23.472 1.00 0.00 C ATOM 1134 CE3 TRP A 69 -6.697 8.267 22.676 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 -6.423 10.490 24.369 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 -7.720 8.610 23.572 1.00 0.00 C ATOM 1137 CH2 TRP A 69 -7.587 9.718 24.418 1.00 0.00 C ATOM 0 H TRP A 69 -3.574 9.736 19.144 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.820 8.328 20.873 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.693 7.950 19.980 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.930 6.947 21.199 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.539 10.205 21.815 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -3.792 11.510 23.650 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -6.821 7.408 22.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -6.308 11.347 25.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -8.620 8.014 23.610 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -8.380 9.975 25.105 1.00 0.00 H new ATOM 1148 N ILE A 70 -2.881 6.710 18.178 1.00 0.00 N ATOM 1149 CA ILE A 70 -2.589 5.589 17.307 1.00 0.00 C ATOM 1150 C ILE A 70 -1.123 5.619 16.902 1.00 0.00 C ATOM 1151 O ILE A 70 -0.545 4.584 16.577 1.00 0.00 O ATOM 1152 CB ILE A 70 -3.493 5.652 16.079 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -4.942 5.431 16.500 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -3.080 4.567 15.088 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -5.021 4.233 17.443 1.00 0.00 C ATOM 0 H ILE A 70 -3.678 7.274 17.883 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.779 4.654 17.834 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.398 6.631 15.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.328 6.322 16.994 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.565 5.258 15.622 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.725 4.611 14.210 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.045 4.725 14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.175 3.589 15.559 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.057 4.075 17.744 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.651 3.343 16.933 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.412 4.424 18.326 1.00 0.00 H new ATOM 1167 N SER A 71 -0.520 6.811 16.921 1.00 0.00 N ATOM 1168 CA SER A 71 0.873 6.967 16.558 1.00 0.00 C ATOM 1169 C SER A 71 1.762 6.515 17.708 1.00 0.00 C ATOM 1170 O SER A 71 2.815 5.921 17.486 1.00 0.00 O ATOM 1171 CB SER A 71 1.145 8.427 16.206 1.00 0.00 C ATOM 1172 OG SER A 71 1.604 8.512 14.876 1.00 0.00 O ATOM 0 H SER A 71 -0.985 7.679 17.186 1.00 0.00 H new ATOM 0 HA SER A 71 1.097 6.348 15.689 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.236 9.017 16.327 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.888 8.844 16.886 1.00 0.00 H new ATOM 0 HG SER A 71 1.777 9.449 14.649 1.00 0.00 H new ATOM 1178 N ILE A 72 1.333 6.796 18.940 1.00 0.00 N ATOM 1179 CA ILE A 72 2.086 6.417 20.119 1.00 0.00 C ATOM 1180 C ILE A 72 2.323 4.913 20.117 1.00 0.00 C ATOM 1181 O ILE A 72 3.416 4.455 20.441 1.00 0.00 O ATOM 1182 CB ILE A 72 1.321 6.843 21.369 1.00 0.00 C ATOM 1183 CG1 ILE A 72 1.200 8.364 21.398 1.00 0.00 C ATOM 1184 CG2 ILE A 72 2.072 6.369 22.610 1.00 0.00 C ATOM 1185 CD1 ILE A 72 0.135 8.770 22.413 1.00 0.00 C ATOM 0 H ILE A 72 0.462 7.288 19.139 1.00 0.00 H new ATOM 0 HA ILE A 72 3.054 6.918 20.114 1.00 0.00 H new ATOM 0 HB ILE A 72 0.325 6.400 21.355 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.158 8.811 21.662 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.936 8.737 20.409 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.527 6.673 23.503 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.159 5.283 22.590 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.068 6.813 22.624 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.048 9.856 22.434 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.823 8.335 22.129 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.418 8.409 23.402 1.00 0.00 H new ATOM 1197 N LEU A 73 1.294 4.145 19.750 1.00 0.00 N ATOM 1198 CA LEU A 73 1.395 2.700 19.707 1.00 0.00 C ATOM 1199 C LEU A 73 2.437 2.285 18.679 1.00 0.00 C ATOM 1200 O LEU A 73 2.965 1.177 18.738 1.00 0.00 O ATOM 1201 CB LEU A 73 0.032 2.105 19.365 1.00 0.00 C ATOM 1202 CG LEU A 73 -1.054 3.148 19.613 1.00 0.00 C ATOM 1203 CD1 LEU A 73 -2.416 2.559 19.257 1.00 0.00 C ATOM 1204 CD2 LEU A 73 -1.044 3.554 21.084 1.00 0.00 C ATOM 0 H LEU A 73 0.381 4.510 19.479 1.00 0.00 H new ATOM 0 HA LEU A 73 1.706 2.325 20.682 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.014 1.786 18.323 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.153 1.220 19.973 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.864 4.024 18.993 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.192 3.304 19.434 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.424 2.270 18.206 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.606 1.682 19.876 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.820 4.299 21.261 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.234 2.678 21.704 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.071 3.975 21.339 1.00 0.00 H new ATOM 1216 N ASN A 74 2.734 3.180 17.734 1.00 0.00 N ATOM 1217 CA ASN A 74 3.711 2.903 16.700 1.00 0.00 C ATOM 1218 C ASN A 74 5.096 3.322 17.170 1.00 0.00 C ATOM 1219 O ASN A 74 6.036 3.368 16.379 1.00 0.00 O ATOM 1220 CB ASN A 74 3.324 3.647 15.425 1.00 0.00 C ATOM 1221 CG ASN A 74 2.165 2.956 14.722 1.00 0.00 C ATOM 1222 OD1 ASN A 74 2.020 1.738 14.812 1.00 0.00 O ATOM 1223 ND2 ASN A 74 1.336 3.735 14.024 1.00 0.00 N ATOM 0 H ASN A 74 2.306 4.103 17.671 1.00 0.00 H new ATOM 0 HA ASN A 74 3.730 1.834 16.490 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.047 4.673 15.668 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.182 3.698 14.755 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.540 3.324 13.535 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.498 4.741 13.979 1.00 0.00 H new ATOM 1230 N ALA A 75 5.221 3.628 18.463 1.00 0.00 N ATOM 1231 CA ALA A 75 6.487 4.042 19.033 1.00 0.00 C ATOM 1232 C ALA A 75 7.488 2.899 18.948 1.00 0.00 C ATOM 1233 O ALA A 75 7.866 2.322 19.965 1.00 0.00 O ATOM 1234 CB ALA A 75 6.276 4.469 20.482 1.00 0.00 C ATOM 0 H ALA A 75 4.451 3.594 19.131 1.00 0.00 H new ATOM 0 HA ALA A 75 6.883 4.889 18.473 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.228 4.781 20.912 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.572 5.301 20.517 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.877 3.631 21.054 1.00 0.00 H new ATOM 1240 N GLY A 76 7.920 2.571 17.727 1.00 0.00 N ATOM 1241 CA GLY A 76 8.873 1.499 17.520 1.00 0.00 C ATOM 1242 C GLY A 76 8.568 0.766 16.221 1.00 0.00 C ATOM 1243 O GLY A 76 9.456 0.169 15.616 1.00 0.00 O ATOM 0 H GLY A 76 7.619 3.038 16.872 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.885 1.903 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.834 0.802 18.357 1.00 0.00 H new ATOM 1247 N GLN A 77 7.304 0.813 15.792 1.00 0.00 N ATOM 1248 CA GLN A 77 6.887 0.154 14.571 1.00 0.00 C ATOM 1249 C GLN A 77 6.946 1.136 13.408 1.00 0.00 C ATOM 1250 O GLN A 77 6.610 2.307 13.565 1.00 0.00 O ATOM 1251 CB GLN A 77 5.473 -0.391 14.747 1.00 0.00 C ATOM 1252 CG GLN A 77 4.854 -0.654 13.377 1.00 0.00 C ATOM 1253 CD GLN A 77 4.056 0.551 12.901 1.00 0.00 C ATOM 1254 OE1 GLN A 77 3.338 0.469 11.906 1.00 0.00 O ATOM 1255 NE2 GLN A 77 4.184 1.672 13.614 1.00 0.00 N ATOM 1256 OXT GLN A 77 7.330 0.768 12.301 1.00 0.00 O ATOM 0 H GLN A 77 6.556 1.305 16.281 1.00 0.00 H new ATOM 0 HA GLN A 77 7.559 -0.676 14.353 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.497 -1.312 15.330 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.864 0.322 15.302 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.639 -0.883 12.657 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.205 -1.528 13.429 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.793 1.689 14.432 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.673 2.511 13.341 1.00 0.00 H new TER 1265 GLN A 77