USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 165:sc= -2.02 (180deg=-2.69!) USER MOD Set 2.1: A 48 ASN : amide:sc= -0.499 K(o=-0.38,f=-1.1) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.122 K(o=-0.38,f=-3.7!) USER MOD Set 3.1: A 33 GLN : amide:sc= -1.99 K(o=-1.9,f=-4.7!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 162:sc= 0.041 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.054) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0539 (180deg=-0.451) USER MOD Single : A 30 GLN : amide:sc= -0.104 K(o=-0.1,f=-9.8!) USER MOD Single : A 32 GLN : amide:sc= -3.67! K(o=-3.7!,f=-1.5) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 38 THR OG1 : rot -94:sc= 0.287 USER MOD Single : A 43 CYS SG : rot -170:sc= 1.31 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.13) USER MOD Single : A 50 SER OG : rot -90:sc= -0.237 USER MOD Single : A 54 SER OG : rot 10:sc= -2.39! USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 60 THR OG1 : rot -159:sc= 0.904 USER MOD Single : A 64 GLN : amide:sc= -0.994 K(o=-0.99,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 0.791 (180deg=0.0429) USER MOD Single : A 67 TYR OH : rot 13:sc= 1.24 USER MOD Single : A 70 MET CE :methyl 145:sc= -1.2 (180deg=-2.76) USER MOD Single : A 71 GLN : amide:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= -0.0531 (180deg=-0.0531) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 150:sc= -1.73 (180deg=-2.44) USER MOD Single : A 87 TYR OH : rot 180:sc=-0.00491 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -3:sc= 0.485 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 11.736 -3.163 -7.862 1.00 0.00 N ATOM 47 CA VAL A 22 12.625 -2.139 -7.323 1.00 0.00 C ATOM 48 C VAL A 22 12.332 -1.917 -5.834 1.00 0.00 C ATOM 49 O VAL A 22 13.039 -1.186 -5.137 1.00 0.00 O ATOM 50 CB VAL A 22 12.473 -0.810 -8.107 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.086 -0.231 -7.937 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.541 0.201 -7.705 1.00 0.00 C ATOM 0 HA VAL A 22 13.654 -2.483 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 22 12.615 -1.036 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.009 0.700 -8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.347 -0.941 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.901 -0.035 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.404 1.120 -8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.455 0.417 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.529 -0.211 -7.913 1.00 0.00 H new ATOM 62 N LEU A 23 11.293 -2.585 -5.350 1.00 0.00 N ATOM 63 CA LEU A 23 10.864 -2.455 -3.966 1.00 0.00 C ATOM 64 C LEU A 23 11.764 -3.280 -3.055 1.00 0.00 C ATOM 65 O LEU A 23 11.377 -4.338 -2.566 1.00 0.00 O ATOM 66 CB LEU A 23 9.408 -2.902 -3.814 1.00 0.00 C ATOM 67 CG LEU A 23 8.446 -2.416 -4.905 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.022 -2.837 -4.583 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.531 -0.907 -5.080 1.00 0.00 C ATOM 0 H LEU A 23 10.727 -3.229 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 23 10.938 -1.407 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.382 -3.991 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.039 -2.554 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 23 8.742 -2.879 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.352 -2.484 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.969 -3.924 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.722 -2.405 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.838 -0.592 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.270 -0.417 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.546 -0.630 -5.363 1.00 0.00 H new ATOM 81 N GLN A 24 12.971 -2.786 -2.837 1.00 0.00 N ATOM 82 CA GLN A 24 13.955 -3.491 -2.034 1.00 0.00 C ATOM 83 C GLN A 24 13.707 -3.281 -0.544 1.00 0.00 C ATOM 84 O GLN A 24 14.031 -2.227 0.005 1.00 0.00 O ATOM 85 CB GLN A 24 15.369 -3.029 -2.396 1.00 0.00 C ATOM 86 CG GLN A 24 15.780 -3.363 -3.822 1.00 0.00 C ATOM 87 CD GLN A 24 15.921 -4.855 -4.065 1.00 0.00 C ATOM 88 OE1 GLN A 24 15.684 -5.339 -5.170 1.00 0.00 O ATOM 89 NE2 GLN A 24 16.333 -5.589 -3.042 1.00 0.00 N ATOM 0 H GLN A 24 13.294 -1.893 -3.208 1.00 0.00 H new ATOM 0 HA GLN A 24 13.859 -4.555 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.436 -1.951 -2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 24 16.078 -3.488 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.041 -2.956 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.728 -2.873 -4.045 1.00 0.00 H new ATOM 0 HE21 GLN A 24 16.519 -5.149 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.464 -6.594 -3.156 1.00 0.00 H new ATOM 98 N PHE A 25 13.118 -4.280 0.097 1.00 0.00 N ATOM 99 CA PHE A 25 12.924 -4.254 1.542 1.00 0.00 C ATOM 100 C PHE A 25 14.182 -4.750 2.229 1.00 0.00 C ATOM 101 O PHE A 25 14.749 -5.777 1.857 1.00 0.00 O ATOM 102 CB PHE A 25 11.721 -5.122 1.944 1.00 0.00 C ATOM 103 CG PHE A 25 10.478 -4.815 1.159 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.818 -3.608 1.330 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.962 -5.736 0.262 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.668 -3.325 0.618 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.814 -5.456 -0.452 1.00 0.00 C ATOM 108 CZ PHE A 25 8.192 -4.245 -0.313 1.00 0.00 C ATOM 0 H PHE A 25 12.765 -5.121 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 25 12.722 -3.229 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.978 -6.172 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.517 -4.979 3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.207 -2.881 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.463 -6.682 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.142 -2.396 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.405 -6.196 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.334 -4.003 -0.923 1.00 0.00 H new ATOM 118 N LYS A 26 14.616 -3.972 3.212 1.00 0.00 N ATOM 119 CA LYS A 26 15.793 -4.268 4.015 1.00 0.00 C ATOM 120 C LYS A 26 15.727 -5.676 4.590 1.00 0.00 C ATOM 121 O LYS A 26 16.739 -6.363 4.709 1.00 0.00 O ATOM 122 CB LYS A 26 15.884 -3.222 5.134 1.00 0.00 C ATOM 123 CG LYS A 26 16.238 -3.776 6.503 1.00 0.00 C ATOM 124 CD LYS A 26 15.162 -3.433 7.522 1.00 0.00 C ATOM 125 CE LYS A 26 15.164 -1.952 7.868 1.00 0.00 C ATOM 126 NZ LYS A 26 16.456 -1.522 8.464 1.00 0.00 N ATOM 0 H LYS A 26 14.152 -3.103 3.477 1.00 0.00 H new ATOM 0 HA LYS A 26 16.685 -4.223 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.630 -2.478 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.928 -2.703 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.356 -4.858 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.195 -3.369 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.185 -3.713 7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.319 -4.018 8.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.968 -1.369 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.354 -1.742 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.326 -0.616 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.783 -2.241 9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.165 -1.408 7.711 1.00 0.00 H new ATOM 140 N ASP A 27 14.522 -6.087 4.934 1.00 0.00 N ATOM 141 CA ASP A 27 14.275 -7.396 5.507 1.00 0.00 C ATOM 142 C ASP A 27 12.772 -7.581 5.577 1.00 0.00 C ATOM 143 O ASP A 27 12.038 -6.738 5.047 1.00 0.00 O ATOM 144 CB ASP A 27 14.891 -7.500 6.906 1.00 0.00 C ATOM 145 CG ASP A 27 15.349 -8.903 7.233 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.494 -9.813 7.283 1.00 0.00 O ATOM 147 OD2 ASP A 27 16.559 -9.104 7.450 1.00 0.00 O ATOM 0 H ASP A 27 13.682 -5.519 4.823 1.00 0.00 H new ATOM 0 HA ASP A 27 14.731 -8.172 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.739 -6.818 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.159 -7.178 7.647 1.00 0.00 H new ATOM 152 N GLU A 28 12.293 -8.623 6.239 1.00 0.00 N ATOM 153 CA GLU A 28 10.853 -8.825 6.343 1.00 0.00 C ATOM 154 C GLU A 28 10.244 -7.685 7.158 1.00 0.00 C ATOM 155 O GLU A 28 9.082 -7.341 6.990 1.00 0.00 O ATOM 156 CB GLU A 28 10.501 -10.197 6.953 1.00 0.00 C ATOM 157 CG GLU A 28 10.452 -10.247 8.478 1.00 0.00 C ATOM 158 CD GLU A 28 11.816 -10.206 9.134 1.00 0.00 C ATOM 159 OE1 GLU A 28 12.403 -11.284 9.360 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.292 -9.099 9.460 1.00 0.00 O ATOM 0 H GLU A 28 12.864 -9.329 6.704 1.00 0.00 H new ATOM 0 HA GLU A 28 10.430 -8.819 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.531 -10.509 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.232 -10.927 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.859 -9.408 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.938 -11.157 8.786 1.00 0.00 H new ATOM 167 N ALA A 29 11.068 -7.087 8.015 1.00 0.00 N ATOM 168 CA ALA A 29 10.660 -5.956 8.842 1.00 0.00 C ATOM 169 C ALA A 29 10.192 -4.778 8.000 1.00 0.00 C ATOM 170 O ALA A 29 9.161 -4.174 8.291 1.00 0.00 O ATOM 171 CB ALA A 29 11.804 -5.517 9.735 1.00 0.00 C ATOM 0 H ALA A 29 12.037 -7.373 8.155 1.00 0.00 H new ATOM 0 HA ALA A 29 9.822 -6.289 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.485 -4.673 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.098 -6.343 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.653 -5.219 9.119 1.00 0.00 H new ATOM 177 N GLN A 30 10.944 -4.446 6.952 1.00 0.00 N ATOM 178 CA GLN A 30 10.551 -3.343 6.086 1.00 0.00 C ATOM 179 C GLN A 30 9.277 -3.720 5.354 1.00 0.00 C ATOM 180 O GLN A 30 8.417 -2.883 5.082 1.00 0.00 O ATOM 181 CB GLN A 30 11.634 -2.989 5.064 1.00 0.00 C ATOM 182 CG GLN A 30 11.442 -1.589 4.512 1.00 0.00 C ATOM 183 CD GLN A 30 12.553 -1.131 3.594 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.701 -1.536 3.737 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.216 -0.275 2.646 1.00 0.00 N ATOM 0 H GLN A 30 11.810 -4.915 6.688 1.00 0.00 H new ATOM 0 HA GLN A 30 10.395 -2.466 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.616 -3.065 5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.613 -3.710 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.497 -1.550 3.970 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.361 -0.890 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.249 0.037 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.923 0.074 1.999 1.00 0.00 H new ATOM 194 N GLU A 31 9.167 -5.003 5.059 1.00 0.00 N ATOM 195 CA GLU A 31 7.999 -5.537 4.390 1.00 0.00 C ATOM 196 C GLU A 31 6.808 -5.614 5.359 1.00 0.00 C ATOM 197 O GLU A 31 5.661 -5.728 4.936 1.00 0.00 O ATOM 198 CB GLU A 31 8.340 -6.902 3.778 1.00 0.00 C ATOM 199 CG GLU A 31 7.156 -7.591 3.125 1.00 0.00 C ATOM 200 CD GLU A 31 7.539 -8.827 2.332 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.100 -9.766 2.933 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.311 -8.848 1.105 1.00 0.00 O ATOM 0 H GLU A 31 9.881 -5.698 5.276 1.00 0.00 H new ATOM 0 HA GLU A 31 7.702 -4.870 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.127 -6.771 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.741 -7.550 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.438 -7.871 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.654 -6.885 2.463 1.00 0.00 H new ATOM 209 N GLN A 32 7.083 -5.515 6.660 1.00 0.00 N ATOM 210 CA GLN A 32 6.027 -5.443 7.670 1.00 0.00 C ATOM 211 C GLN A 32 5.373 -4.067 7.640 1.00 0.00 C ATOM 212 O GLN A 32 4.154 -3.950 7.741 1.00 0.00 O ATOM 213 CB GLN A 32 6.586 -5.697 9.072 1.00 0.00 C ATOM 214 CG GLN A 32 7.191 -7.072 9.269 1.00 0.00 C ATOM 215 CD GLN A 32 7.753 -7.258 10.661 1.00 0.00 C ATOM 216 OE1 GLN A 32 7.285 -6.648 11.622 1.00 0.00 O ATOM 217 NE2 GLN A 32 8.756 -8.109 10.778 1.00 0.00 N ATOM 0 H GLN A 32 8.029 -5.483 7.039 1.00 0.00 H new ATOM 0 HA GLN A 32 5.291 -6.213 7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.346 -4.946 9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.786 -5.559 9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.431 -7.831 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.983 -7.226 8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.113 -8.593 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.174 -8.282 11.692 1.00 0.00 H new ATOM 226 N GLN A 33 6.189 -3.022 7.513 1.00 0.00 N ATOM 227 CA GLN A 33 5.656 -1.683 7.291 1.00 0.00 C ATOM 228 C GLN A 33 4.835 -1.701 6.023 1.00 0.00 C ATOM 229 O GLN A 33 3.734 -1.162 5.964 1.00 0.00 O ATOM 230 CB GLN A 33 6.767 -0.641 7.154 1.00 0.00 C ATOM 231 CG GLN A 33 6.247 0.732 6.765 1.00 0.00 C ATOM 232 CD GLN A 33 7.336 1.783 6.689 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.258 2.711 5.888 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.331 1.680 7.553 1.00 0.00 N ATOM 0 H GLN A 33 7.207 -3.076 7.559 1.00 0.00 H new ATOM 0 HA GLN A 33 5.048 -1.407 8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.305 -0.565 8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.483 -0.978 6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.748 0.664 5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.496 1.048 7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.362 0.895 8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.067 2.386 7.569 1.00 0.00 H new ATOM 243 N PHE A 34 5.388 -2.360 5.022 1.00 0.00 N ATOM 244 CA PHE A 34 4.723 -2.542 3.753 1.00 0.00 C ATOM 245 C PHE A 34 3.393 -3.260 3.965 1.00 0.00 C ATOM 246 O PHE A 34 2.396 -2.918 3.343 1.00 0.00 O ATOM 247 CB PHE A 34 5.636 -3.339 2.825 1.00 0.00 C ATOM 248 CG PHE A 34 5.159 -3.423 1.413 1.00 0.00 C ATOM 249 CD1 PHE A 34 5.287 -2.343 0.562 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.562 -4.581 0.941 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.831 -2.412 -0.734 1.00 0.00 C ATOM 252 CE2 PHE A 34 4.106 -4.657 -0.356 1.00 0.00 C ATOM 253 CZ PHE A 34 4.310 -3.586 -1.217 1.00 0.00 C ATOM 0 H PHE A 34 6.314 -2.784 5.070 1.00 0.00 H new ATOM 0 HA PHE A 34 4.514 -1.575 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.628 -2.886 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.743 -4.349 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.750 -1.434 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.453 -5.432 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.883 -1.542 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.594 -5.543 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.059 -3.677 -2.264 1.00 0.00 H new ATOM 263 N ARG A 35 3.394 -4.238 4.870 1.00 0.00 N ATOM 264 CA ARG A 35 2.179 -4.960 5.251 1.00 0.00 C ATOM 265 C ARG A 35 1.119 -4.001 5.780 1.00 0.00 C ATOM 266 O ARG A 35 -0.021 -4.015 5.332 1.00 0.00 O ATOM 267 CB ARG A 35 2.500 -5.992 6.338 1.00 0.00 C ATOM 268 CG ARG A 35 2.446 -7.436 5.877 1.00 0.00 C ATOM 269 CD ARG A 35 3.331 -7.684 4.674 1.00 0.00 C ATOM 270 NE ARG A 35 2.616 -8.387 3.605 1.00 0.00 N ATOM 271 CZ ARG A 35 3.068 -8.503 2.357 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.227 -7.958 2.020 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.358 -9.165 1.447 1.00 0.00 N ATOM 0 H ARG A 35 4.233 -4.552 5.358 1.00 0.00 H new ATOM 0 HA ARG A 35 1.795 -5.461 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.496 -5.787 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.799 -5.862 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.754 -8.088 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.417 -7.699 5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.705 -6.732 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.199 -8.270 4.976 1.00 0.00 H new ATOM 0 HE ARG A 35 1.717 -8.814 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.773 -7.450 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.574 -8.046 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.465 -9.585 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.707 -9.252 0.492 1.00 0.00 H new ATOM 287 N GLN A 36 1.512 -3.155 6.719 1.00 0.00 N ATOM 288 CA GLN A 36 0.590 -2.212 7.339 1.00 0.00 C ATOM 289 C GLN A 36 0.111 -1.184 6.332 1.00 0.00 C ATOM 290 O GLN A 36 -1.077 -0.872 6.262 1.00 0.00 O ATOM 291 CB GLN A 36 1.270 -1.496 8.503 1.00 0.00 C ATOM 292 CG GLN A 36 1.813 -2.430 9.567 1.00 0.00 C ATOM 293 CD GLN A 36 2.761 -1.729 10.520 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.643 -0.526 10.763 1.00 0.00 O ATOM 295 NE2 GLN A 36 3.716 -2.467 11.056 1.00 0.00 N ATOM 0 H GLN A 36 2.468 -3.101 7.071 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.268 -2.775 7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.088 -0.889 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.556 -0.813 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.983 -2.855 10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.332 -3.260 9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.781 -3.460 10.830 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.389 -2.044 11.696 1.00 0.00 H new ATOM 304 N LEU A 37 1.043 -0.682 5.543 1.00 0.00 N ATOM 305 CA LEU A 37 0.751 0.367 4.585 1.00 0.00 C ATOM 306 C LEU A 37 -0.154 -0.147 3.467 1.00 0.00 C ATOM 307 O LEU A 37 -0.847 0.629 2.815 1.00 0.00 O ATOM 308 CB LEU A 37 2.057 0.944 4.025 1.00 0.00 C ATOM 309 CG LEU A 37 2.972 1.610 5.058 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.191 2.222 4.386 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.219 2.659 5.861 1.00 0.00 C ATOM 0 H LEU A 37 2.016 -0.987 5.548 1.00 0.00 H new ATOM 0 HA LEU A 37 0.213 1.166 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.610 0.142 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.812 1.676 3.255 1.00 0.00 H new ATOM 0 HG LEU A 37 3.313 0.838 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.826 2.689 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.752 1.442 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.870 2.974 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.893 3.115 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.836 3.427 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.387 2.188 6.385 1.00 0.00 H new ATOM 323 N THR A 38 -0.149 -1.460 3.247 1.00 0.00 N ATOM 324 CA THR A 38 -1.032 -2.055 2.257 1.00 0.00 C ATOM 325 C THR A 38 -2.339 -2.547 2.886 1.00 0.00 C ATOM 326 O THR A 38 -3.349 -2.683 2.194 1.00 0.00 O ATOM 327 CB THR A 38 -0.366 -3.220 1.499 1.00 0.00 C ATOM 328 OG1 THR A 38 0.337 -4.076 2.402 1.00 0.00 O ATOM 329 CG2 THR A 38 0.576 -2.708 0.417 1.00 0.00 C ATOM 0 H THR A 38 0.451 -2.123 3.737 1.00 0.00 H new ATOM 0 HA THR A 38 -1.253 -1.261 1.544 1.00 0.00 H new ATOM 0 HB THR A 38 -1.157 -3.795 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.276 -3.799 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.030 -3.553 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.016 -2.104 -0.297 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.357 -2.099 0.873 1.00 0.00 H new ATOM 337 N GLU A 39 -2.325 -2.823 4.196 1.00 0.00 N ATOM 338 CA GLU A 39 -3.514 -3.339 4.867 1.00 0.00 C ATOM 339 C GLU A 39 -4.404 -2.227 5.404 1.00 0.00 C ATOM 340 O GLU A 39 -5.629 -2.346 5.382 1.00 0.00 O ATOM 341 CB GLU A 39 -3.157 -4.302 5.997 1.00 0.00 C ATOM 342 CG GLU A 39 -2.748 -5.682 5.509 1.00 0.00 C ATOM 343 CD GLU A 39 -3.130 -6.775 6.485 1.00 0.00 C ATOM 344 OE1 GLU A 39 -4.319 -7.148 6.536 1.00 0.00 O ATOM 345 OE2 GLU A 39 -2.234 -7.275 7.206 1.00 0.00 O ATOM 0 H GLU A 39 -1.513 -2.698 4.801 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.072 -3.884 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.343 -3.876 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.013 -4.400 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.218 -5.878 4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.670 -5.703 5.348 1.00 0.00 H new ATOM 352 N GLU A 40 -3.807 -1.147 5.891 1.00 0.00 N ATOM 353 CA GLU A 40 -4.588 -0.021 6.389 1.00 0.00 C ATOM 354 C GLU A 40 -4.962 0.916 5.246 1.00 0.00 C ATOM 355 O GLU A 40 -4.809 2.136 5.330 1.00 0.00 O ATOM 356 CB GLU A 40 -3.842 0.724 7.501 1.00 0.00 C ATOM 357 CG GLU A 40 -3.708 -0.088 8.780 1.00 0.00 C ATOM 358 CD GLU A 40 -3.366 0.766 9.984 1.00 0.00 C ATOM 359 OE1 GLU A 40 -4.219 1.566 10.421 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.233 0.651 10.493 1.00 0.00 O ATOM 0 H GLU A 40 -2.796 -1.026 5.952 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.509 -0.410 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.848 0.995 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.366 1.654 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.642 -0.617 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.935 -0.845 8.645 1.00 0.00 H new ATOM 367 N LEU A 41 -5.461 0.310 4.182 1.00 0.00 N ATOM 368 CA LEU A 41 -5.917 1.022 3.006 1.00 0.00 C ATOM 369 C LEU A 41 -7.184 0.355 2.492 1.00 0.00 C ATOM 370 O LEU A 41 -7.289 -0.871 2.497 1.00 0.00 O ATOM 371 CB LEU A 41 -4.821 1.026 1.930 1.00 0.00 C ATOM 372 CG LEU A 41 -5.255 1.482 0.534 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.935 2.838 0.595 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.056 1.525 -0.399 1.00 0.00 C ATOM 0 H LEU A 41 -5.561 -0.703 4.112 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.136 2.059 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.011 1.673 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.413 0.018 1.851 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.975 0.763 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.234 3.141 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.817 2.775 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.243 3.574 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.377 1.851 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.316 2.224 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.614 0.531 -0.469 1.00 0.00 H new ATOM 386 N ARG A 42 -8.148 1.150 2.055 1.00 0.00 N ATOM 387 CA ARG A 42 -9.420 0.600 1.637 1.00 0.00 C ATOM 388 C ARG A 42 -9.376 0.175 0.175 1.00 0.00 C ATOM 389 O ARG A 42 -9.305 1.013 -0.725 1.00 0.00 O ATOM 390 CB ARG A 42 -10.558 1.604 1.846 1.00 0.00 C ATOM 391 CG ARG A 42 -11.930 0.990 1.628 1.00 0.00 C ATOM 392 CD ARG A 42 -13.039 2.028 1.667 1.00 0.00 C ATOM 393 NE ARG A 42 -14.338 1.428 1.363 1.00 0.00 N ATOM 394 CZ ARG A 42 -15.461 1.683 2.030 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.488 2.614 2.976 1.00 0.00 N ATOM 396 NH2 ARG A 42 -16.572 1.022 1.730 1.00 0.00 N ATOM 0 H ARG A 42 -8.073 2.165 1.982 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.611 -0.276 2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.501 2.006 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.427 2.443 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.948 0.478 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.114 0.236 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.072 2.492 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.825 2.820 0.949 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.386 0.769 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.643 3.141 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.354 2.802 3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.564 0.320 0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.434 1.216 2.240 1.00 0.00 H new ATOM 410 N CYS A 43 -9.402 -1.130 -0.048 1.00 0.00 N ATOM 411 CA CYS A 43 -9.486 -1.668 -1.394 1.00 0.00 C ATOM 412 C CYS A 43 -10.941 -1.670 -1.862 1.00 0.00 C ATOM 413 O CYS A 43 -11.809 -2.269 -1.220 1.00 0.00 O ATOM 414 CB CYS A 43 -8.893 -3.079 -1.439 1.00 0.00 C ATOM 415 SG CYS A 43 -9.490 -4.177 -0.133 1.00 0.00 S ATOM 0 H CYS A 43 -9.366 -1.836 0.688 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.907 -1.038 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.121 -3.526 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.808 -3.007 -1.369 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.787 -5.271 -0.131 1.00 0.00 H new ATOM 421 N PRO A 44 -11.226 -0.974 -2.974 1.00 0.00 N ATOM 422 CA PRO A 44 -12.588 -0.811 -3.500 1.00 0.00 C ATOM 423 C PRO A 44 -13.183 -2.110 -4.035 1.00 0.00 C ATOM 424 O PRO A 44 -13.250 -2.326 -5.247 1.00 0.00 O ATOM 425 CB PRO A 44 -12.425 0.207 -4.637 1.00 0.00 C ATOM 426 CG PRO A 44 -11.071 0.800 -4.448 1.00 0.00 C ATOM 427 CD PRO A 44 -10.242 -0.272 -3.808 1.00 0.00 C ATOM 0 HA PRO A 44 -13.275 -0.491 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.510 -0.275 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.199 0.973 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.643 1.109 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.117 1.688 -3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.791 -0.933 -4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.428 0.144 -3.214 1.00 0.00 H new ATOM 435 N LYS A 45 -13.614 -2.966 -3.119 1.00 0.00 N ATOM 436 CA LYS A 45 -14.245 -4.227 -3.472 1.00 0.00 C ATOM 437 C LYS A 45 -14.958 -4.814 -2.265 1.00 0.00 C ATOM 438 O LYS A 45 -16.065 -5.344 -2.382 1.00 0.00 O ATOM 439 CB LYS A 45 -13.212 -5.227 -4.000 1.00 0.00 C ATOM 440 CG LYS A 45 -13.815 -6.551 -4.439 1.00 0.00 C ATOM 441 CD LYS A 45 -14.827 -6.361 -5.556 1.00 0.00 C ATOM 442 CE LYS A 45 -15.278 -7.694 -6.133 1.00 0.00 C ATOM 443 NZ LYS A 45 -14.260 -8.281 -7.045 1.00 0.00 N ATOM 0 H LYS A 45 -13.536 -2.806 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.973 -4.032 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.684 -4.781 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.471 -5.415 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.022 -7.219 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.297 -7.032 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.692 -5.817 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.388 -5.751 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.481 -8.391 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.214 -7.556 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.608 -9.188 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.085 -7.628 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.375 -8.437 -6.522 1.00 0.00 H new ATOM 457 N CYS A 46 -14.296 -4.725 -1.105 1.00 0.00 N ATOM 458 CA CYS A 46 -14.817 -5.251 0.164 1.00 0.00 C ATOM 459 C CYS A 46 -14.775 -6.779 0.196 1.00 0.00 C ATOM 460 O CYS A 46 -14.585 -7.384 1.249 1.00 0.00 O ATOM 461 CB CYS A 46 -16.239 -4.748 0.427 1.00 0.00 C ATOM 462 SG CYS A 46 -16.400 -2.946 0.361 1.00 0.00 S ATOM 0 H CYS A 46 -13.380 -4.284 -1.019 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.170 -4.880 0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.913 -5.191 -0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.562 -5.097 1.408 1.00 0.00 H new ATOM 0 HG CYS A 46 -17.635 -2.612 0.593 1.00 0.00 H new ATOM 468 N GLN A 47 -14.945 -7.394 -0.962 1.00 0.00 N ATOM 469 CA GLN A 47 -14.886 -8.841 -1.090 1.00 0.00 C ATOM 470 C GLN A 47 -13.501 -9.271 -1.539 1.00 0.00 C ATOM 471 O GLN A 47 -13.324 -10.287 -2.213 1.00 0.00 O ATOM 472 CB GLN A 47 -15.947 -9.304 -2.078 1.00 0.00 C ATOM 473 CG GLN A 47 -17.355 -8.961 -1.620 1.00 0.00 C ATOM 474 CD GLN A 47 -17.715 -9.636 -0.306 1.00 0.00 C ATOM 475 OE1 GLN A 47 -18.245 -10.746 -0.288 1.00 0.00 O ATOM 476 NE2 GLN A 47 -17.427 -8.970 0.801 1.00 0.00 N ATOM 0 H GLN A 47 -15.128 -6.906 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 47 -15.083 -9.302 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.761 -8.844 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -15.865 -10.382 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.445 -7.881 -1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.068 -9.262 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.987 -8.051 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.645 -9.375 1.711 1.00 0.00 H new ATOM 485 N ASN A 48 -12.527 -8.472 -1.149 1.00 0.00 N ATOM 486 CA ASN A 48 -11.134 -8.713 -1.467 1.00 0.00 C ATOM 487 C ASN A 48 -10.298 -8.221 -0.299 1.00 0.00 C ATOM 488 O ASN A 48 -10.705 -7.292 0.401 1.00 0.00 O ATOM 489 CB ASN A 48 -10.746 -7.973 -2.753 1.00 0.00 C ATOM 490 CG ASN A 48 -9.332 -8.284 -3.212 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.818 -9.380 -2.987 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.696 -7.324 -3.867 1.00 0.00 N ATOM 0 H ASN A 48 -12.683 -7.629 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.962 -9.777 -1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.446 -8.240 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.842 -6.899 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.746 -7.480 -4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.156 -6.429 -4.034 1.00 0.00 H new ATOM 499 N ASN A 49 -9.151 -8.838 -0.078 1.00 0.00 N ATOM 500 CA ASN A 49 -8.303 -8.467 1.043 1.00 0.00 C ATOM 501 C ASN A 49 -7.485 -7.230 0.699 1.00 0.00 C ATOM 502 O ASN A 49 -7.661 -6.637 -0.369 1.00 0.00 O ATOM 503 CB ASN A 49 -7.376 -9.623 1.452 1.00 0.00 C ATOM 504 CG ASN A 49 -6.343 -9.978 0.391 1.00 0.00 C ATOM 505 OD1 ASN A 49 -6.587 -9.852 -0.808 1.00 0.00 O ATOM 506 ND2 ASN A 49 -5.178 -10.428 0.833 1.00 0.00 N ATOM 0 H ASN A 49 -8.786 -9.595 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.949 -8.241 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.861 -9.356 2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.981 -10.504 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.446 -10.684 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.013 -10.519 1.836 1.00 0.00 H new ATOM 513 N SER A 50 -6.606 -6.836 1.605 1.00 0.00 N ATOM 514 CA SER A 50 -5.757 -5.675 1.397 1.00 0.00 C ATOM 515 C SER A 50 -4.839 -5.886 0.193 1.00 0.00 C ATOM 516 O SER A 50 -4.542 -7.024 -0.186 1.00 0.00 O ATOM 517 CB SER A 50 -4.933 -5.431 2.655 1.00 0.00 C ATOM 518 OG SER A 50 -5.757 -5.446 3.810 1.00 0.00 O ATOM 0 H SER A 50 -6.461 -7.307 2.498 1.00 0.00 H new ATOM 0 HA SER A 50 -6.381 -4.805 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.162 -6.196 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.423 -4.471 2.580 1.00 0.00 H new ATOM 0 HG SER A 50 -6.083 -4.540 3.991 1.00 0.00 H new ATOM 524 N ILE A 51 -4.376 -4.778 -0.388 1.00 0.00 N ATOM 525 CA ILE A 51 -3.590 -4.810 -1.625 1.00 0.00 C ATOM 526 C ILE A 51 -2.234 -5.478 -1.425 1.00 0.00 C ATOM 527 O ILE A 51 -1.461 -5.609 -2.373 1.00 0.00 O ATOM 528 CB ILE A 51 -3.364 -3.395 -2.202 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.628 -2.512 -1.194 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.693 -2.768 -2.596 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.062 -1.246 -1.796 1.00 0.00 C ATOM 0 H ILE A 51 -4.533 -3.840 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.177 -5.397 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.743 -3.480 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.313 -2.246 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.816 -3.085 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.519 -1.771 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.178 -3.387 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.336 -2.696 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.554 -0.670 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.352 -1.503 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.871 -0.651 -2.219 1.00 0.00 H new ATOM 543 N ALA A 52 -1.947 -5.876 -0.188 1.00 0.00 N ATOM 544 CA ALA A 52 -0.721 -6.591 0.136 1.00 0.00 C ATOM 545 C ALA A 52 -0.590 -7.852 -0.711 1.00 0.00 C ATOM 546 O ALA A 52 0.468 -8.126 -1.283 1.00 0.00 O ATOM 547 CB ALA A 52 -0.698 -6.952 1.616 1.00 0.00 C ATOM 0 H ALA A 52 -2.557 -5.712 0.613 1.00 0.00 H new ATOM 0 HA ALA A 52 0.124 -5.938 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.224 -7.486 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.748 -6.042 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.553 -7.587 1.849 1.00 0.00 H new ATOM 553 N ASP A 53 -1.679 -8.608 -0.789 1.00 0.00 N ATOM 554 CA ASP A 53 -1.708 -9.853 -1.545 1.00 0.00 C ATOM 555 C ASP A 53 -3.034 -9.978 -2.287 1.00 0.00 C ATOM 556 O ASP A 53 -3.847 -10.850 -1.984 1.00 0.00 O ATOM 557 CB ASP A 53 -1.512 -11.062 -0.615 1.00 0.00 C ATOM 558 CG ASP A 53 -0.135 -11.110 0.028 1.00 0.00 C ATOM 559 OD1 ASP A 53 0.799 -11.666 -0.590 1.00 0.00 O ATOM 560 OD2 ASP A 53 0.025 -10.584 1.151 1.00 0.00 O ATOM 0 H ASP A 53 -2.561 -8.377 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.891 -9.838 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.270 -11.036 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.672 -11.978 -1.183 1.00 0.00 H new ATOM 565 N SER A 54 -3.256 -9.086 -3.241 1.00 0.00 N ATOM 566 CA SER A 54 -4.481 -9.094 -4.029 1.00 0.00 C ATOM 567 C SER A 54 -4.241 -9.745 -5.388 1.00 0.00 C ATOM 568 O SER A 54 -5.190 -10.046 -6.117 1.00 0.00 O ATOM 569 CB SER A 54 -4.992 -7.667 -4.224 1.00 0.00 C ATOM 570 OG SER A 54 -5.189 -7.016 -2.983 1.00 0.00 O ATOM 0 H SER A 54 -2.601 -8.344 -3.489 1.00 0.00 H new ATOM 0 HA SER A 54 -5.231 -9.673 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.279 -7.102 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.930 -7.687 -4.779 1.00 0.00 H new ATOM 0 HG SER A 54 -4.806 -7.561 -2.264 1.00 0.00 H new ATOM 576 N ASN A 55 -2.961 -9.928 -5.728 1.00 0.00 N ATOM 577 CA ASN A 55 -2.548 -10.574 -6.983 1.00 0.00 C ATOM 578 C ASN A 55 -2.823 -9.688 -8.194 1.00 0.00 C ATOM 579 O ASN A 55 -2.585 -10.089 -9.331 1.00 0.00 O ATOM 580 CB ASN A 55 -3.239 -11.930 -7.171 1.00 0.00 C ATOM 581 CG ASN A 55 -2.833 -12.953 -6.127 1.00 0.00 C ATOM 582 OD1 ASN A 55 -1.716 -12.926 -5.610 1.00 0.00 O ATOM 583 ND2 ASN A 55 -3.737 -13.866 -5.809 1.00 0.00 N ATOM 0 H ASN A 55 -2.180 -9.633 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.472 -10.734 -6.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.319 -11.789 -7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.003 -12.317 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.518 -14.580 -5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.652 -13.856 -6.259 1.00 0.00 H new ATOM 590 N SER A 56 -3.318 -8.486 -7.952 1.00 0.00 N ATOM 591 CA SER A 56 -3.629 -7.562 -9.028 1.00 0.00 C ATOM 592 C SER A 56 -2.462 -6.617 -9.280 1.00 0.00 C ATOM 593 O SER A 56 -1.856 -6.088 -8.345 1.00 0.00 O ATOM 594 CB SER A 56 -4.886 -6.762 -8.697 1.00 0.00 C ATOM 595 OG SER A 56 -5.202 -5.853 -9.736 1.00 0.00 O ATOM 0 H SER A 56 -3.513 -8.127 -7.017 1.00 0.00 H new ATOM 0 HA SER A 56 -3.808 -8.143 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.722 -7.443 -8.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.738 -6.216 -7.765 1.00 0.00 H new ATOM 0 HG SER A 56 -6.012 -5.355 -9.500 1.00 0.00 H new ATOM 601 N MET A 57 -2.164 -6.415 -10.562 1.00 0.00 N ATOM 602 CA MET A 57 -1.100 -5.510 -10.993 1.00 0.00 C ATOM 603 C MET A 57 -1.348 -4.110 -10.466 1.00 0.00 C ATOM 604 O MET A 57 -0.419 -3.387 -10.123 1.00 0.00 O ATOM 605 CB MET A 57 -1.027 -5.436 -12.523 1.00 0.00 C ATOM 606 CG MET A 57 -1.433 -6.710 -13.230 1.00 0.00 C ATOM 607 SD MET A 57 -2.871 -6.476 -14.295 1.00 0.00 S ATOM 608 CE MET A 57 -4.167 -6.220 -13.082 1.00 0.00 C ATOM 0 H MET A 57 -2.653 -6.874 -11.331 1.00 0.00 H new ATOM 0 HA MET A 57 -0.162 -5.902 -10.598 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.668 -4.624 -12.866 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.008 -5.182 -12.814 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.597 -7.073 -13.827 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.654 -7.479 -12.490 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.047 -5.803 -13.572 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.426 -7.173 -12.620 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.817 -5.528 -12.316 1.00 0.00 H new ATOM 618 N ILE A 58 -2.619 -3.740 -10.402 1.00 0.00 N ATOM 619 CA ILE A 58 -3.003 -2.398 -10.004 1.00 0.00 C ATOM 620 C ILE A 58 -2.861 -2.242 -8.487 1.00 0.00 C ATOM 621 O ILE A 58 -2.594 -1.150 -7.985 1.00 0.00 O ATOM 622 CB ILE A 58 -4.435 -2.054 -10.512 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.512 -2.310 -9.455 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.739 -2.850 -11.778 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.695 -1.145 -8.510 1.00 0.00 C ATOM 0 H ILE A 58 -3.403 -4.355 -10.622 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.331 -1.678 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.454 -0.987 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.459 -2.521 -9.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.248 -3.199 -8.882 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.742 -2.606 -12.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.012 -2.597 -12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.681 -3.916 -11.560 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.471 -1.385 -7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.758 -0.949 -7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.988 -0.260 -9.075 1.00 0.00 H new ATOM 637 N ALA A 59 -3.026 -3.342 -7.757 1.00 0.00 N ATOM 638 CA ALA A 59 -2.754 -3.339 -6.326 1.00 0.00 C ATOM 639 C ALA A 59 -1.267 -3.103 -6.105 1.00 0.00 C ATOM 640 O ALA A 59 -0.863 -2.317 -5.250 1.00 0.00 O ATOM 641 CB ALA A 59 -3.185 -4.652 -5.687 1.00 0.00 C ATOM 0 H ALA A 59 -3.343 -4.237 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.326 -2.539 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.971 -4.624 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.255 -4.797 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.638 -5.476 -6.145 1.00 0.00 H new ATOM 647 N THR A 60 -0.463 -3.787 -6.908 1.00 0.00 N ATOM 648 CA THR A 60 0.976 -3.593 -6.918 1.00 0.00 C ATOM 649 C THR A 60 1.339 -2.157 -7.311 1.00 0.00 C ATOM 650 O THR A 60 2.292 -1.584 -6.781 1.00 0.00 O ATOM 651 CB THR A 60 1.637 -4.594 -7.881 1.00 0.00 C ATOM 652 OG1 THR A 60 1.416 -5.930 -7.400 1.00 0.00 O ATOM 653 CG2 THR A 60 3.126 -4.324 -8.012 1.00 0.00 C ATOM 0 H THR A 60 -0.792 -4.491 -7.569 1.00 0.00 H new ATOM 0 HA THR A 60 1.350 -3.769 -5.909 1.00 0.00 H new ATOM 0 HB THR A 60 1.189 -4.480 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.084 -6.532 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.568 -5.046 -8.699 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.281 -3.316 -8.397 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.600 -4.416 -7.035 1.00 0.00 H new ATOM 661 N ASP A 61 0.559 -1.587 -8.223 1.00 0.00 N ATOM 662 CA ASP A 61 0.729 -0.197 -8.653 1.00 0.00 C ATOM 663 C ASP A 61 0.789 0.730 -7.443 1.00 0.00 C ATOM 664 O ASP A 61 1.720 1.523 -7.286 1.00 0.00 O ATOM 665 CB ASP A 61 -0.455 0.216 -9.532 1.00 0.00 C ATOM 666 CG ASP A 61 -0.167 1.430 -10.388 1.00 0.00 C ATOM 667 OD1 ASP A 61 -0.065 2.542 -9.829 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.002 1.275 -11.614 1.00 0.00 O ATOM 0 H ASP A 61 -0.209 -2.072 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 61 1.660 -0.119 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.729 -0.619 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.316 0.423 -8.897 1.00 0.00 H new ATOM 673 N LEU A 62 -0.201 0.583 -6.571 1.00 0.00 N ATOM 674 CA LEU A 62 -0.300 1.385 -5.358 1.00 0.00 C ATOM 675 C LEU A 62 0.801 1.011 -4.376 1.00 0.00 C ATOM 676 O LEU A 62 1.350 1.868 -3.684 1.00 0.00 O ATOM 677 CB LEU A 62 -1.668 1.171 -4.703 1.00 0.00 C ATOM 678 CG LEU A 62 -2.870 1.297 -5.639 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.154 1.046 -4.871 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.897 2.668 -6.296 1.00 0.00 C ATOM 0 H LEU A 62 -0.956 -0.094 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.186 2.435 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.684 0.180 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.782 1.893 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.781 0.548 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.005 1.138 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.134 0.042 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.247 1.777 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.760 2.737 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.966 3.438 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.984 2.813 -6.874 1.00 0.00 H new ATOM 692 N ARG A 63 1.123 -0.277 -4.327 1.00 0.00 N ATOM 693 CA ARG A 63 2.151 -0.774 -3.420 1.00 0.00 C ATOM 694 C ARG A 63 3.503 -0.140 -3.710 1.00 0.00 C ATOM 695 O ARG A 63 4.303 0.077 -2.801 1.00 0.00 O ATOM 696 CB ARG A 63 2.273 -2.290 -3.511 1.00 0.00 C ATOM 697 CG ARG A 63 1.074 -3.028 -2.956 1.00 0.00 C ATOM 698 CD ARG A 63 1.403 -4.485 -2.696 1.00 0.00 C ATOM 699 NE ARG A 63 1.707 -5.219 -3.930 1.00 0.00 N ATOM 700 CZ ARG A 63 2.830 -5.918 -4.129 1.00 0.00 C ATOM 701 NH1 ARG A 63 3.715 -6.055 -3.150 1.00 0.00 N ATOM 702 NH2 ARG A 63 3.060 -6.492 -5.304 1.00 0.00 N ATOM 0 H ARG A 63 0.687 -0.996 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 63 1.846 -0.499 -2.410 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.413 -2.573 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.166 -2.607 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.748 -2.555 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.243 -2.959 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.256 -4.547 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.562 -4.960 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 63 1.019 -5.195 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.540 -5.626 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.570 -6.589 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.379 -6.401 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.917 -7.024 -5.452 1.00 0.00 H new ATOM 716 N GLN A 64 3.760 0.144 -4.980 1.00 0.00 N ATOM 717 CA GLN A 64 4.996 0.799 -5.369 1.00 0.00 C ATOM 718 C GLN A 64 5.065 2.197 -4.774 1.00 0.00 C ATOM 719 O GLN A 64 6.125 2.629 -4.325 1.00 0.00 O ATOM 720 CB GLN A 64 5.123 0.845 -6.888 1.00 0.00 C ATOM 721 CG GLN A 64 5.168 -0.538 -7.520 1.00 0.00 C ATOM 722 CD GLN A 64 5.345 -0.498 -9.024 1.00 0.00 C ATOM 723 OE1 GLN A 64 5.940 -1.404 -9.615 1.00 0.00 O ATOM 724 NE2 GLN A 64 4.824 0.543 -9.654 1.00 0.00 N ATOM 0 H GLN A 64 3.130 -0.069 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 64 5.834 0.221 -4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.281 1.401 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.028 1.391 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.987 -1.106 -7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.247 -1.070 -7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.340 1.269 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.906 0.619 -10.668 1.00 0.00 H new ATOM 733 N LYS A 65 3.926 2.886 -4.738 1.00 0.00 N ATOM 734 CA LYS A 65 3.850 4.197 -4.108 1.00 0.00 C ATOM 735 C LYS A 65 4.166 4.079 -2.624 1.00 0.00 C ATOM 736 O LYS A 65 4.916 4.885 -2.072 1.00 0.00 O ATOM 737 CB LYS A 65 2.463 4.812 -4.293 1.00 0.00 C ATOM 738 CG LYS A 65 2.319 6.210 -3.701 1.00 0.00 C ATOM 739 CD LYS A 65 2.874 7.278 -4.635 1.00 0.00 C ATOM 740 CE LYS A 65 4.356 7.506 -4.403 1.00 0.00 C ATOM 741 NZ LYS A 65 5.012 8.184 -5.553 1.00 0.00 N ATOM 0 H LYS A 65 3.047 2.557 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 65 4.583 4.848 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.235 4.855 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.722 4.157 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.267 6.413 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.841 6.256 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.709 6.979 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.333 8.212 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.492 8.108 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.844 6.548 -4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.766 8.809 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.421 7.470 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.308 8.747 -6.072 1.00 0.00 H new ATOM 755 N VAL A 66 3.587 3.060 -1.994 1.00 0.00 N ATOM 756 CA VAL A 66 3.855 2.744 -0.595 1.00 0.00 C ATOM 757 C VAL A 66 5.360 2.626 -0.335 1.00 0.00 C ATOM 758 O VAL A 66 5.855 3.076 0.701 1.00 0.00 O ATOM 759 CB VAL A 66 3.123 1.445 -0.172 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.669 0.926 1.142 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.629 1.705 -0.054 1.00 0.00 C ATOM 0 H VAL A 66 2.919 2.431 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 66 3.471 3.565 0.011 1.00 0.00 H new ATOM 0 HB VAL A 66 3.293 0.687 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.141 0.014 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.732 0.712 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.527 1.678 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.122 0.787 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.452 2.476 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.241 2.038 -1.016 1.00 0.00 H new ATOM 771 N TYR A 67 6.092 2.059 -1.289 1.00 0.00 N ATOM 772 CA TYR A 67 7.534 1.920 -1.142 1.00 0.00 C ATOM 773 C TYR A 67 8.253 3.249 -1.393 1.00 0.00 C ATOM 774 O TYR A 67 9.129 3.633 -0.618 1.00 0.00 O ATOM 775 CB TYR A 67 8.081 0.847 -2.078 1.00 0.00 C ATOM 776 CG TYR A 67 9.569 0.635 -1.918 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.084 -0.034 -0.815 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.456 1.086 -2.885 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.443 -0.246 -0.682 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.815 0.881 -2.757 1.00 0.00 C ATOM 781 CZ TYR A 67 12.305 0.276 -1.596 1.00 0.00 C ATOM 782 OH TYR A 67 13.657 0.001 -1.528 1.00 0.00 O ATOM 0 H TYR A 67 5.714 1.692 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 67 7.724 1.616 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.562 -0.093 -1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.867 1.127 -3.109 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.412 -0.394 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.077 1.606 -3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.821 -0.826 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.491 1.184 -3.543 1.00 0.00 H new ATOM 0 HH TYR A 67 13.809 -0.738 -0.902 1.00 0.00 H new ATOM 792 N GLU A 68 7.891 3.939 -2.477 1.00 0.00 N ATOM 793 CA GLU A 68 8.492 5.235 -2.803 1.00 0.00 C ATOM 794 C GLU A 68 8.371 6.200 -1.627 1.00 0.00 C ATOM 795 O GLU A 68 9.306 6.935 -1.304 1.00 0.00 O ATOM 796 CB GLU A 68 7.810 5.855 -4.022 1.00 0.00 C ATOM 797 CG GLU A 68 7.794 4.958 -5.243 1.00 0.00 C ATOM 798 CD GLU A 68 7.136 5.624 -6.432 1.00 0.00 C ATOM 799 OE1 GLU A 68 5.890 5.660 -6.491 1.00 0.00 O ATOM 800 OE2 GLU A 68 7.863 6.098 -7.329 1.00 0.00 O ATOM 0 H GLU A 68 7.186 3.623 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 68 9.545 5.062 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.784 6.112 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.317 6.786 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.816 4.682 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.265 4.035 -5.007 1.00 0.00 H new ATOM 807 N LEU A 69 7.213 6.175 -0.989 1.00 0.00 N ATOM 808 CA LEU A 69 6.929 7.037 0.145 1.00 0.00 C ATOM 809 C LEU A 69 7.817 6.690 1.344 1.00 0.00 C ATOM 810 O LEU A 69 8.156 7.563 2.146 1.00 0.00 O ATOM 811 CB LEU A 69 5.445 6.931 0.491 1.00 0.00 C ATOM 812 CG LEU A 69 4.505 7.546 -0.552 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.062 7.385 -0.124 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.817 9.019 -0.757 1.00 0.00 C ATOM 0 H LEU A 69 6.443 5.556 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 69 7.157 8.069 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.188 5.879 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.272 7.419 1.450 1.00 0.00 H new ATOM 0 HG LEU A 69 4.658 7.020 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.408 7.827 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.830 6.325 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.908 7.887 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.138 9.435 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.693 9.552 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.845 9.129 -1.103 1.00 0.00 H new ATOM 826 N MET A 70 8.211 5.425 1.458 1.00 0.00 N ATOM 827 CA MET A 70 9.165 5.012 2.493 1.00 0.00 C ATOM 828 C MET A 70 10.492 5.740 2.306 1.00 0.00 C ATOM 829 O MET A 70 11.098 6.217 3.268 1.00 0.00 O ATOM 830 CB MET A 70 9.435 3.504 2.447 1.00 0.00 C ATOM 831 CG MET A 70 8.237 2.630 2.760 1.00 0.00 C ATOM 832 SD MET A 70 8.653 0.877 2.702 1.00 0.00 S ATOM 833 CE MET A 70 7.031 0.162 2.920 1.00 0.00 C ATOM 0 H MET A 70 7.889 4.670 0.853 1.00 0.00 H new ATOM 0 HA MET A 70 8.721 5.264 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.805 3.246 1.455 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.231 3.271 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.853 2.880 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.439 2.838 2.047 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.956 -0.754 2.335 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.873 -0.067 3.974 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.273 0.870 2.585 1.00 0.00 H new ATOM 843 N GLN A 71 10.929 5.830 1.052 1.00 0.00 N ATOM 844 CA GLN A 71 12.204 6.457 0.720 1.00 0.00 C ATOM 845 C GLN A 71 12.108 7.944 0.977 1.00 0.00 C ATOM 846 O GLN A 71 13.027 8.562 1.514 1.00 0.00 O ATOM 847 CB GLN A 71 12.557 6.224 -0.749 1.00 0.00 C ATOM 848 CG GLN A 71 11.962 4.953 -1.315 1.00 0.00 C ATOM 849 CD GLN A 71 12.303 4.734 -2.778 1.00 0.00 C ATOM 850 OE1 GLN A 71 11.524 4.142 -3.525 1.00 0.00 O ATOM 851 NE2 GLN A 71 13.465 5.207 -3.202 1.00 0.00 N ATOM 0 H GLN A 71 10.415 5.474 0.246 1.00 0.00 H new ATOM 0 HA GLN A 71 12.983 6.015 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.209 7.073 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.641 6.187 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.318 4.102 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.878 4.985 -1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.085 5.693 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.740 5.086 -4.177 1.00 0.00 H new ATOM 860 N GLU A 72 10.971 8.504 0.589 1.00 0.00 N ATOM 861 CA GLU A 72 10.702 9.920 0.812 1.00 0.00 C ATOM 862 C GLU A 72 10.695 10.239 2.302 1.00 0.00 C ATOM 863 O GLU A 72 11.074 11.332 2.717 1.00 0.00 O ATOM 864 CB GLU A 72 9.371 10.339 0.186 1.00 0.00 C ATOM 865 CG GLU A 72 9.301 10.120 -1.312 1.00 0.00 C ATOM 866 CD GLU A 72 8.088 10.773 -1.939 1.00 0.00 C ATOM 867 OE1 GLU A 72 8.009 12.018 -1.922 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.212 10.047 -2.444 1.00 0.00 O ATOM 0 H GLU A 72 10.219 8.001 0.118 1.00 0.00 H new ATOM 0 HA GLU A 72 11.501 10.484 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.565 9.781 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.197 11.394 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.204 10.517 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.281 9.050 -1.519 1.00 0.00 H new ATOM 875 N GLY A 73 10.262 9.274 3.103 1.00 0.00 N ATOM 876 CA GLY A 73 10.281 9.446 4.538 1.00 0.00 C ATOM 877 C GLY A 73 8.917 9.793 5.077 1.00 0.00 C ATOM 878 O GLY A 73 8.793 10.526 6.059 1.00 0.00 O ATOM 0 H GLY A 73 9.899 8.376 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.636 8.530 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.987 10.234 4.801 1.00 0.00 H new ATOM 882 N LYS A 74 7.890 9.268 4.425 1.00 0.00 N ATOM 883 CA LYS A 74 6.517 9.525 4.825 1.00 0.00 C ATOM 884 C LYS A 74 6.184 8.732 6.079 1.00 0.00 C ATOM 885 O LYS A 74 6.832 7.732 6.392 1.00 0.00 O ATOM 886 CB LYS A 74 5.558 9.134 3.703 1.00 0.00 C ATOM 887 CG LYS A 74 5.971 9.659 2.338 1.00 0.00 C ATOM 888 CD LYS A 74 5.640 11.125 2.178 1.00 0.00 C ATOM 889 CE LYS A 74 6.389 11.745 1.019 1.00 0.00 C ATOM 890 NZ LYS A 74 6.255 13.223 1.007 1.00 0.00 N ATOM 0 H LYS A 74 7.984 8.658 3.613 1.00 0.00 H new ATOM 0 HA LYS A 74 6.408 10.590 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.488 8.047 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.562 9.508 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.042 9.511 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.467 9.085 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.567 11.241 2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.887 11.656 3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.443 11.476 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.011 11.338 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.781 13.613 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.251 13.480 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.639 13.614 1.891 1.00 0.00 H new ATOM 904 N SER A 75 5.176 9.191 6.784 1.00 0.00 N ATOM 905 CA SER A 75 4.693 8.508 7.970 1.00 0.00 C ATOM 906 C SER A 75 3.628 7.501 7.558 1.00 0.00 C ATOM 907 O SER A 75 3.146 7.554 6.435 1.00 0.00 O ATOM 908 CB SER A 75 4.138 9.527 8.965 1.00 0.00 C ATOM 909 OG SER A 75 5.107 10.523 9.266 1.00 0.00 O ATOM 0 H SER A 75 4.667 10.045 6.556 1.00 0.00 H new ATOM 0 HA SER A 75 5.509 7.976 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.245 9.996 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.836 9.019 9.881 1.00 0.00 H new ATOM 0 HG SER A 75 4.729 11.165 9.903 1.00 0.00 H new ATOM 915 N LYS A 76 3.266 6.595 8.445 1.00 0.00 N ATOM 916 CA LYS A 76 2.349 5.512 8.091 1.00 0.00 C ATOM 917 C LYS A 76 1.023 6.043 7.548 1.00 0.00 C ATOM 918 O LYS A 76 0.608 5.680 6.446 1.00 0.00 O ATOM 919 CB LYS A 76 2.125 4.593 9.287 1.00 0.00 C ATOM 920 CG LYS A 76 3.083 3.402 9.342 1.00 0.00 C ATOM 921 CD LYS A 76 4.549 3.803 9.491 1.00 0.00 C ATOM 922 CE LYS A 76 5.192 4.137 8.154 1.00 0.00 C ATOM 923 NZ LYS A 76 6.648 4.421 8.285 1.00 0.00 N ATOM 0 H LYS A 76 3.587 6.581 9.413 1.00 0.00 H new ATOM 0 HA LYS A 76 2.811 4.934 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.230 5.174 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.101 4.222 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.804 2.760 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.967 2.811 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.622 4.666 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.100 2.990 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.046 3.305 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.693 5.003 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.102 4.342 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.782 5.384 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.078 3.736 8.938 1.00 0.00 H new ATOM 937 N LYS A 77 0.374 6.912 8.307 1.00 0.00 N ATOM 938 CA LYS A 77 -0.872 7.529 7.858 1.00 0.00 C ATOM 939 C LYS A 77 -0.593 8.462 6.692 1.00 0.00 C ATOM 940 O LYS A 77 -1.429 8.644 5.815 1.00 0.00 O ATOM 941 CB LYS A 77 -1.540 8.295 8.998 1.00 0.00 C ATOM 942 CG LYS A 77 -1.597 7.505 10.292 1.00 0.00 C ATOM 943 CD LYS A 77 -2.251 6.146 10.090 1.00 0.00 C ATOM 944 CE LYS A 77 -2.354 5.366 11.392 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.840 3.982 11.164 1.00 0.00 N ATOM 0 H LYS A 77 0.684 7.207 9.233 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.552 6.742 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.997 9.225 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.553 8.567 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.588 7.370 10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.154 8.070 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.247 6.282 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.674 5.570 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.378 5.334 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.031 5.882 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.898 3.480 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.782 4.013 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.181 3.482 10.534 1.00 0.00 H new ATOM 959 N GLU A 78 0.595 9.041 6.695 1.00 0.00 N ATOM 960 CA GLU A 78 1.031 9.912 5.610 1.00 0.00 C ATOM 961 C GLU A 78 1.106 9.145 4.288 1.00 0.00 C ATOM 962 O GLU A 78 0.744 9.675 3.240 1.00 0.00 O ATOM 963 CB GLU A 78 2.392 10.533 5.940 1.00 0.00 C ATOM 964 CG GLU A 78 2.937 11.455 4.862 1.00 0.00 C ATOM 965 CD GLU A 78 2.055 12.661 4.629 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.475 13.174 5.609 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.961 13.126 3.475 1.00 0.00 O ATOM 0 H GLU A 78 1.281 8.924 7.441 1.00 0.00 H new ATOM 0 HA GLU A 78 0.296 10.710 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.306 11.093 6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.111 9.732 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.935 11.789 5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.039 10.898 3.930 1.00 0.00 H new ATOM 974 N ILE A 79 1.574 7.900 4.338 1.00 0.00 N ATOM 975 CA ILE A 79 1.656 7.070 3.142 1.00 0.00 C ATOM 976 C ILE A 79 0.268 6.866 2.528 1.00 0.00 C ATOM 977 O ILE A 79 0.056 7.135 1.345 1.00 0.00 O ATOM 978 CB ILE A 79 2.314 5.687 3.420 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.825 5.732 3.171 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.681 4.594 2.568 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.664 5.854 4.423 1.00 0.00 C ATOM 0 H ILE A 79 1.901 7.446 5.191 1.00 0.00 H new ATOM 0 HA ILE A 79 2.293 7.604 2.437 1.00 0.00 H new ATOM 0 HB ILE A 79 2.141 5.453 4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.120 4.828 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.048 6.575 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.161 3.640 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.617 4.525 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.811 4.834 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.720 5.879 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.402 6.773 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.476 4.999 5.072 1.00 0.00 H new ATOM 993 N VAL A 80 -0.679 6.415 3.343 1.00 0.00 N ATOM 994 CA VAL A 80 -2.033 6.162 2.867 1.00 0.00 C ATOM 995 C VAL A 80 -2.731 7.473 2.499 1.00 0.00 C ATOM 996 O VAL A 80 -3.521 7.530 1.554 1.00 0.00 O ATOM 997 CB VAL A 80 -2.863 5.352 3.897 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.702 5.905 5.300 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.324 5.340 3.509 1.00 0.00 C ATOM 0 H VAL A 80 -0.534 6.218 4.333 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.958 5.552 1.967 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.485 4.330 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.298 5.313 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.653 5.859 5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.040 6.941 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.891 4.767 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.700 6.362 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.436 4.882 2.526 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.409 8.529 3.229 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.942 9.853 2.932 1.00 0.00 C ATOM 1011 C ASP A 81 -2.427 10.326 1.579 1.00 0.00 C ATOM 1012 O ASP A 81 -3.155 10.939 0.800 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.546 10.846 4.025 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.010 12.261 3.737 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.177 12.585 4.045 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.217 13.051 3.182 1.00 0.00 O ATOM 0 H ASP A 81 -1.781 8.497 4.032 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.030 9.794 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.967 10.518 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.462 10.841 4.137 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.172 10.009 1.299 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.564 10.331 0.015 1.00 0.00 C ATOM 1023 C TYR A 82 -1.264 9.544 -1.081 1.00 0.00 C ATOM 1024 O TYR A 82 -1.499 10.049 -2.184 1.00 0.00 O ATOM 1025 CB TYR A 82 0.922 9.973 0.013 1.00 0.00 C ATOM 1026 CG TYR A 82 1.714 10.670 -1.073 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.802 10.127 -2.350 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.377 11.864 -0.823 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.528 10.754 -3.344 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.106 12.497 -1.812 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.179 11.937 -3.072 1.00 0.00 C ATOM 1032 OH TYR A 82 3.902 12.561 -4.067 1.00 0.00 O ATOM 0 H TYR A 82 -0.551 9.526 1.948 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.668 11.402 -0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.349 10.228 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.027 8.895 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.294 9.199 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.322 12.306 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.585 10.318 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.616 13.425 -1.600 1.00 0.00 H new ATOM 0 HH TYR A 82 4.300 13.385 -3.715 1.00 0.00 H new ATOM 1042 N MET A 83 -1.583 8.295 -0.759 1.00 0.00 N ATOM 1043 CA MET A 83 -2.297 7.420 -1.673 1.00 0.00 C ATOM 1044 C MET A 83 -3.622 8.042 -2.079 1.00 0.00 C ATOM 1045 O MET A 83 -3.911 8.156 -3.260 1.00 0.00 O ATOM 1046 CB MET A 83 -2.539 6.045 -1.037 1.00 0.00 C ATOM 1047 CG MET A 83 -1.275 5.225 -0.823 1.00 0.00 C ATOM 1048 SD MET A 83 -1.174 3.790 -1.910 1.00 0.00 S ATOM 1049 CE MET A 83 -1.151 4.576 -3.516 1.00 0.00 C ATOM 0 H MET A 83 -1.354 7.866 0.138 1.00 0.00 H new ATOM 0 HA MET A 83 -1.680 7.288 -2.562 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.035 6.184 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.223 5.480 -1.670 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.404 5.860 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.236 4.892 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.585 3.960 -4.215 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.172 4.691 -3.879 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.682 5.557 -3.435 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.422 8.459 -1.105 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.731 9.037 -1.409 1.00 0.00 C ATOM 1061 C VAL A 84 -5.589 10.415 -2.042 1.00 0.00 C ATOM 1062 O VAL A 84 -6.440 10.839 -2.823 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.654 9.133 -0.169 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.729 7.801 0.549 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.221 10.243 0.777 1.00 0.00 C ATOM 0 H VAL A 84 -4.195 8.410 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.200 8.354 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.653 9.387 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.383 7.892 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.127 7.045 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.731 7.507 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.895 10.275 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.205 10.051 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.252 11.199 0.254 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.522 11.115 -1.695 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.278 12.442 -2.227 1.00 0.00 C ATOM 1077 C ALA A 85 -4.074 12.393 -3.742 1.00 0.00 C ATOM 1078 O ALA A 85 -4.657 13.182 -4.487 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.070 13.061 -1.542 1.00 0.00 C ATOM 0 H ALA A 85 -3.809 10.784 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.152 13.063 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.893 14.057 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.256 13.133 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.193 12.437 -1.717 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.260 11.445 -4.193 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.945 11.312 -5.616 1.00 0.00 C ATOM 1087 C ARG A 86 -3.829 10.265 -6.288 1.00 0.00 C ATOM 1088 O ARG A 86 -4.499 10.541 -7.278 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.471 10.938 -5.809 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.521 12.121 -5.839 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.374 12.748 -4.468 1.00 0.00 C ATOM 1092 NE ARG A 86 0.540 13.887 -4.485 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.680 14.752 -3.481 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.074 14.646 -2.392 1.00 0.00 N ATOM 1095 NH2 ARG A 86 1.572 15.728 -3.568 1.00 0.00 N ATOM 0 H ARG A 86 -2.804 10.755 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.137 12.278 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.171 10.267 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.369 10.382 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.455 11.796 -6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.888 12.867 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.351 13.072 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.009 12.000 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 86 1.108 14.030 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.765 13.899 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.038 15.311 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.151 15.817 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.680 16.390 -2.800 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.839 9.070 -5.722 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.541 7.930 -6.303 1.00 0.00 C ATOM 1111 C TYR A 87 -5.943 7.809 -5.723 1.00 0.00 C ATOM 1112 O TYR A 87 -6.474 6.710 -5.594 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.764 6.641 -6.022 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.343 6.648 -6.538 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.311 7.177 -5.774 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -2.030 6.122 -7.784 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.011 7.182 -6.235 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.728 6.124 -8.253 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.275 6.658 -7.474 1.00 0.00 C ATOM 1120 OH TYR A 87 1.574 6.662 -7.930 1.00 0.00 O ATOM 0 H TYR A 87 -3.361 8.859 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.616 8.087 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.747 6.468 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.298 5.803 -6.471 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.530 7.592 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.815 5.705 -8.397 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.779 7.596 -5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.500 5.709 -9.224 1.00 0.00 H new ATOM 0 HH TYR A 87 1.609 6.256 -8.821 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.555 8.938 -5.398 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.842 8.912 -4.730 1.00 0.00 C ATOM 1132 C GLY A 88 -8.979 8.486 -5.638 1.00 0.00 C ATOM 1133 O GLY A 88 -10.132 8.434 -5.214 1.00 0.00 O ATOM 0 H GLY A 88 -6.185 9.870 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.789 8.231 -3.881 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.057 9.903 -4.331 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.662 8.195 -6.891 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.643 7.639 -7.810 1.00 0.00 C ATOM 1139 C ASN A 89 -9.561 6.121 -7.805 1.00 0.00 C ATOM 1140 O ASN A 89 -10.380 5.436 -8.416 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.430 8.173 -9.230 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.794 9.639 -9.362 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -10.941 9.979 -9.650 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -8.821 10.518 -9.174 1.00 0.00 N ATOM 0 H ASN A 89 -7.735 8.334 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.635 7.945 -7.476 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.387 8.034 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.030 7.589 -9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.010 11.516 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.883 10.197 -8.936 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.565 5.603 -7.101 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.340 4.167 -7.033 1.00 0.00 C ATOM 1153 C PHE A 90 -8.310 3.688 -5.584 1.00 0.00 C ATOM 1154 O PHE A 90 -8.694 2.559 -5.292 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.019 3.800 -7.717 1.00 0.00 C ATOM 1156 CG PHE A 90 -6.947 4.209 -9.159 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.472 3.397 -10.149 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.353 5.406 -9.524 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.406 3.769 -11.476 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.285 5.783 -10.850 1.00 0.00 C ATOM 1161 CZ PHE A 90 -6.812 4.964 -11.827 1.00 0.00 C ATOM 0 H PHE A 90 -7.897 6.159 -6.567 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.164 3.676 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.198 4.269 -7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.872 2.722 -7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.939 2.461 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.939 6.051 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.819 3.126 -12.239 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.819 6.719 -11.123 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.760 5.258 -12.865 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.858 4.551 -4.684 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.671 4.176 -3.287 1.00 0.00 C ATOM 1173 C VAL A 91 -8.626 4.959 -2.384 1.00 0.00 C ATOM 1174 O VAL A 91 -9.283 5.898 -2.837 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.209 4.429 -2.837 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.258 4.342 -4.015 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.063 5.777 -2.164 1.00 0.00 C ATOM 0 H VAL A 91 -7.613 5.518 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.889 3.112 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.955 3.652 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.239 4.523 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.321 3.349 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.530 5.091 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.026 5.922 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.351 6.564 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.707 5.817 -1.285 1.00 0.00 H new ATOM 1187 N THR A 92 -8.703 4.574 -1.111 1.00 0.00 N ATOM 1188 CA THR A 92 -9.512 5.298 -0.140 1.00 0.00 C ATOM 1189 C THR A 92 -8.974 5.103 1.279 1.00 0.00 C ATOM 1190 O THR A 92 -8.567 4.005 1.654 1.00 0.00 O ATOM 1191 CB THR A 92 -10.989 4.840 -0.202 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.529 5.066 -1.511 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.836 5.570 0.825 1.00 0.00 C ATOM 0 H THR A 92 -8.214 3.764 -0.731 1.00 0.00 H new ATOM 0 HA THR A 92 -9.458 6.357 -0.394 1.00 0.00 H new ATOM 0 HB THR A 92 -11.012 3.774 0.022 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.858 5.511 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.868 5.226 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.452 5.367 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.797 6.642 0.633 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.961 6.180 2.056 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.500 6.129 3.435 1.00 0.00 C ATOM 1203 C TYR A 93 -9.680 5.800 4.341 1.00 0.00 C ATOM 1204 O TYR A 93 -10.535 6.646 4.604 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.853 7.475 3.798 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.445 7.636 5.245 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.373 6.928 5.772 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -8.116 8.522 6.078 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.979 7.100 7.084 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -7.731 8.695 7.393 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.661 7.983 7.891 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.262 8.161 9.194 1.00 0.00 O ATOM 0 H TYR A 93 -9.267 7.104 1.750 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.749 5.350 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.971 7.614 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.551 8.273 3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.838 6.231 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.953 9.085 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.140 6.544 7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -8.266 9.385 8.028 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.846 8.818 9.628 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.715 4.556 4.793 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.832 4.035 5.576 1.00 0.00 C ATOM 1224 C ASP A 94 -10.390 2.812 6.360 1.00 0.00 C ATOM 1225 O ASP A 94 -9.388 2.185 6.016 1.00 0.00 O ATOM 1226 CB ASP A 94 -11.988 3.627 4.653 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.133 4.620 4.635 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.343 5.309 5.659 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.806 4.750 3.593 1.00 0.00 O ATOM 0 H ASP A 94 -8.972 3.877 4.629 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.164 4.818 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.607 3.507 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.367 2.655 4.968 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.124 2.463 7.428 1.00 0.00 N ATOM 1235 CA PRO A 95 -10.960 1.177 8.105 1.00 0.00 C ATOM 1236 C PRO A 95 -11.300 0.028 7.158 1.00 0.00 C ATOM 1237 O PRO A 95 -12.307 0.082 6.445 1.00 0.00 O ATOM 1238 CB PRO A 95 -11.966 1.238 9.263 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.936 2.303 8.879 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.153 3.296 8.070 1.00 0.00 C ATOM 0 HA PRO A 95 -9.938 1.005 8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.467 0.280 9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.470 1.477 10.204 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.761 1.890 8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.370 2.773 9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.780 3.801 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.712 4.070 8.698 1.00 0.00 H new