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 77 LYS NZ :NH3+ 140:sc= 1.27 (180deg=0.736) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= -1.79! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 147:sc= -1.82 (180deg=-3.04!) USER MOD Set 3.1: A 43 CYS SG : rot 172:sc= -1.78! USER MOD Set 3.2: A 48 ASN : amide:sc= 1.05 X(o=0.034,f=-0.092) USER MOD Set 3.3: A 54 SER OG : rot -152:sc= 0.762 USER MOD Single : A 24 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.1) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= -0.195 (180deg=-0.634) USER MOD Single : A 30 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8!) USER MOD Single : A 32 GLN : amide:sc= -0.608 K(o=-0.61,f=-4.3!) USER MOD Single : A 33 GLN : amide:sc= -4.23! K(o=-4.2!,f=-1.9) USER MOD Single : A 36 GLN : amide:sc=-0.00465 K(o=-0.0046,f=-0.9) USER MOD Single : A 38 THR OG1 : rot -69:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0158 USER MOD Single : A 47 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.21) USER MOD Single : A 49 ASN : amide:sc= -0.0027 X(o=-0.0027,f=-0.28) USER MOD Single : A 50 SER OG : rot -92:sc= 1.04 USER MOD Single : A 55 ASN : amide:sc=-0.00326 K(o=-0.0033,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 64 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.034) USER MOD Single : A 65 LYS NZ :NH3+ 133:sc= 1.28 (180deg=-0.237) USER MOD Single : A 67 TYR OH : rot 85:sc= 0.315 USER MOD Single : A 70 MET CE :methyl -105:sc= -1.77 (180deg=-4.96!) USER MOD Single : A 71 GLN : amide:sc= -0.0214 X(o=-0.021,f=-0.46) 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 156:sc= -2.84 (180deg=-3.91!) USER MOD Single : A 87 TYR OH : rot 150:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.4!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.114 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 12.656 -3.525 -7.483 1.00 0.00 N ATOM 47 CA VAL A 22 13.484 -2.648 -6.666 1.00 0.00 C ATOM 48 C VAL A 22 12.825 -2.467 -5.301 1.00 0.00 C ATOM 49 O VAL A 22 13.448 -2.027 -4.334 1.00 0.00 O ATOM 50 CB VAL A 22 13.680 -1.266 -7.339 1.00 0.00 C ATOM 51 CG1 VAL A 22 12.374 -0.485 -7.389 1.00 0.00 C ATOM 52 CG2 VAL A 22 14.753 -0.463 -6.625 1.00 0.00 C ATOM 0 HA VAL A 22 14.466 -3.107 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 22 14.006 -1.442 -8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.545 0.480 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.636 -1.047 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.005 -0.328 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.872 0.503 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.461 -0.308 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.697 -1.006 -6.659 1.00 0.00 H new ATOM 62 N LEU A 23 11.549 -2.837 -5.247 1.00 0.00 N ATOM 63 CA LEU A 23 10.754 -2.747 -4.033 1.00 0.00 C ATOM 64 C LEU A 23 11.235 -3.782 -3.018 1.00 0.00 C ATOM 65 O LEU A 23 10.661 -4.863 -2.895 1.00 0.00 O ATOM 66 CB LEU A 23 9.271 -2.980 -4.354 1.00 0.00 C ATOM 67 CG LEU A 23 8.798 -2.460 -5.718 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.316 -2.728 -5.902 1.00 0.00 C ATOM 69 CD2 LEU A 23 9.102 -0.977 -5.885 1.00 0.00 C ATOM 0 H LEU A 23 11.038 -3.208 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 23 10.871 -1.750 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.071 -4.050 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.671 -2.507 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 23 9.348 -2.998 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.996 -2.353 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.131 -3.801 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.755 -2.223 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.754 -0.642 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.593 -0.411 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.177 -0.815 -5.808 1.00 0.00 H new ATOM 81 N GLN A 24 12.306 -3.452 -2.318 1.00 0.00 N ATOM 82 CA GLN A 24 12.904 -4.359 -1.355 1.00 0.00 C ATOM 83 C GLN A 24 12.665 -3.874 0.063 1.00 0.00 C ATOM 84 O GLN A 24 12.643 -2.671 0.322 1.00 0.00 O ATOM 85 CB GLN A 24 14.404 -4.491 -1.612 1.00 0.00 C ATOM 86 CG GLN A 24 14.744 -5.129 -2.945 1.00 0.00 C ATOM 87 CD GLN A 24 14.268 -6.565 -3.039 1.00 0.00 C ATOM 88 OE1 GLN A 24 14.985 -7.491 -2.667 1.00 0.00 O ATOM 89 NE2 GLN A 24 13.057 -6.759 -3.537 1.00 0.00 N ATOM 0 H GLN A 24 12.783 -2.554 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 24 12.434 -5.336 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.859 -3.502 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 24 14.849 -5.083 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.293 -4.547 -3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.823 -5.097 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.494 -5.962 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.687 -7.705 -3.623 1.00 0.00 H new ATOM 98 N PHE A 25 12.468 -4.816 0.968 1.00 0.00 N ATOM 99 CA PHE A 25 12.324 -4.507 2.380 1.00 0.00 C ATOM 100 C PHE A 25 13.628 -4.824 3.082 1.00 0.00 C ATOM 101 O PHE A 25 14.193 -5.904 2.913 1.00 0.00 O ATOM 102 CB PHE A 25 11.166 -5.304 2.991 1.00 0.00 C ATOM 103 CG PHE A 25 9.940 -5.320 2.123 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.193 -4.168 1.930 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.543 -6.487 1.492 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.073 -4.183 1.122 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.423 -6.507 0.684 1.00 0.00 C ATOM 108 CZ PHE A 25 7.687 -5.354 0.499 1.00 0.00 C ATOM 0 H PHE A 25 12.404 -5.810 0.748 1.00 0.00 H new ATOM 0 HA PHE A 25 12.094 -3.449 2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.492 -6.329 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.911 -4.878 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.490 -3.250 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.116 -7.392 1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.499 -3.280 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.123 -7.424 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.811 -5.367 -0.132 1.00 0.00 H new ATOM 118 N LYS A 26 14.102 -3.847 3.841 1.00 0.00 N ATOM 119 CA LYS A 26 15.361 -3.926 4.555 1.00 0.00 C ATOM 120 C LYS A 26 15.409 -5.153 5.460 1.00 0.00 C ATOM 121 O LYS A 26 16.468 -5.739 5.682 1.00 0.00 O ATOM 122 CB LYS A 26 15.524 -2.629 5.352 1.00 0.00 C ATOM 123 CG LYS A 26 16.272 -2.772 6.660 1.00 0.00 C ATOM 124 CD LYS A 26 15.361 -2.447 7.830 1.00 0.00 C ATOM 125 CE LYS A 26 15.079 -0.959 7.962 1.00 0.00 C ATOM 126 NZ LYS A 26 16.320 -0.139 7.918 1.00 0.00 N ATOM 0 H LYS A 26 13.612 -2.963 3.978 1.00 0.00 H new ATOM 0 HA LYS A 26 16.187 -4.036 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.045 -1.901 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.535 -2.221 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.653 -3.789 6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.135 -2.106 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.419 -2.981 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.818 -2.809 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.412 -0.646 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.557 -0.773 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.118 0.816 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.051 -0.583 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.660 -0.076 6.937 1.00 0.00 H new ATOM 140 N ASP A 27 14.249 -5.531 5.962 1.00 0.00 N ATOM 141 CA ASP A 27 14.100 -6.701 6.809 1.00 0.00 C ATOM 142 C ASP A 27 12.633 -7.097 6.845 1.00 0.00 C ATOM 143 O ASP A 27 11.864 -6.689 5.971 1.00 0.00 O ATOM 144 CB ASP A 27 14.615 -6.425 8.227 1.00 0.00 C ATOM 145 CG ASP A 27 14.024 -5.176 8.855 1.00 0.00 C ATOM 146 OD1 ASP A 27 13.003 -4.662 8.351 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.596 -4.687 9.854 1.00 0.00 O ATOM 0 H ASP A 27 13.376 -5.031 5.793 1.00 0.00 H new ATOM 0 HA ASP A 27 14.693 -7.518 6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.388 -7.282 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.700 -6.329 8.198 1.00 0.00 H new ATOM 152 N GLU A 28 12.232 -7.875 7.835 1.00 0.00 N ATOM 153 CA GLU A 28 10.829 -8.228 7.973 1.00 0.00 C ATOM 154 C GLU A 28 10.056 -7.024 8.490 1.00 0.00 C ATOM 155 O GLU A 28 8.886 -6.848 8.175 1.00 0.00 O ATOM 156 CB GLU A 28 10.630 -9.432 8.907 1.00 0.00 C ATOM 157 CG GLU A 28 11.028 -9.187 10.357 1.00 0.00 C ATOM 158 CD GLU A 28 12.525 -9.183 10.571 1.00 0.00 C ATOM 159 OE1 GLU A 28 13.142 -8.109 10.460 1.00 0.00 O ATOM 160 OE2 GLU A 28 13.091 -10.260 10.854 1.00 0.00 O ATOM 0 H GLU A 28 12.847 -8.270 8.546 1.00 0.00 H new ATOM 0 HA GLU A 28 10.452 -8.517 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.581 -9.728 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.209 -10.272 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.618 -8.231 10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.580 -9.957 10.985 1.00 0.00 H new ATOM 167 N ALA A 29 10.737 -6.178 9.253 1.00 0.00 N ATOM 168 CA ALA A 29 10.122 -4.991 9.832 1.00 0.00 C ATOM 169 C ALA A 29 9.708 -3.997 8.752 1.00 0.00 C ATOM 170 O ALA A 29 8.644 -3.385 8.841 1.00 0.00 O ATOM 171 CB ALA A 29 11.065 -4.326 10.818 1.00 0.00 C ATOM 0 H ALA A 29 11.723 -6.294 9.486 1.00 0.00 H new ATOM 0 HA ALA A 29 9.225 -5.311 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.587 -3.442 11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.305 -5.025 11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.981 -4.033 10.305 1.00 0.00 H new ATOM 177 N GLN A 30 10.545 -3.831 7.728 1.00 0.00 N ATOM 178 CA GLN A 30 10.198 -2.952 6.619 1.00 0.00 C ATOM 179 C GLN A 30 8.988 -3.522 5.891 1.00 0.00 C ATOM 180 O GLN A 30 8.175 -2.795 5.321 1.00 0.00 O ATOM 181 CB GLN A 30 11.353 -2.783 5.622 1.00 0.00 C ATOM 182 CG GLN A 30 11.312 -1.432 4.934 1.00 0.00 C ATOM 183 CD GLN A 30 12.092 -1.379 3.641 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.292 -1.127 3.635 1.00 0.00 O ATOM 185 NE2 GLN A 30 11.403 -1.582 2.533 1.00 0.00 N ATOM 0 H GLN A 30 11.454 -4.287 7.646 1.00 0.00 H new ATOM 0 HA GLN A 30 9.976 -1.969 7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.303 -2.896 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.305 -3.574 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.274 -1.170 4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.704 -0.677 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.406 -1.789 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.868 -1.532 1.627 1.00 0.00 H new ATOM 194 N GLU A 31 8.881 -4.837 5.936 1.00 0.00 N ATOM 195 CA GLU A 31 7.769 -5.545 5.337 1.00 0.00 C ATOM 196 C GLU A 31 6.535 -5.455 6.240 1.00 0.00 C ATOM 197 O GLU A 31 5.405 -5.529 5.768 1.00 0.00 O ATOM 198 CB GLU A 31 8.176 -6.995 5.087 1.00 0.00 C ATOM 199 CG GLU A 31 7.068 -7.872 4.537 1.00 0.00 C ATOM 200 CD GLU A 31 7.504 -9.310 4.382 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.068 -9.654 3.325 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.284 -10.103 5.320 1.00 0.00 O ATOM 0 H GLU A 31 9.564 -5.443 6.390 1.00 0.00 H new ATOM 0 HA GLU A 31 7.509 -5.088 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.014 -7.009 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.533 -7.426 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.206 -7.825 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.746 -7.485 3.570 1.00 0.00 H new ATOM 209 N GLN A 32 6.763 -5.279 7.539 1.00 0.00 N ATOM 210 CA GLN A 32 5.683 -5.026 8.488 1.00 0.00 C ATOM 211 C GLN A 32 5.130 -3.621 8.271 1.00 0.00 C ATOM 212 O GLN A 32 3.938 -3.372 8.446 1.00 0.00 O ATOM 213 CB GLN A 32 6.185 -5.149 9.926 1.00 0.00 C ATOM 214 CG GLN A 32 6.761 -6.511 10.269 1.00 0.00 C ATOM 215 CD GLN A 32 7.100 -6.649 11.737 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.218 -6.355 12.159 1.00 0.00 O ATOM 217 NE2 GLN A 32 6.138 -7.096 12.530 1.00 0.00 N ATOM 0 H GLN A 32 7.692 -5.307 7.960 1.00 0.00 H new ATOM 0 HA GLN A 32 4.900 -5.766 8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.948 -4.390 10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.361 -4.933 10.606 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.045 -7.284 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.659 -6.681 9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.224 -7.329 12.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.311 -7.207 13.529 1.00 0.00 H new ATOM 226 N GLN A 33 6.013 -2.696 7.915 1.00 0.00 N ATOM 227 CA GLN A 33 5.588 -1.370 7.493 1.00 0.00 C ATOM 228 C GLN A 33 4.735 -1.493 6.242 1.00 0.00 C ATOM 229 O GLN A 33 3.656 -0.915 6.150 1.00 0.00 O ATOM 230 CB GLN A 33 6.788 -0.471 7.213 1.00 0.00 C ATOM 231 CG GLN A 33 6.399 0.939 6.814 1.00 0.00 C ATOM 232 CD GLN A 33 7.608 1.834 6.643 1.00 0.00 C ATOM 233 OE1 GLN A 33 8.636 1.631 7.284 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.489 2.837 5.791 1.00 0.00 N ATOM 0 H GLN A 33 7.023 -2.840 7.910 1.00 0.00 H new ATOM 0 HA GLN A 33 5.008 -0.918 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.418 -0.429 8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.388 -0.914 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.835 0.909 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.740 1.361 7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.617 2.970 5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.269 3.478 5.646 1.00 0.00 H new ATOM 243 N PHE A 34 5.228 -2.280 5.296 1.00 0.00 N ATOM 244 CA PHE A 34 4.491 -2.588 4.081 1.00 0.00 C ATOM 245 C PHE A 34 3.154 -3.226 4.433 1.00 0.00 C ATOM 246 O PHE A 34 2.127 -2.909 3.839 1.00 0.00 O ATOM 247 CB PHE A 34 5.330 -3.531 3.209 1.00 0.00 C ATOM 248 CG PHE A 34 4.600 -4.133 2.041 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.489 -3.446 0.842 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.046 -5.400 2.136 1.00 0.00 C ATOM 251 CE1 PHE A 34 3.837 -4.008 -0.236 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.388 -5.967 1.062 1.00 0.00 C ATOM 253 CZ PHE A 34 3.284 -5.270 -0.127 1.00 0.00 C ATOM 0 H PHE A 34 6.146 -2.721 5.350 1.00 0.00 H new ATOM 0 HA PHE A 34 4.295 -1.671 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.194 -2.983 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.711 -4.338 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.918 -2.459 0.751 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.130 -5.951 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.759 -3.462 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.956 -6.953 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.772 -5.711 -0.969 1.00 0.00 H new ATOM 263 N ARG A 35 3.198 -4.113 5.420 1.00 0.00 N ATOM 264 CA ARG A 35 2.021 -4.794 5.948 1.00 0.00 C ATOM 265 C ARG A 35 0.923 -3.788 6.280 1.00 0.00 C ATOM 266 O ARG A 35 -0.212 -3.921 5.838 1.00 0.00 O ATOM 267 CB ARG A 35 2.436 -5.544 7.218 1.00 0.00 C ATOM 268 CG ARG A 35 1.807 -6.904 7.417 1.00 0.00 C ATOM 269 CD ARG A 35 2.179 -7.849 6.296 1.00 0.00 C ATOM 270 NE ARG A 35 1.142 -7.898 5.270 1.00 0.00 N ATOM 271 CZ ARG A 35 1.231 -8.600 4.143 1.00 0.00 C ATOM 272 NH1 ARG A 35 2.341 -9.271 3.847 1.00 0.00 N ATOM 273 NH2 ARG A 35 0.196 -8.638 3.316 1.00 0.00 N ATOM 0 H ARG A 35 4.065 -4.384 5.883 1.00 0.00 H new ATOM 0 HA ARG A 35 1.631 -5.487 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.519 -5.664 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.192 -4.923 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.131 -7.321 8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.723 -6.802 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.120 -7.531 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.340 -8.849 6.700 1.00 0.00 H new ATOM 0 HE ARG A 35 0.291 -7.358 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.135 -9.251 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.398 -9.806 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.659 -8.132 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.255 -9.173 2.450 1.00 0.00 H new ATOM 287 N GLN A 36 1.284 -2.762 7.035 1.00 0.00 N ATOM 288 CA GLN A 36 0.337 -1.717 7.407 1.00 0.00 C ATOM 289 C GLN A 36 0.005 -0.829 6.223 1.00 0.00 C ATOM 290 O GLN A 36 -1.161 -0.556 5.950 1.00 0.00 O ATOM 291 CB GLN A 36 0.901 -0.855 8.534 1.00 0.00 C ATOM 292 CG GLN A 36 1.146 -1.607 9.829 1.00 0.00 C ATOM 293 CD GLN A 36 1.826 -0.742 10.871 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.614 0.143 10.541 1.00 0.00 O ATOM 295 NE2 GLN A 36 1.524 -0.985 12.134 1.00 0.00 N ATOM 0 H GLN A 36 2.226 -2.629 7.403 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.574 -2.211 7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.839 -0.411 8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.211 -0.034 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.196 -1.969 10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.762 -2.483 9.628 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.865 -1.728 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.949 -0.429 12.876 1.00 0.00 H new ATOM 304 N LEU A 37 1.035 -0.403 5.508 1.00 0.00 N ATOM 305 CA LEU A 37 0.883 0.576 4.446 1.00 0.00 C ATOM 306 C LEU A 37 -0.016 0.055 3.322 1.00 0.00 C ATOM 307 O LEU A 37 -0.600 0.841 2.578 1.00 0.00 O ATOM 308 CB LEU A 37 2.256 0.994 3.905 1.00 0.00 C ATOM 309 CG LEU A 37 3.167 1.703 4.910 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.437 2.181 4.233 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.446 2.859 5.582 1.00 0.00 C ATOM 0 H LEU A 37 1.993 -0.724 5.647 1.00 0.00 H new ATOM 0 HA LEU A 37 0.395 1.455 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.770 0.105 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.106 1.652 3.049 1.00 0.00 H new ATOM 0 HG LEU A 37 3.439 0.985 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.072 2.683 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.970 1.327 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.183 2.877 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.117 3.344 6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.132 3.580 4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.570 2.483 6.111 1.00 0.00 H new ATOM 323 N THR A 38 -0.130 -1.262 3.199 1.00 0.00 N ATOM 324 CA THR A 38 -1.016 -1.843 2.204 1.00 0.00 C ATOM 325 C THR A 38 -2.357 -2.268 2.809 1.00 0.00 C ATOM 326 O THR A 38 -3.377 -2.249 2.121 1.00 0.00 O ATOM 327 CB THR A 38 -0.379 -3.049 1.482 1.00 0.00 C ATOM 328 OG1 THR A 38 0.226 -3.945 2.422 1.00 0.00 O ATOM 329 CG2 THR A 38 0.648 -2.589 0.457 1.00 0.00 C ATOM 0 H THR A 38 0.375 -1.940 3.770 1.00 0.00 H new ATOM 0 HA THR A 38 -1.191 -1.054 1.472 1.00 0.00 H new ATOM 0 HB THR A 38 -1.173 -3.581 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.012 -3.518 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.082 -3.458 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.163 -1.954 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.435 -2.026 0.958 1.00 0.00 H new ATOM 337 N GLU A 39 -2.375 -2.635 4.095 1.00 0.00 N ATOM 338 CA GLU A 39 -3.591 -3.182 4.699 1.00 0.00 C ATOM 339 C GLU A 39 -4.393 -2.125 5.461 1.00 0.00 C ATOM 340 O GLU A 39 -5.497 -2.396 5.933 1.00 0.00 O ATOM 341 CB GLU A 39 -3.261 -4.370 5.606 1.00 0.00 C ATOM 342 CG GLU A 39 -2.770 -5.587 4.836 1.00 0.00 C ATOM 343 CD GLU A 39 -2.515 -6.791 5.721 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.495 -7.382 6.225 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.340 -7.175 5.889 1.00 0.00 O ATOM 0 H GLU A 39 -1.577 -2.565 4.726 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.221 -3.530 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.499 -4.070 6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.149 -4.642 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.507 -5.851 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.851 -5.330 4.310 1.00 0.00 H new ATOM 352 N GLU A 40 -3.841 -0.926 5.586 1.00 0.00 N ATOM 353 CA GLU A 40 -4.597 0.196 6.137 1.00 0.00 C ATOM 354 C GLU A 40 -5.345 0.921 5.026 1.00 0.00 C ATOM 355 O GLU A 40 -6.108 1.855 5.276 1.00 0.00 O ATOM 356 CB GLU A 40 -3.689 1.180 6.878 1.00 0.00 C ATOM 357 CG GLU A 40 -3.184 0.665 8.217 1.00 0.00 C ATOM 358 CD GLU A 40 -2.584 1.766 9.067 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.243 2.815 9.228 1.00 0.00 O ATOM 360 OE2 GLU A 40 -1.467 1.588 9.585 1.00 0.00 O ATOM 0 H GLU A 40 -2.883 -0.704 5.317 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.311 -0.208 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.834 1.417 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.233 2.110 7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.007 0.199 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.435 -0.109 8.047 1.00 0.00 H new ATOM 367 N LEU A 41 -5.123 0.474 3.799 1.00 0.00 N ATOM 368 CA LEU A 41 -5.763 1.068 2.640 1.00 0.00 C ATOM 369 C LEU A 41 -7.053 0.326 2.305 1.00 0.00 C ATOM 370 O LEU A 41 -7.095 -0.907 2.318 1.00 0.00 O ATOM 371 CB LEU A 41 -4.801 1.062 1.448 1.00 0.00 C ATOM 372 CG LEU A 41 -5.382 1.561 0.128 1.00 0.00 C ATOM 373 CD1 LEU A 41 -6.111 2.876 0.332 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.275 1.713 -0.897 1.00 0.00 C ATOM 0 H LEU A 41 -4.500 -0.304 3.582 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.020 2.102 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.936 1.677 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.438 0.045 1.303 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.102 0.830 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.519 3.217 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.923 2.735 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.415 3.622 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.696 2.069 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.539 2.430 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.793 0.749 -1.058 1.00 0.00 H new ATOM 386 N ARG A 42 -8.100 1.083 2.012 1.00 0.00 N ATOM 387 CA ARG A 42 -9.400 0.509 1.727 1.00 0.00 C ATOM 388 C ARG A 42 -9.558 0.204 0.241 1.00 0.00 C ATOM 389 O ARG A 42 -9.355 1.080 -0.599 1.00 0.00 O ATOM 390 CB ARG A 42 -10.512 1.473 2.150 1.00 0.00 C ATOM 391 CG ARG A 42 -11.594 0.843 3.010 1.00 0.00 C ATOM 392 CD ARG A 42 -12.839 1.714 3.040 1.00 0.00 C ATOM 393 NE ARG A 42 -13.737 1.370 4.142 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.910 1.967 4.352 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.321 2.932 3.534 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.665 1.615 5.386 1.00 0.00 N ATOM 0 H ARG A 42 -8.071 2.102 1.966 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.476 -0.420 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.067 2.304 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.973 1.891 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.845 -0.144 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.221 0.700 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.545 2.760 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.373 1.612 2.095 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.450 0.632 4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.738 3.215 2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.219 3.389 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.348 0.885 6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.562 2.075 5.543 1.00 0.00 H new ATOM 410 N CYS A 43 -9.909 -1.033 -0.073 1.00 0.00 N ATOM 411 CA CYS A 43 -10.325 -1.386 -1.420 1.00 0.00 C ATOM 412 C CYS A 43 -11.839 -1.599 -1.425 1.00 0.00 C ATOM 413 O CYS A 43 -12.380 -2.240 -0.523 1.00 0.00 O ATOM 414 CB CYS A 43 -9.591 -2.638 -1.912 1.00 0.00 C ATOM 415 SG CYS A 43 -9.754 -4.072 -0.823 1.00 0.00 S ATOM 0 H CYS A 43 -9.914 -1.810 0.588 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.070 -0.576 -2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.969 -2.902 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.533 -2.403 -2.028 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.254 -5.120 -1.408 1.00 0.00 H new ATOM 421 N PRO A 44 -12.542 -1.037 -2.415 1.00 0.00 N ATOM 422 CA PRO A 44 -14.012 -1.062 -2.479 1.00 0.00 C ATOM 423 C PRO A 44 -14.596 -2.428 -2.865 1.00 0.00 C ATOM 424 O PRO A 44 -15.436 -2.522 -3.762 1.00 0.00 O ATOM 425 CB PRO A 44 -14.338 -0.016 -3.560 1.00 0.00 C ATOM 426 CG PRO A 44 -13.054 0.702 -3.823 1.00 0.00 C ATOM 427 CD PRO A 44 -11.975 -0.294 -3.541 1.00 0.00 C ATOM 0 HA PRO A 44 -14.448 -0.854 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.714 -0.492 -4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.110 0.673 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.005 1.053 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.956 1.579 -3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.778 -0.938 -4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.032 0.187 -3.281 1.00 0.00 H new ATOM 435 N LYS A 45 -14.159 -3.479 -2.180 1.00 0.00 N ATOM 436 CA LYS A 45 -14.711 -4.815 -2.376 1.00 0.00 C ATOM 437 C LYS A 45 -14.552 -5.653 -1.112 1.00 0.00 C ATOM 438 O LYS A 45 -13.449 -5.816 -0.594 1.00 0.00 O ATOM 439 CB LYS A 45 -14.053 -5.515 -3.569 1.00 0.00 C ATOM 440 CG LYS A 45 -14.527 -6.946 -3.756 1.00 0.00 C ATOM 441 CD LYS A 45 -14.081 -7.531 -5.084 1.00 0.00 C ATOM 442 CE LYS A 45 -14.443 -9.006 -5.178 1.00 0.00 C ATOM 443 NZ LYS A 45 -14.201 -9.561 -6.533 1.00 0.00 N ATOM 0 H LYS A 45 -13.419 -3.431 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.774 -4.709 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.262 -4.948 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.971 -5.512 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.144 -7.563 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.615 -6.977 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.550 -6.985 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.004 -7.409 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.860 -9.568 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.493 -9.137 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.462 -10.568 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.777 -9.044 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.194 -9.461 -6.774 1.00 0.00 H new ATOM 457 N CYS A 46 -15.672 -6.182 -0.629 1.00 0.00 N ATOM 458 CA CYS A 46 -15.707 -6.950 0.612 1.00 0.00 C ATOM 459 C CYS A 46 -14.876 -8.227 0.515 1.00 0.00 C ATOM 460 O CYS A 46 -14.419 -8.761 1.525 1.00 0.00 O ATOM 461 CB CYS A 46 -17.153 -7.290 0.966 1.00 0.00 C ATOM 462 SG CYS A 46 -18.253 -5.854 0.994 1.00 0.00 S ATOM 0 H CYS A 46 -16.580 -6.091 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.270 -6.335 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.533 -8.014 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.175 -7.772 1.943 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.457 -6.236 1.300 1.00 0.00 H new ATOM 468 N GLN A 47 -14.686 -8.719 -0.701 1.00 0.00 N ATOM 469 CA GLN A 47 -13.888 -9.914 -0.922 1.00 0.00 C ATOM 470 C GLN A 47 -12.567 -9.560 -1.591 1.00 0.00 C ATOM 471 O GLN A 47 -12.301 -9.961 -2.722 1.00 0.00 O ATOM 472 CB GLN A 47 -14.665 -10.929 -1.759 1.00 0.00 C ATOM 473 CG GLN A 47 -15.829 -11.552 -1.008 1.00 0.00 C ATOM 474 CD GLN A 47 -15.374 -12.404 0.160 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.140 -13.602 0.012 1.00 0.00 O ATOM 476 NE2 GLN A 47 -15.233 -11.795 1.326 1.00 0.00 N ATOM 0 H GLN A 47 -15.075 -8.308 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.668 -10.366 0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.040 -10.439 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.987 -11.717 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.487 -10.763 -0.644 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.415 -12.164 -1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.437 -10.799 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.920 -12.321 2.142 1.00 0.00 H new ATOM 485 N ASN A 48 -11.757 -8.786 -0.887 1.00 0.00 N ATOM 486 CA ASN A 48 -10.440 -8.400 -1.375 1.00 0.00 C ATOM 487 C ASN A 48 -9.602 -7.886 -0.209 1.00 0.00 C ATOM 488 O ASN A 48 -10.091 -7.119 0.623 1.00 0.00 O ATOM 489 CB ASN A 48 -10.569 -7.331 -2.467 1.00 0.00 C ATOM 490 CG ASN A 48 -9.275 -7.109 -3.226 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.464 -6.266 -2.859 1.00 0.00 O ATOM 492 ND2 ASN A 48 -9.078 -7.865 -4.299 1.00 0.00 N ATOM 0 H ASN A 48 -11.990 -8.409 0.032 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.945 -9.267 -1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.350 -7.626 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.885 -6.391 -2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.227 -7.755 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.777 -8.556 -4.572 1.00 0.00 H new ATOM 499 N ASN A 49 -8.350 -8.316 -0.137 1.00 0.00 N ATOM 500 CA ASN A 49 -7.496 -7.979 1.002 1.00 0.00 C ATOM 501 C ASN A 49 -6.676 -6.726 0.715 1.00 0.00 C ATOM 502 O ASN A 49 -5.456 -6.789 0.530 1.00 0.00 O ATOM 503 CB ASN A 49 -6.587 -9.162 1.356 1.00 0.00 C ATOM 504 CG ASN A 49 -5.794 -8.935 2.632 1.00 0.00 C ATOM 505 OD1 ASN A 49 -4.608 -8.600 2.598 1.00 0.00 O ATOM 506 ND2 ASN A 49 -6.454 -9.093 3.768 1.00 0.00 N ATOM 0 H ASN A 49 -7.902 -8.895 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.134 -7.769 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.194 -10.060 1.466 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.897 -9.343 0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.982 -8.937 4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.435 -9.371 3.753 1.00 0.00 H new ATOM 513 N SER A 50 -7.368 -5.590 0.671 1.00 0.00 N ATOM 514 CA SER A 50 -6.741 -4.303 0.407 1.00 0.00 C ATOM 515 C SER A 50 -5.889 -4.365 -0.860 1.00 0.00 C ATOM 516 O SER A 50 -6.338 -4.864 -1.891 1.00 0.00 O ATOM 517 CB SER A 50 -5.910 -3.862 1.617 1.00 0.00 C ATOM 518 OG SER A 50 -6.737 -3.628 2.746 1.00 0.00 O ATOM 0 H SER A 50 -8.376 -5.538 0.817 1.00 0.00 H new ATOM 0 HA SER A 50 -7.521 -3.560 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.173 -4.629 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.358 -2.954 1.372 1.00 0.00 H new ATOM 0 HG SER A 50 -6.998 -2.684 2.771 1.00 0.00 H new ATOM 524 N ILE A 51 -4.671 -3.863 -0.799 1.00 0.00 N ATOM 525 CA ILE A 51 -3.770 -3.959 -1.932 1.00 0.00 C ATOM 526 C ILE A 51 -2.559 -4.806 -1.570 1.00 0.00 C ATOM 527 O ILE A 51 -1.600 -4.896 -2.332 1.00 0.00 O ATOM 528 CB ILE A 51 -3.296 -2.568 -2.406 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.440 -1.899 -1.325 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.498 -1.693 -2.747 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.648 -0.711 -1.824 1.00 0.00 C ATOM 0 H ILE A 51 -4.284 -3.388 0.016 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.321 -4.429 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.687 -2.692 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.088 -1.576 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.751 -2.636 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.153 -0.714 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.077 -2.164 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.125 -1.575 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.067 -0.290 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.974 -1.031 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.331 0.045 -2.210 1.00 0.00 H new ATOM 543 N ALA A 52 -2.628 -5.447 -0.408 1.00 0.00 N ATOM 544 CA ALA A 52 -1.484 -6.151 0.153 1.00 0.00 C ATOM 545 C ALA A 52 -1.145 -7.410 -0.634 1.00 0.00 C ATOM 546 O ALA A 52 -0.152 -7.450 -1.361 1.00 0.00 O ATOM 547 CB ALA A 52 -1.746 -6.495 1.610 1.00 0.00 C ATOM 0 H ALA A 52 -3.470 -5.492 0.165 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.624 -5.485 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.884 -7.021 2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.914 -5.579 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.628 -7.132 1.681 1.00 0.00 H new ATOM 553 N ASP A 53 -1.978 -8.430 -0.500 1.00 0.00 N ATOM 554 CA ASP A 53 -1.720 -9.712 -1.145 1.00 0.00 C ATOM 555 C ASP A 53 -2.741 -9.994 -2.231 1.00 0.00 C ATOM 556 O ASP A 53 -2.860 -11.121 -2.709 1.00 0.00 O ATOM 557 CB ASP A 53 -1.722 -10.849 -0.118 1.00 0.00 C ATOM 558 CG ASP A 53 -0.349 -11.102 0.473 1.00 0.00 C ATOM 559 OD1 ASP A 53 0.090 -10.319 1.337 1.00 0.00 O ATOM 560 OD2 ASP A 53 0.305 -12.087 0.066 1.00 0.00 O ATOM 0 H ASP A 53 -2.838 -8.397 0.048 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.733 -9.655 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.420 -10.608 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.083 -11.762 -0.592 1.00 0.00 H new ATOM 565 N SER A 54 -3.475 -8.962 -2.623 1.00 0.00 N ATOM 566 CA SER A 54 -4.466 -9.095 -3.677 1.00 0.00 C ATOM 567 C SER A 54 -3.785 -9.336 -5.023 1.00 0.00 C ATOM 568 O SER A 54 -4.362 -9.942 -5.925 1.00 0.00 O ATOM 569 CB SER A 54 -5.346 -7.842 -3.738 1.00 0.00 C ATOM 570 OG SER A 54 -5.890 -7.548 -2.462 1.00 0.00 O ATOM 0 H SER A 54 -3.402 -8.025 -2.226 1.00 0.00 H new ATOM 0 HA SER A 54 -5.099 -9.954 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.758 -6.995 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.152 -7.992 -4.456 1.00 0.00 H new ATOM 0 HG SER A 54 -6.746 -7.083 -2.570 1.00 0.00 H new ATOM 576 N ASN A 55 -2.546 -8.837 -5.134 1.00 0.00 N ATOM 577 CA ASN A 55 -1.703 -9.023 -6.325 1.00 0.00 C ATOM 578 C ASN A 55 -2.313 -8.389 -7.568 1.00 0.00 C ATOM 579 O ASN A 55 -1.840 -8.610 -8.685 1.00 0.00 O ATOM 580 CB ASN A 55 -1.433 -10.506 -6.583 1.00 0.00 C ATOM 581 CG ASN A 55 -0.518 -11.121 -5.539 1.00 0.00 C ATOM 582 OD1 ASN A 55 0.297 -10.432 -4.925 1.00 0.00 O ATOM 583 ND2 ASN A 55 -0.636 -12.424 -5.342 1.00 0.00 N ATOM 0 H ASN A 55 -2.098 -8.291 -4.398 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.760 -8.518 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.379 -11.047 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.984 -10.624 -7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.039 -12.893 -4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.324 -12.960 -5.871 1.00 0.00 H new ATOM 590 N SER A 56 -3.364 -7.612 -7.364 1.00 0.00 N ATOM 591 CA SER A 56 -4.026 -6.899 -8.444 1.00 0.00 C ATOM 592 C SER A 56 -3.039 -6.014 -9.193 1.00 0.00 C ATOM 593 O SER A 56 -2.142 -5.430 -8.579 1.00 0.00 O ATOM 594 CB SER A 56 -5.184 -6.059 -7.897 1.00 0.00 C ATOM 595 OG SER A 56 -5.780 -5.255 -8.901 1.00 0.00 O ATOM 0 H SER A 56 -3.782 -7.458 -6.446 1.00 0.00 H new ATOM 0 HA SER A 56 -4.425 -7.634 -9.143 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.938 -6.718 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.820 -5.422 -7.091 1.00 0.00 H new ATOM 0 HG SER A 56 -6.515 -4.737 -8.512 1.00 0.00 H new ATOM 601 N MET A 57 -3.188 -5.950 -10.508 1.00 0.00 N ATOM 602 CA MET A 57 -2.324 -5.127 -11.353 1.00 0.00 C ATOM 603 C MET A 57 -2.159 -3.741 -10.754 1.00 0.00 C ATOM 604 O MET A 57 -1.046 -3.277 -10.485 1.00 0.00 O ATOM 605 CB MET A 57 -2.927 -4.978 -12.750 1.00 0.00 C ATOM 606 CG MET A 57 -3.651 -6.208 -13.247 1.00 0.00 C ATOM 607 SD MET A 57 -5.367 -5.859 -13.679 1.00 0.00 S ATOM 608 CE MET A 57 -6.037 -5.423 -12.076 1.00 0.00 C ATOM 0 H MET A 57 -3.906 -6.462 -11.020 1.00 0.00 H new ATOM 0 HA MET A 57 -1.355 -5.621 -11.418 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.622 -4.138 -12.746 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.131 -4.730 -13.452 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.132 -6.606 -14.119 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.621 -6.981 -12.479 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.814 -4.669 -12.199 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.463 -6.310 -11.606 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.242 -5.025 -11.445 1.00 0.00 H new ATOM 618 N ILE A 58 -3.296 -3.113 -10.509 1.00 0.00 N ATOM 619 CA ILE A 58 -3.346 -1.749 -10.024 1.00 0.00 C ATOM 620 C ILE A 58 -2.941 -1.695 -8.545 1.00 0.00 C ATOM 621 O ILE A 58 -2.374 -0.703 -8.086 1.00 0.00 O ATOM 622 CB ILE A 58 -4.759 -1.136 -10.278 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.545 -0.901 -8.989 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.563 -2.027 -11.209 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.245 0.432 -8.348 1.00 0.00 C ATOM 0 H ILE A 58 -4.213 -3.539 -10.642 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.629 -1.141 -10.576 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.596 -0.163 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.612 -0.962 -9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.317 -1.698 -8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.546 -1.586 -11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.041 -2.123 -12.161 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.680 -3.013 -10.759 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.834 0.539 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.184 0.487 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.499 1.234 -9.041 1.00 0.00 H new ATOM 637 N ALA A 59 -3.210 -2.773 -7.807 1.00 0.00 N ATOM 638 CA ALA A 59 -2.802 -2.854 -6.405 1.00 0.00 C ATOM 639 C ALA A 59 -1.283 -2.755 -6.292 1.00 0.00 C ATOM 640 O ALA A 59 -0.755 -2.088 -5.405 1.00 0.00 O ATOM 641 CB ALA A 59 -3.289 -4.145 -5.757 1.00 0.00 C ATOM 0 H ALA A 59 -3.704 -3.595 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.259 -2.018 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.968 -4.173 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.377 -4.187 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.870 -4.999 -6.288 1.00 0.00 H new ATOM 647 N THR A 60 -0.592 -3.417 -7.209 1.00 0.00 N ATOM 648 CA THR A 60 0.858 -3.358 -7.270 1.00 0.00 C ATOM 649 C THR A 60 1.332 -1.947 -7.618 1.00 0.00 C ATOM 650 O THR A 60 2.316 -1.463 -7.057 1.00 0.00 O ATOM 651 CB THR A 60 1.400 -4.373 -8.287 1.00 0.00 C ATOM 652 OG1 THR A 60 1.055 -5.698 -7.860 1.00 0.00 O ATOM 653 CG2 THR A 60 2.907 -4.252 -8.427 1.00 0.00 C ATOM 0 H THR A 60 -1.018 -4.005 -7.925 1.00 0.00 H new ATOM 0 HA THR A 60 1.247 -3.615 -6.285 1.00 0.00 H new ATOM 0 HB THR A 60 0.953 -4.168 -9.260 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.095 -5.844 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.265 -4.982 -9.153 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.161 -3.248 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.378 -4.439 -7.462 1.00 0.00 H new ATOM 661 N ASP A 61 0.617 -1.293 -8.531 1.00 0.00 N ATOM 662 CA ASP A 61 0.898 0.102 -8.889 1.00 0.00 C ATOM 663 C ASP A 61 0.950 0.965 -7.634 1.00 0.00 C ATOM 664 O ASP A 61 1.872 1.758 -7.437 1.00 0.00 O ATOM 665 CB ASP A 61 -0.189 0.649 -9.821 1.00 0.00 C ATOM 666 CG ASP A 61 0.264 1.877 -10.589 1.00 0.00 C ATOM 667 OD1 ASP A 61 0.974 1.717 -11.606 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.098 3.003 -10.194 1.00 0.00 O ATOM 0 H ASP A 61 -0.165 -1.706 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 61 1.861 0.133 -9.399 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.482 -0.128 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.074 0.898 -9.235 1.00 0.00 H new ATOM 673 N LEU A 62 -0.045 0.773 -6.780 1.00 0.00 N ATOM 674 CA LEU A 62 -0.160 1.519 -5.533 1.00 0.00 C ATOM 675 C LEU A 62 0.951 1.133 -4.559 1.00 0.00 C ATOM 676 O LEU A 62 1.490 1.981 -3.851 1.00 0.00 O ATOM 677 CB LEU A 62 -1.522 1.244 -4.892 1.00 0.00 C ATOM 678 CG LEU A 62 -2.734 1.463 -5.800 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.013 1.187 -5.032 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.740 2.876 -6.363 1.00 0.00 C ATOM 0 H LEU A 62 -0.794 0.098 -6.930 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.066 2.581 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.536 0.213 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.627 1.883 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.671 0.769 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.871 1.345 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.010 0.156 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.078 1.862 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.611 3.008 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.781 3.594 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.832 3.040 -6.944 1.00 0.00 H new ATOM 692 N ARG A 63 1.293 -0.147 -4.532 1.00 0.00 N ATOM 693 CA ARG A 63 2.325 -0.642 -3.630 1.00 0.00 C ATOM 694 C ARG A 63 3.687 -0.050 -3.965 1.00 0.00 C ATOM 695 O ARG A 63 4.540 0.095 -3.091 1.00 0.00 O ATOM 696 CB ARG A 63 2.385 -2.167 -3.657 1.00 0.00 C ATOM 697 CG ARG A 63 1.170 -2.821 -3.025 1.00 0.00 C ATOM 698 CD ARG A 63 1.366 -4.313 -2.851 1.00 0.00 C ATOM 699 NE ARG A 63 1.366 -5.028 -4.133 1.00 0.00 N ATOM 700 CZ ARG A 63 1.711 -6.312 -4.277 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.997 -7.052 -3.210 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.742 -6.864 -5.486 1.00 0.00 N ATOM 0 H ARG A 63 0.871 -0.862 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 63 2.059 -0.324 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.475 -2.503 -4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.282 -2.499 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.973 -2.364 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.293 -2.639 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.309 -4.496 -2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.574 -4.710 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 63 1.085 -4.513 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.954 -6.641 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.260 -8.031 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.502 -6.308 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.006 -7.844 -5.593 1.00 0.00 H new ATOM 716 N GLN A 64 3.891 0.285 -5.233 1.00 0.00 N ATOM 717 CA GLN A 64 5.094 0.992 -5.645 1.00 0.00 C ATOM 718 C GLN A 64 5.164 2.340 -4.944 1.00 0.00 C ATOM 719 O GLN A 64 6.221 2.747 -4.469 1.00 0.00 O ATOM 720 CB GLN A 64 5.105 1.184 -7.156 1.00 0.00 C ATOM 721 CG GLN A 64 5.048 -0.119 -7.933 1.00 0.00 C ATOM 722 CD GLN A 64 4.928 0.102 -9.426 1.00 0.00 C ATOM 723 OE1 GLN A 64 5.401 -0.706 -10.228 1.00 0.00 O ATOM 724 NE2 GLN A 64 4.285 1.195 -9.807 1.00 0.00 N ATOM 0 H GLN A 64 3.240 0.079 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 64 5.965 0.399 -5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.256 1.805 -7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.007 1.727 -7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.946 -0.701 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.199 -0.708 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.910 1.836 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.165 1.396 -10.800 1.00 0.00 H new ATOM 733 N LYS A 65 4.018 3.011 -4.858 1.00 0.00 N ATOM 734 CA LYS A 65 3.927 4.278 -4.145 1.00 0.00 C ATOM 735 C LYS A 65 4.275 4.072 -2.680 1.00 0.00 C ATOM 736 O LYS A 65 5.019 4.854 -2.093 1.00 0.00 O ATOM 737 CB LYS A 65 2.523 4.864 -4.268 1.00 0.00 C ATOM 738 CG LYS A 65 2.343 6.234 -3.625 1.00 0.00 C ATOM 739 CD LYS A 65 2.757 7.351 -4.573 1.00 0.00 C ATOM 740 CE LYS A 65 4.244 7.632 -4.483 1.00 0.00 C ATOM 741 NZ LYS A 65 4.793 8.194 -5.745 1.00 0.00 N ATOM 0 H LYS A 65 3.141 2.697 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 65 4.635 4.978 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.267 4.938 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.814 4.170 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.301 6.368 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.937 6.290 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.499 7.076 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.199 8.257 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.430 8.330 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.771 6.709 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.389 9.018 -5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.364 7.471 -6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.010 8.487 -6.364 1.00 0.00 H new ATOM 755 N VAL A 66 3.728 3.005 -2.107 1.00 0.00 N ATOM 756 CA VAL A 66 4.028 2.613 -0.735 1.00 0.00 C ATOM 757 C VAL A 66 5.538 2.449 -0.534 1.00 0.00 C ATOM 758 O VAL A 66 6.078 2.866 0.488 1.00 0.00 O ATOM 759 CB VAL A 66 3.277 1.317 -0.339 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.778 0.787 0.990 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.780 1.584 -0.268 1.00 0.00 C ATOM 0 H VAL A 66 3.066 2.389 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 66 3.679 3.411 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 66 3.469 0.561 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.236 -0.123 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.843 0.566 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.616 1.536 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.260 0.668 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.583 2.355 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.424 1.921 -1.241 1.00 0.00 H new ATOM 771 N TYR A 67 6.218 1.877 -1.524 1.00 0.00 N ATOM 772 CA TYR A 67 7.670 1.721 -1.454 1.00 0.00 C ATOM 773 C TYR A 67 8.373 3.074 -1.533 1.00 0.00 C ATOM 774 O TYR A 67 9.239 3.380 -0.712 1.00 0.00 O ATOM 775 CB TYR A 67 8.181 0.803 -2.569 1.00 0.00 C ATOM 776 CG TYR A 67 9.691 0.702 -2.623 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.389 -0.067 -1.696 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.420 1.382 -3.592 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.767 -0.155 -1.739 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.798 1.297 -3.640 1.00 0.00 C ATOM 781 CZ TYR A 67 12.466 0.529 -2.710 1.00 0.00 C ATOM 782 OH TYR A 67 13.839 0.442 -2.754 1.00 0.00 O ATOM 0 H TYR A 67 5.792 1.516 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 67 7.901 1.263 -0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.763 -0.194 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.815 1.170 -3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.845 -0.603 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.900 1.987 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.295 -0.758 -1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.349 1.829 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 67 14.100 -0.356 -3.260 1.00 0.00 H new ATOM 792 N GLU A 68 8.002 3.875 -2.528 1.00 0.00 N ATOM 793 CA GLU A 68 8.605 5.190 -2.721 1.00 0.00 C ATOM 794 C GLU A 68 8.485 6.032 -1.462 1.00 0.00 C ATOM 795 O GLU A 68 9.461 6.599 -0.981 1.00 0.00 O ATOM 796 CB GLU A 68 7.935 5.929 -3.877 1.00 0.00 C ATOM 797 CG GLU A 68 7.947 5.165 -5.185 1.00 0.00 C ATOM 798 CD GLU A 68 7.438 5.999 -6.339 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.211 6.011 -6.581 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.265 6.650 -7.012 1.00 0.00 O ATOM 0 H GLU A 68 7.286 3.636 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 68 9.659 5.035 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.902 6.148 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.436 6.886 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.962 4.832 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.332 4.270 -5.087 1.00 0.00 H new ATOM 807 N LEU A 69 7.283 6.080 -0.925 1.00 0.00 N ATOM 808 CA LEU A 69 6.985 6.890 0.244 1.00 0.00 C ATOM 809 C LEU A 69 7.823 6.473 1.454 1.00 0.00 C ATOM 810 O LEU A 69 8.138 7.298 2.315 1.00 0.00 O ATOM 811 CB LEU A 69 5.499 6.792 0.553 1.00 0.00 C ATOM 812 CG LEU A 69 4.585 7.375 -0.525 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.134 7.171 -0.151 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.868 8.856 -0.725 1.00 0.00 C ATOM 0 H LEU A 69 6.483 5.559 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 69 7.245 7.926 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.241 5.744 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.302 7.305 1.494 1.00 0.00 H new ATOM 0 HG LEU A 69 4.785 6.853 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.495 7.591 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.930 6.105 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.929 7.670 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.207 9.252 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.695 9.389 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.905 8.990 -1.032 1.00 0.00 H new ATOM 826 N MET A 70 8.187 5.196 1.513 1.00 0.00 N ATOM 827 CA MET A 70 9.058 4.700 2.579 1.00 0.00 C ATOM 828 C MET A 70 10.384 5.452 2.579 1.00 0.00 C ATOM 829 O MET A 70 10.805 5.994 3.603 1.00 0.00 O ATOM 830 CB MET A 70 9.350 3.202 2.419 1.00 0.00 C ATOM 831 CG MET A 70 8.145 2.296 2.599 1.00 0.00 C ATOM 832 SD MET A 70 8.574 0.550 2.497 1.00 0.00 S ATOM 833 CE MET A 70 6.948 -0.182 2.599 1.00 0.00 C ATOM 0 H MET A 70 7.896 4.487 0.840 1.00 0.00 H new ATOM 0 HA MET A 70 8.533 4.863 3.520 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.770 3.032 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.114 2.916 3.142 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.684 2.498 3.566 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.402 2.529 1.837 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.804 -0.612 3.590 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.193 0.584 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.854 -0.965 1.847 1.00 0.00 H new ATOM 843 N GLN A 71 11.022 5.498 1.417 1.00 0.00 N ATOM 844 CA GLN A 71 12.325 6.128 1.282 1.00 0.00 C ATOM 845 C GLN A 71 12.201 7.644 1.226 1.00 0.00 C ATOM 846 O GLN A 71 13.143 8.356 1.571 1.00 0.00 O ATOM 847 CB GLN A 71 13.052 5.598 0.042 1.00 0.00 C ATOM 848 CG GLN A 71 12.142 5.401 -1.160 1.00 0.00 C ATOM 849 CD GLN A 71 12.869 4.902 -2.391 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.879 4.205 -2.294 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.355 5.261 -3.557 1.00 0.00 N ATOM 0 H GLN A 71 10.654 5.104 0.551 1.00 0.00 H new ATOM 0 HA GLN A 71 12.914 5.875 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.849 6.292 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.526 4.648 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.356 4.692 -0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.653 6.346 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.516 5.840 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.798 4.959 -4.425 1.00 0.00 H new ATOM 860 N GLU A 72 11.041 8.139 0.796 1.00 0.00 N ATOM 861 CA GLU A 72 10.788 9.579 0.796 1.00 0.00 C ATOM 862 C GLU A 72 10.795 10.120 2.219 1.00 0.00 C ATOM 863 O GLU A 72 11.226 11.247 2.468 1.00 0.00 O ATOM 864 CB GLU A 72 9.452 9.921 0.125 1.00 0.00 C ATOM 865 CG GLU A 72 9.397 9.568 -1.349 1.00 0.00 C ATOM 866 CD GLU A 72 8.168 10.115 -2.049 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.934 11.341 -1.974 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.435 9.323 -2.676 1.00 0.00 O ATOM 0 H GLU A 72 10.269 7.571 0.447 1.00 0.00 H new ATOM 0 HA GLU A 72 11.588 10.048 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.651 9.396 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.261 10.988 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.290 9.953 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.416 8.484 -1.457 1.00 0.00 H new ATOM 875 N GLY A 73 10.309 9.311 3.152 1.00 0.00 N ATOM 876 CA GLY A 73 10.311 9.707 4.543 1.00 0.00 C ATOM 877 C GLY A 73 8.920 10.029 5.028 1.00 0.00 C ATOM 878 O GLY A 73 8.733 10.889 5.887 1.00 0.00 O ATOM 0 H GLY A 73 9.914 8.389 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.733 8.906 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.954 10.578 4.674 1.00 0.00 H new ATOM 882 N LYS A 74 7.940 9.344 4.466 1.00 0.00 N ATOM 883 CA LYS A 74 6.554 9.550 4.842 1.00 0.00 C ATOM 884 C LYS A 74 6.237 8.781 6.119 1.00 0.00 C ATOM 885 O LYS A 74 6.952 7.851 6.495 1.00 0.00 O ATOM 886 CB LYS A 74 5.634 9.072 3.722 1.00 0.00 C ATOM 887 CG LYS A 74 6.036 9.570 2.342 1.00 0.00 C ATOM 888 CD LYS A 74 5.696 11.032 2.152 1.00 0.00 C ATOM 889 CE LYS A 74 6.412 11.609 0.950 1.00 0.00 C ATOM 890 NZ LYS A 74 6.192 13.074 0.818 1.00 0.00 N ATOM 0 H LYS A 74 8.080 8.637 3.744 1.00 0.00 H new ATOM 0 HA LYS A 74 6.394 10.614 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.621 7.982 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.617 9.401 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.107 9.424 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.530 8.977 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.619 11.144 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.972 11.591 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.480 11.409 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.065 11.108 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.700 13.427 -0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.175 13.264 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.547 13.556 1.668 1.00 0.00 H new ATOM 904 N SER A 75 5.172 9.175 6.778 1.00 0.00 N ATOM 905 CA SER A 75 4.682 8.472 7.954 1.00 0.00 C ATOM 906 C SER A 75 3.603 7.487 7.529 1.00 0.00 C ATOM 907 O SER A 75 3.144 7.553 6.399 1.00 0.00 O ATOM 908 CB SER A 75 4.137 9.475 8.967 1.00 0.00 C ATOM 909 OG SER A 75 5.170 10.325 9.439 1.00 0.00 O ATOM 0 H SER A 75 4.617 9.991 6.519 1.00 0.00 H new ATOM 0 HA SER A 75 5.496 7.922 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.350 10.072 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.685 8.944 9.805 1.00 0.00 H new ATOM 0 HG SER A 75 4.800 10.962 10.086 1.00 0.00 H new ATOM 915 N LYS A 76 3.206 6.574 8.409 1.00 0.00 N ATOM 916 CA LYS A 76 2.229 5.541 8.046 1.00 0.00 C ATOM 917 C LYS A 76 0.971 6.149 7.431 1.00 0.00 C ATOM 918 O LYS A 76 0.609 5.838 6.295 1.00 0.00 O ATOM 919 CB LYS A 76 1.851 4.686 9.254 1.00 0.00 C ATOM 920 CG LYS A 76 2.699 3.430 9.422 1.00 0.00 C ATOM 921 CD LYS A 76 4.122 3.736 9.863 1.00 0.00 C ATOM 922 CE LYS A 76 5.048 4.013 8.689 1.00 0.00 C ATOM 923 NZ LYS A 76 6.429 4.322 9.149 1.00 0.00 N ATOM 0 H LYS A 76 3.539 6.524 9.372 1.00 0.00 H new ATOM 0 HA LYS A 76 2.705 4.904 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.938 5.293 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.804 4.395 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.229 2.775 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.725 2.885 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.115 4.600 10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.510 2.895 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.068 3.147 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.661 4.850 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.036 4.506 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.411 5.163 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.806 3.513 9.683 1.00 0.00 H new ATOM 937 N LYS A 77 0.326 7.032 8.177 1.00 0.00 N ATOM 938 CA LYS A 77 -0.894 7.681 7.711 1.00 0.00 C ATOM 939 C LYS A 77 -0.578 8.619 6.557 1.00 0.00 C ATOM 940 O LYS A 77 -1.419 8.881 5.707 1.00 0.00 O ATOM 941 CB LYS A 77 -1.564 8.445 8.851 1.00 0.00 C ATOM 942 CG LYS A 77 -1.563 7.690 10.168 1.00 0.00 C ATOM 943 CD LYS A 77 -2.255 6.341 10.053 1.00 0.00 C ATOM 944 CE LYS A 77 -2.253 5.604 11.382 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.035 4.342 11.324 1.00 0.00 N ATOM 0 H LYS A 77 0.626 7.317 9.109 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.585 6.914 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.054 9.399 8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.593 8.671 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.535 7.543 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.062 8.289 10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.282 6.484 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.753 5.736 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.226 5.380 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.667 6.251 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.537 3.600 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.975 4.497 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.141 4.044 10.333 1.00 0.00 H new ATOM 959 N GLU A 78 0.648 9.115 6.542 1.00 0.00 N ATOM 960 CA GLU A 78 1.125 9.971 5.459 1.00 0.00 C ATOM 961 C GLU A 78 1.242 9.182 4.148 1.00 0.00 C ATOM 962 O GLU A 78 0.864 9.675 3.087 1.00 0.00 O ATOM 963 CB GLU A 78 2.471 10.592 5.842 1.00 0.00 C ATOM 964 CG GLU A 78 3.152 11.357 4.722 1.00 0.00 C ATOM 965 CD GLU A 78 2.505 12.693 4.423 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.305 12.725 4.107 1.00 0.00 O ATOM 967 OE2 GLU A 78 3.217 13.720 4.470 1.00 0.00 O ATOM 0 H GLU A 78 1.339 8.940 7.272 1.00 0.00 H new ATOM 0 HA GLU A 78 0.401 10.771 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.319 11.266 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.138 9.800 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.197 11.519 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.143 10.747 3.818 1.00 0.00 H new ATOM 974 N ILE A 79 1.762 7.955 4.226 1.00 0.00 N ATOM 975 CA ILE A 79 1.850 7.085 3.053 1.00 0.00 C ATOM 976 C ILE A 79 0.462 6.847 2.465 1.00 0.00 C ATOM 977 O ILE A 79 0.232 7.067 1.276 1.00 0.00 O ATOM 978 CB ILE A 79 2.516 5.712 3.363 1.00 0.00 C ATOM 979 CG1 ILE A 79 4.043 5.799 3.271 1.00 0.00 C ATOM 980 CG2 ILE A 79 2.020 4.645 2.395 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.766 5.751 4.603 1.00 0.00 C ATOM 0 H ILE A 79 2.127 7.544 5.085 1.00 0.00 H new ATOM 0 HA ILE A 79 2.484 7.603 2.333 1.00 0.00 H new ATOM 0 HB ILE A 79 2.239 5.441 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.402 4.979 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.310 6.725 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.497 3.693 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.939 4.542 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.269 4.936 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.841 5.819 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.442 6.586 5.223 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.536 4.813 5.108 1.00 0.00 H new ATOM 993 N VAL A 80 -0.468 6.419 3.309 1.00 0.00 N ATOM 994 CA VAL A 80 -1.817 6.129 2.854 1.00 0.00 C ATOM 995 C VAL A 80 -2.539 7.408 2.426 1.00 0.00 C ATOM 996 O VAL A 80 -3.333 7.391 1.488 1.00 0.00 O ATOM 997 CB VAL A 80 -2.640 5.363 3.914 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.614 6.065 5.256 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.067 5.187 3.443 1.00 0.00 C ATOM 0 H VAL A 80 -0.312 6.266 4.305 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.725 5.477 1.985 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.182 4.382 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.204 5.497 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.585 6.139 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.035 7.065 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.636 4.646 4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.519 6.165 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.075 4.623 2.510 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.252 8.515 3.098 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.817 9.804 2.712 1.00 0.00 C ATOM 1011 C ASP A 81 -2.307 10.210 1.338 1.00 0.00 C ATOM 1012 O ASP A 81 -3.044 10.749 0.523 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.466 10.880 3.739 1.00 0.00 C ATOM 1014 CG ASP A 81 -2.978 12.251 3.353 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.142 12.561 3.686 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.219 13.029 2.737 1.00 0.00 O ATOM 0 H ASP A 81 -1.635 8.548 3.909 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.902 9.704 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.883 10.601 4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.383 10.922 3.858 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.045 9.922 1.084 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.450 10.180 -0.215 1.00 0.00 C ATOM 1023 C TYR A 82 -1.168 9.343 -1.258 1.00 0.00 C ATOM 1024 O TYR A 82 -1.445 9.801 -2.368 1.00 0.00 O ATOM 1025 CB TYR A 82 1.034 9.829 -0.204 1.00 0.00 C ATOM 1026 CG TYR A 82 1.865 10.664 -1.153 1.00 0.00 C ATOM 1027 CD1 TYR A 82 2.428 11.861 -0.731 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.096 10.254 -2.461 1.00 0.00 C ATOM 1029 CE1 TYR A 82 3.195 12.626 -1.583 1.00 0.00 C ATOM 1030 CE2 TYR A 82 2.864 11.018 -3.321 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.411 12.202 -2.876 1.00 0.00 C ATOM 1032 OH TYR A 82 4.182 12.966 -3.724 1.00 0.00 O ATOM 0 H TYR A 82 -0.408 9.507 1.764 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.550 11.239 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.420 9.953 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.151 8.777 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.262 12.198 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.670 9.325 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.625 13.555 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.034 10.689 -4.335 1.00 0.00 H new ATOM 0 HH TYR A 82 4.238 12.528 -4.599 1.00 0.00 H new ATOM 1042 N MET A 83 -1.479 8.112 -0.874 1.00 0.00 N ATOM 1043 CA MET A 83 -2.248 7.217 -1.718 1.00 0.00 C ATOM 1044 C MET A 83 -3.626 7.802 -1.989 1.00 0.00 C ATOM 1045 O MET A 83 -4.032 7.922 -3.132 1.00 0.00 O ATOM 1046 CB MET A 83 -2.402 5.839 -1.058 1.00 0.00 C ATOM 1047 CG MET A 83 -1.100 5.072 -0.889 1.00 0.00 C ATOM 1048 SD MET A 83 -0.946 3.694 -2.044 1.00 0.00 S ATOM 1049 CE MET A 83 -1.011 4.551 -3.609 1.00 0.00 C ATOM 0 H MET A 83 -1.207 7.712 0.024 1.00 0.00 H new ATOM 0 HA MET A 83 -1.711 7.099 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.862 5.969 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.088 5.239 -1.656 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.261 5.754 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.036 4.694 0.131 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.520 3.949 -4.374 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.051 4.717 -3.890 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.502 5.510 -3.520 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.334 8.190 -0.936 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.717 8.634 -1.081 1.00 0.00 C ATOM 1061 C VAL A 84 -5.817 10.013 -1.725 1.00 0.00 C ATOM 1062 O VAL A 84 -6.791 10.319 -2.408 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.477 8.629 0.265 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.494 7.232 0.842 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.865 9.601 1.265 1.00 0.00 C ATOM 0 H VAL A 84 -3.979 8.207 0.020 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.190 7.911 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.498 8.956 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.031 7.237 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.992 6.557 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.471 6.894 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.429 9.567 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.829 9.322 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.899 10.611 0.858 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.819 10.847 -1.504 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.803 12.178 -2.087 1.00 0.00 C ATOM 1077 C ALA A 85 -4.536 12.117 -3.590 1.00 0.00 C ATOM 1078 O ALA A 85 -5.181 12.812 -4.372 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.761 13.040 -1.392 1.00 0.00 C ATOM 0 H ALA A 85 -4.008 10.628 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.785 12.628 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.757 14.035 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.001 13.117 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.777 12.586 -1.509 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.602 11.265 -3.992 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.172 11.207 -5.388 1.00 0.00 C ATOM 1087 C ARG A 86 -3.895 10.102 -6.164 1.00 0.00 C ATOM 1088 O ARG A 86 -4.061 10.190 -7.380 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.656 10.993 -5.470 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.830 12.232 -5.151 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.842 12.548 -3.664 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.115 13.777 -3.351 1.00 0.00 N ATOM 1093 CZ ARG A 86 -0.046 14.317 -2.132 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.646 13.729 -1.106 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.632 15.442 -1.940 1.00 0.00 N ATOM 0 H ARG A 86 -3.127 10.605 -3.376 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.431 12.161 -5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.376 10.196 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.403 10.650 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.197 12.080 -5.482 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.222 13.084 -5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.873 12.642 -3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.399 11.717 -3.115 1.00 0.00 H new ATOM 0 HE ARG A 86 0.370 14.252 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.163 12.861 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.591 14.145 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.101 15.895 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.684 15.853 -1.008 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.324 9.067 -5.458 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.941 7.902 -6.087 1.00 0.00 C ATOM 1111 C TYR A 87 -6.306 7.616 -5.469 1.00 0.00 C ATOM 1112 O TYR A 87 -6.799 6.489 -5.514 1.00 0.00 O ATOM 1113 CB TYR A 87 -4.021 6.685 -5.936 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.618 6.916 -6.467 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.354 6.889 -7.830 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.558 7.168 -5.599 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -1.076 7.104 -8.314 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.277 7.385 -6.076 1.00 0.00 C ATOM 1119 CZ TYR A 87 -0.043 7.352 -7.432 1.00 0.00 C ATOM 1120 OH TYR A 87 1.227 7.573 -7.910 1.00 0.00 O ATOM 0 H TYR A 87 -4.257 9.007 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 87 -5.086 8.110 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.962 6.413 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.464 5.838 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.159 6.697 -8.523 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.739 7.195 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.887 7.078 -9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.533 7.579 -5.389 1.00 0.00 H new ATOM 0 HH TYR A 87 1.707 8.171 -7.300 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.931 8.660 -4.935 1.00 0.00 N ATOM 1131 CA GLY A 88 -8.183 8.509 -4.210 1.00 0.00 C ATOM 1132 C GLY A 88 -9.380 8.213 -5.098 1.00 0.00 C ATOM 1133 O GLY A 88 -10.524 8.401 -4.680 1.00 0.00 O ATOM 0 H GLY A 88 -6.589 9.619 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.075 7.704 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.378 9.422 -3.648 1.00 0.00 H new ATOM 1137 N ASN A 89 -9.121 7.765 -6.317 1.00 0.00 N ATOM 1138 CA ASN A 89 -10.179 7.310 -7.204 1.00 0.00 C ATOM 1139 C ASN A 89 -10.561 5.890 -6.825 1.00 0.00 C ATOM 1140 O ASN A 89 -11.732 5.568 -6.621 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.711 7.380 -8.663 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.810 7.102 -9.678 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -11.722 6.311 -9.441 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.728 7.768 -10.818 1.00 0.00 N ATOM 0 H ASN A 89 -8.184 7.707 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.052 7.954 -7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.296 8.370 -8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.904 6.662 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.437 7.634 -11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.956 8.415 -10.976 1.00 0.00 H new ATOM 1151 N PHE A 90 -9.546 5.064 -6.692 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.727 3.671 -6.313 1.00 0.00 C ATOM 1153 C PHE A 90 -9.440 3.478 -4.831 1.00 0.00 C ATOM 1154 O PHE A 90 -10.096 2.683 -4.160 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.817 2.759 -7.147 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.907 1.305 -6.766 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -9.967 0.524 -7.199 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -7.935 0.722 -5.969 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -10.053 -0.809 -6.846 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -8.016 -0.610 -5.613 1.00 0.00 C ATOM 1161 CZ PHE A 90 -9.075 -1.377 -6.053 1.00 0.00 C ATOM 0 H PHE A 90 -8.574 5.333 -6.842 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.765 3.400 -6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.076 2.867 -8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.785 3.091 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.735 0.962 -7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.103 1.317 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.884 -1.406 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.251 -1.051 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.139 -2.419 -5.778 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.479 4.231 -4.315 1.00 0.00 N ATOM 1172 CA VAL A 91 -8.030 4.037 -2.947 1.00 0.00 C ATOM 1173 C VAL A 91 -8.793 4.959 -2.000 1.00 0.00 C ATOM 1174 O VAL A 91 -9.312 6.001 -2.412 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.504 4.284 -2.797 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.772 4.065 -4.108 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.218 5.677 -2.275 1.00 0.00 C ATOM 0 H VAL A 91 -7.999 4.976 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.231 2.998 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.137 3.558 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.707 4.247 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.923 3.039 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.159 4.752 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.141 5.817 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.621 6.415 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.686 5.803 -1.299 1.00 0.00 H new ATOM 1187 N THR A 92 -8.877 4.567 -0.739 1.00 0.00 N ATOM 1188 CA THR A 92 -9.534 5.374 0.276 1.00 0.00 C ATOM 1189 C THR A 92 -8.970 5.041 1.660 1.00 0.00 C ATOM 1190 O THR A 92 -8.644 3.887 1.936 1.00 0.00 O ATOM 1191 CB THR A 92 -11.062 5.132 0.260 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.604 5.481 -1.022 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.764 5.934 1.347 1.00 0.00 C ATOM 0 H THR A 92 -8.495 3.687 -0.392 1.00 0.00 H new ATOM 0 HA THR A 92 -9.345 6.424 0.055 1.00 0.00 H new ATOM 0 HB THR A 92 -11.232 4.073 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.571 5.323 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.836 5.740 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.378 5.640 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.581 6.997 1.190 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.830 6.045 2.520 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.316 5.812 3.858 1.00 0.00 C ATOM 1203 C TYR A 93 -9.470 5.648 4.832 1.00 0.00 C ATOM 1204 O TYR A 93 -10.075 6.623 5.281 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.412 6.978 4.280 1.00 0.00 C ATOM 1206 CG TYR A 93 -6.881 6.879 5.694 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.132 5.784 6.104 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.117 7.892 6.615 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.634 5.701 7.390 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.625 7.815 7.903 1.00 0.00 C ATOM 1211 CZ TYR A 93 -5.884 6.719 8.285 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.381 6.642 9.563 1.00 0.00 O ATOM 0 H TYR A 93 -9.063 7.016 2.314 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.725 4.896 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.569 7.035 3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.970 7.909 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.935 4.984 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.695 8.755 6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.052 4.843 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.820 8.610 8.607 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.646 7.439 10.067 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.751 4.400 5.158 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.828 4.044 6.066 1.00 0.00 C ATOM 1224 C ASP A 94 -10.612 2.629 6.565 1.00 0.00 C ATOM 1225 O ASP A 94 -9.858 1.875 5.946 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.191 4.147 5.375 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.942 5.406 5.748 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.079 5.682 6.958 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -13.396 6.128 4.835 1.00 0.00 O ATOM 0 H ASP A 94 -9.235 3.598 4.798 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.821 4.741 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.049 4.121 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.794 3.278 5.639 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.246 2.244 7.681 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.239 0.856 8.137 1.00 0.00 C ATOM 1236 C PRO A 95 -11.720 -0.072 7.026 1.00 0.00 C ATOM 1237 O PRO A 95 -12.794 0.136 6.450 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.226 0.846 9.314 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.966 2.138 9.227 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.021 3.107 8.581 1.00 0.00 C ATOM 0 HA PRO A 95 -10.245 0.510 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.908 -0.002 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.701 0.758 10.265 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.877 2.028 8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.266 2.484 10.216 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.551 3.889 8.037 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.385 3.604 9.314 1.00 0.00 H new