USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 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+ -112:sc= 1.18 (180deg=-0.602) USER MOD Set 1.2: A 93 TYR OH : rot 48:sc= 0.531 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 161:sc= -4.16! (180deg=-4.7!) USER MOD Set 3.1: A 48 ASN : amide:sc= 1.06! C(o=1.3!,f=-5.2!) USER MOD Set 3.2: A 55 ASN : amide:sc= 0.229 K(o=1.3,f=-5.2) USER MOD Set 4.1: A 33 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.64) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0709 K(o=-0.071,f=-0.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -7.03! C(o=-7!,f=-7.5!) USER MOD Single : A 32 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.78) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -91:sc= 0.964 USER MOD Single : A 43 CYS SG : rot 39:sc= -0.592 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= -1.17 K(o=-1.2,f=-5.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -123:sc= 0.835 USER MOD Single : A 54 SER OG : rot 70:sc= -0.353 USER MOD Single : A 60 THR OG1 : rot 94:sc= 1.05 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.286 F(o=-2.3!,f=-0.29) USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= 1.24 (180deg=-0.462) USER MOD Single : A 67 TYR OH : rot 11:sc= 1.21 USER MOD Single : A 70 MET CE :methyl -108:sc= -0.908 (180deg=-4.4!) USER MOD Single : A 71 GLN : amide:sc= -0.247 K(o=-0.25,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= 0.24 (180deg=0.0191) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -108:sc= -2.45 (180deg=-4.94!) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.185 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 11.920 -4.034 -8.207 1.00 0.00 N ATOM 47 CA VAL A 22 12.991 -3.283 -7.557 1.00 0.00 C ATOM 48 C VAL A 22 12.637 -3.038 -6.084 1.00 0.00 C ATOM 49 O VAL A 22 13.452 -2.561 -5.293 1.00 0.00 O ATOM 50 CB VAL A 22 13.239 -1.935 -8.281 1.00 0.00 C ATOM 51 CG1 VAL A 22 12.018 -1.045 -8.213 1.00 0.00 C ATOM 52 CG2 VAL A 22 14.457 -1.215 -7.720 1.00 0.00 C ATOM 0 HA VAL A 22 13.908 -3.870 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 22 13.438 -2.163 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.222 -0.107 -8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.176 -1.546 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.775 -0.840 -7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.600 -0.274 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.304 -1.013 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.340 -1.841 -7.847 1.00 0.00 H new ATOM 62 N LEU A 23 11.412 -3.404 -5.730 1.00 0.00 N ATOM 63 CA LEU A 23 10.884 -3.187 -4.390 1.00 0.00 C ATOM 64 C LEU A 23 11.523 -4.157 -3.395 1.00 0.00 C ATOM 65 O LEU A 23 10.937 -5.178 -3.038 1.00 0.00 O ATOM 66 CB LEU A 23 9.363 -3.368 -4.403 1.00 0.00 C ATOM 67 CG LEU A 23 8.637 -2.728 -5.596 1.00 0.00 C ATOM 68 CD1 LEU A 23 7.136 -2.943 -5.490 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.964 -1.245 -5.709 1.00 0.00 C ATOM 0 H LEU A 23 10.756 -3.860 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 23 11.124 -2.171 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.140 -4.435 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.956 -2.949 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 23 8.990 -3.217 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.641 -2.482 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.921 -4.012 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.768 -2.490 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.436 -0.820 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.653 -0.733 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.038 -1.119 -5.848 1.00 0.00 H new ATOM 81 N GLN A 24 12.732 -3.833 -2.966 1.00 0.00 N ATOM 82 CA GLN A 24 13.469 -4.677 -2.042 1.00 0.00 C ATOM 83 C GLN A 24 13.300 -4.200 -0.604 1.00 0.00 C ATOM 84 O GLN A 24 13.514 -3.028 -0.297 1.00 0.00 O ATOM 85 CB GLN A 24 14.951 -4.695 -2.411 1.00 0.00 C ATOM 86 CG GLN A 24 15.232 -5.280 -3.785 1.00 0.00 C ATOM 87 CD GLN A 24 14.841 -6.741 -3.887 1.00 0.00 C ATOM 88 OE1 GLN A 24 14.897 -7.481 -2.904 1.00 0.00 O ATOM 89 NE2 GLN A 24 14.442 -7.167 -5.075 1.00 0.00 N ATOM 0 H GLN A 24 13.226 -2.985 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 24 13.066 -5.687 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.338 -3.677 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.496 -5.271 -1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.688 -4.709 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.293 -5.175 -4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.410 -6.521 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.166 -8.141 -5.201 1.00 0.00 H new ATOM 98 N PHE A 25 12.911 -5.114 0.269 1.00 0.00 N ATOM 99 CA PHE A 25 12.752 -4.806 1.684 1.00 0.00 C ATOM 100 C PHE A 25 14.060 -5.051 2.414 1.00 0.00 C ATOM 101 O PHE A 25 14.661 -6.120 2.306 1.00 0.00 O ATOM 102 CB PHE A 25 11.626 -5.648 2.298 1.00 0.00 C ATOM 103 CG PHE A 25 10.342 -5.584 1.519 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.581 -4.428 1.512 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.900 -6.680 0.792 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.402 -4.363 0.795 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.721 -6.621 0.075 1.00 0.00 C ATOM 108 CZ PHE A 25 7.972 -5.460 0.076 1.00 0.00 C ATOM 0 H PHE A 25 12.698 -6.081 0.023 1.00 0.00 H new ATOM 0 HA PHE A 25 12.482 -3.755 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.952 -6.686 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.442 -5.308 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.913 -3.567 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.484 -7.589 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.817 -3.455 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.385 -7.481 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.051 -5.411 -0.485 1.00 0.00 H new ATOM 118 N LYS A 26 14.487 -4.019 3.139 1.00 0.00 N ATOM 119 CA LYS A 26 15.715 -4.035 3.921 1.00 0.00 C ATOM 120 C LYS A 26 15.784 -5.268 4.816 1.00 0.00 C ATOM 121 O LYS A 26 16.855 -5.819 5.058 1.00 0.00 O ATOM 122 CB LYS A 26 15.780 -2.740 4.744 1.00 0.00 C ATOM 123 CG LYS A 26 16.335 -2.898 6.145 1.00 0.00 C ATOM 124 CD LYS A 26 15.228 -2.790 7.181 1.00 0.00 C ATOM 125 CE LYS A 26 14.724 -1.367 7.348 1.00 0.00 C ATOM 126 NZ LYS A 26 13.539 -1.297 8.247 1.00 0.00 N ATOM 0 H LYS A 26 13.980 -3.136 3.199 1.00 0.00 H new ATOM 0 HA LYS A 26 16.576 -4.087 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.393 -2.016 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.776 -2.320 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.832 -3.864 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.089 -2.133 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.398 -3.434 6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.595 -3.157 8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.523 -0.745 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.463 -0.958 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.227 -0.309 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.767 -1.870 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.794 -1.663 9.186 1.00 0.00 H new ATOM 140 N ASP A 27 14.625 -5.674 5.297 1.00 0.00 N ATOM 141 CA ASP A 27 14.473 -6.891 6.067 1.00 0.00 C ATOM 142 C ASP A 27 12.996 -7.253 6.088 1.00 0.00 C ATOM 143 O ASP A 27 12.218 -6.697 5.307 1.00 0.00 O ATOM 144 CB ASP A 27 15.015 -6.733 7.498 1.00 0.00 C ATOM 145 CG ASP A 27 14.307 -5.655 8.301 1.00 0.00 C ATOM 146 OD1 ASP A 27 13.373 -5.017 7.770 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.695 -5.434 9.469 1.00 0.00 O ATOM 0 H ASP A 27 13.753 -5.162 5.162 1.00 0.00 H new ATOM 0 HA ASP A 27 15.053 -7.687 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.920 -7.685 8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.079 -6.500 7.451 1.00 0.00 H new ATOM 152 N GLU A 28 12.589 -8.145 6.971 1.00 0.00 N ATOM 153 CA GLU A 28 11.178 -8.482 7.078 1.00 0.00 C ATOM 154 C GLU A 28 10.409 -7.323 7.704 1.00 0.00 C ATOM 155 O GLU A 28 9.219 -7.153 7.450 1.00 0.00 O ATOM 156 CB GLU A 28 10.956 -9.770 7.887 1.00 0.00 C ATOM 157 CG GLU A 28 11.356 -9.675 9.353 1.00 0.00 C ATOM 158 CD GLU A 28 12.856 -9.674 9.555 1.00 0.00 C ATOM 159 OE1 GLU A 28 13.451 -10.763 9.632 1.00 0.00 O ATOM 160 OE2 GLU A 28 13.449 -8.579 9.634 1.00 0.00 O ATOM 0 H GLU A 28 13.202 -8.644 7.616 1.00 0.00 H new ATOM 0 HA GLU A 28 10.803 -8.661 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.902 -10.043 7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.521 -10.578 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.936 -8.765 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.922 -10.513 9.898 1.00 0.00 H new ATOM 167 N ALA A 29 11.104 -6.507 8.491 1.00 0.00 N ATOM 168 CA ALA A 29 10.488 -5.365 9.153 1.00 0.00 C ATOM 169 C ALA A 29 10.040 -4.326 8.136 1.00 0.00 C ATOM 170 O ALA A 29 8.971 -3.730 8.279 1.00 0.00 O ATOM 171 CB ALA A 29 11.445 -4.734 10.148 1.00 0.00 C ATOM 0 H ALA A 29 12.099 -6.618 8.686 1.00 0.00 H new ATOM 0 HA ALA A 29 9.613 -5.728 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.961 -3.884 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.721 -5.469 10.904 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.340 -4.395 9.627 1.00 0.00 H new ATOM 177 N GLN A 30 10.857 -4.109 7.101 1.00 0.00 N ATOM 178 CA GLN A 30 10.480 -3.183 6.039 1.00 0.00 C ATOM 179 C GLN A 30 9.221 -3.694 5.356 1.00 0.00 C ATOM 180 O GLN A 30 8.355 -2.925 4.940 1.00 0.00 O ATOM 181 CB GLN A 30 11.588 -3.004 4.992 1.00 0.00 C ATOM 182 CG GLN A 30 11.462 -1.678 4.271 1.00 0.00 C ATOM 183 CD GLN A 30 12.637 -1.367 3.374 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.627 -0.790 3.809 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.524 -1.727 2.107 1.00 0.00 N ATOM 0 H GLN A 30 11.767 -4.555 6.980 1.00 0.00 H new ATOM 0 HA GLN A 30 10.306 -2.210 6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.562 -3.064 5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.542 -3.818 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.550 -1.683 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.356 -0.881 5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.682 -2.206 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.278 -1.526 1.451 1.00 0.00 H new ATOM 194 N GLU A 31 9.126 -5.012 5.273 1.00 0.00 N ATOM 195 CA GLU A 31 7.968 -5.662 4.693 1.00 0.00 C ATOM 196 C GLU A 31 6.761 -5.561 5.632 1.00 0.00 C ATOM 197 O GLU A 31 5.618 -5.582 5.187 1.00 0.00 O ATOM 198 CB GLU A 31 8.299 -7.123 4.377 1.00 0.00 C ATOM 199 CG GLU A 31 7.104 -7.924 3.888 1.00 0.00 C ATOM 200 CD GLU A 31 7.434 -9.375 3.610 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.836 -10.086 4.553 1.00 0.00 O ATOM 202 OE2 GLU A 31 7.318 -9.799 2.442 1.00 0.00 O ATOM 0 H GLU A 31 9.846 -5.655 5.604 1.00 0.00 H new ATOM 0 HA GLU A 31 7.706 -5.155 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.082 -7.154 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.703 -7.597 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.311 -7.875 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.715 -7.466 2.979 1.00 0.00 H new ATOM 209 N GLN A 32 7.022 -5.432 6.931 1.00 0.00 N ATOM 210 CA GLN A 32 5.956 -5.250 7.912 1.00 0.00 C ATOM 211 C GLN A 32 5.378 -3.850 7.791 1.00 0.00 C ATOM 212 O GLN A 32 4.174 -3.647 7.944 1.00 0.00 O ATOM 213 CB GLN A 32 6.483 -5.454 9.329 1.00 0.00 C ATOM 214 CG GLN A 32 7.112 -6.811 9.564 1.00 0.00 C ATOM 215 CD GLN A 32 7.556 -7.004 10.997 1.00 0.00 C ATOM 216 OE1 GLN A 32 7.919 -6.046 11.683 1.00 0.00 O ATOM 217 NE2 GLN A 32 7.524 -8.243 11.461 1.00 0.00 N ATOM 0 H GLN A 32 7.961 -5.450 7.328 1.00 0.00 H new ATOM 0 HA GLN A 32 5.180 -5.990 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.220 -4.681 9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.662 -5.319 10.034 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.396 -7.590 9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.970 -6.930 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.216 -9.006 10.858 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.807 -8.435 12.422 1.00 0.00 H new ATOM 226 N GLN A 33 6.249 -2.883 7.533 1.00 0.00 N ATOM 227 CA GLN A 33 5.805 -1.534 7.221 1.00 0.00 C ATOM 228 C GLN A 33 4.947 -1.572 5.972 1.00 0.00 C ATOM 229 O GLN A 33 3.872 -0.981 5.919 1.00 0.00 O ATOM 230 CB GLN A 33 6.997 -0.605 7.010 1.00 0.00 C ATOM 231 CG GLN A 33 6.623 0.744 6.422 1.00 0.00 C ATOM 232 CD GLN A 33 7.808 1.682 6.320 1.00 0.00 C ATOM 233 OE1 GLN A 33 8.957 1.250 6.219 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.533 2.976 6.326 1.00 0.00 N ATOM 0 H GLN A 33 7.261 -3.008 7.534 1.00 0.00 H new ATOM 0 HA GLN A 33 5.222 -1.149 8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.498 -0.449 7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.714 -1.093 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.193 0.598 5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.852 1.204 7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.567 3.292 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.287 3.658 6.245 1.00 0.00 H new ATOM 243 N PHE A 34 5.429 -2.314 4.984 1.00 0.00 N ATOM 244 CA PHE A 34 4.697 -2.532 3.750 1.00 0.00 C ATOM 245 C PHE A 34 3.342 -3.156 4.058 1.00 0.00 C ATOM 246 O PHE A 34 2.334 -2.778 3.472 1.00 0.00 O ATOM 247 CB PHE A 34 5.518 -3.445 2.833 1.00 0.00 C ATOM 248 CG PHE A 34 4.894 -3.717 1.496 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.990 -2.792 0.471 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.228 -4.908 1.260 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.430 -3.047 -0.765 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.664 -5.169 0.027 1.00 0.00 C ATOM 253 CZ PHE A 34 3.767 -4.237 -0.987 1.00 0.00 C ATOM 0 H PHE A 34 6.336 -2.779 5.018 1.00 0.00 H new ATOM 0 HA PHE A 34 4.530 -1.581 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.498 -2.993 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.683 -4.395 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.509 -1.860 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.149 -5.641 2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.511 -2.317 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.144 -6.100 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.329 -4.439 -1.953 1.00 0.00 H new ATOM 263 N ARG A 35 3.338 -4.091 5.007 1.00 0.00 N ATOM 264 CA ARG A 35 2.117 -4.759 5.455 1.00 0.00 C ATOM 265 C ARG A 35 1.077 -3.744 5.919 1.00 0.00 C ATOM 266 O ARG A 35 -0.054 -3.745 5.450 1.00 0.00 O ATOM 267 CB ARG A 35 2.450 -5.703 6.618 1.00 0.00 C ATOM 268 CG ARG A 35 2.312 -7.180 6.302 1.00 0.00 C ATOM 269 CD ARG A 35 3.155 -7.586 5.110 1.00 0.00 C ATOM 270 NE ARG A 35 2.374 -8.353 4.139 1.00 0.00 N ATOM 271 CZ ARG A 35 2.886 -8.957 3.067 1.00 0.00 C ATOM 272 NH1 ARG A 35 4.182 -8.865 2.799 1.00 0.00 N ATOM 273 NH2 ARG A 35 2.102 -9.667 2.270 1.00 0.00 N ATOM 0 H ARG A 35 4.181 -4.407 5.487 1.00 0.00 H new ATOM 0 HA ARG A 35 1.706 -5.322 4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.473 -5.510 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.799 -5.464 7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.608 -7.766 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.266 -7.412 6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.562 -6.696 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.003 -8.181 5.448 1.00 0.00 H new ATOM 0 HE ARG A 35 1.369 -8.431 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.793 -8.329 3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.567 -9.330 1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.107 -9.751 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.493 -10.129 1.449 1.00 0.00 H new ATOM 287 N GLN A 36 1.484 -2.846 6.802 1.00 0.00 N ATOM 288 CA GLN A 36 0.561 -1.874 7.375 1.00 0.00 C ATOM 289 C GLN A 36 0.154 -0.841 6.343 1.00 0.00 C ATOM 290 O GLN A 36 -1.015 -0.467 6.247 1.00 0.00 O ATOM 291 CB GLN A 36 1.200 -1.174 8.572 1.00 0.00 C ATOM 292 CG GLN A 36 1.620 -2.120 9.681 1.00 0.00 C ATOM 293 CD GLN A 36 2.333 -1.400 10.804 1.00 0.00 C ATOM 294 OE1 GLN A 36 3.558 -1.272 10.796 1.00 0.00 O ATOM 295 NE2 GLN A 36 1.571 -0.903 11.763 1.00 0.00 N ATOM 0 H GLN A 36 2.444 -2.768 7.138 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.328 -2.411 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.073 -0.617 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.495 -0.447 8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.740 -2.627 10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.274 -2.890 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.560 -1.033 11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.994 -0.390 12.536 1.00 0.00 H new ATOM 304 N LEU A 37 1.122 -0.405 5.557 1.00 0.00 N ATOM 305 CA LEU A 37 0.897 0.641 4.578 1.00 0.00 C ATOM 306 C LEU A 37 -0.036 0.164 3.466 1.00 0.00 C ATOM 307 O LEU A 37 -0.687 0.969 2.803 1.00 0.00 O ATOM 308 CB LEU A 37 2.234 1.128 4.014 1.00 0.00 C ATOM 309 CG LEU A 37 3.183 1.755 5.039 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.428 2.295 4.356 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.486 2.845 5.837 1.00 0.00 C ATOM 0 H LEU A 37 2.077 -0.762 5.579 1.00 0.00 H new ATOM 0 HA LEU A 37 0.407 1.480 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.740 0.286 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.035 1.860 3.231 1.00 0.00 H new ATOM 0 HG LEU A 37 3.487 0.975 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.089 2.736 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.946 1.482 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.143 3.055 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.184 3.272 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.139 3.626 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.634 2.420 6.367 1.00 0.00 H new ATOM 323 N THR A 38 -0.106 -1.147 3.266 1.00 0.00 N ATOM 324 CA THR A 38 -1.023 -1.704 2.286 1.00 0.00 C ATOM 325 C THR A 38 -2.343 -2.138 2.929 1.00 0.00 C ATOM 326 O THR A 38 -3.362 -2.238 2.247 1.00 0.00 O ATOM 327 CB THR A 38 -0.419 -2.901 1.530 1.00 0.00 C ATOM 328 OG1 THR A 38 0.225 -3.799 2.436 1.00 0.00 O ATOM 329 CG2 THR A 38 0.560 -2.439 0.465 1.00 0.00 C ATOM 0 H THR A 38 0.456 -1.836 3.765 1.00 0.00 H new ATOM 0 HA THR A 38 -1.214 -0.902 1.573 1.00 0.00 H new ATOM 0 HB THR A 38 -1.236 -3.428 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.170 -3.554 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.971 -3.306 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.044 -1.800 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.369 -1.879 0.933 1.00 0.00 H new ATOM 337 N GLU A 39 -2.326 -2.396 4.241 1.00 0.00 N ATOM 338 CA GLU A 39 -3.516 -2.889 4.935 1.00 0.00 C ATOM 339 C GLU A 39 -4.412 -1.758 5.428 1.00 0.00 C ATOM 340 O GLU A 39 -5.633 -1.916 5.479 1.00 0.00 O ATOM 341 CB GLU A 39 -3.135 -3.802 6.100 1.00 0.00 C ATOM 342 CG GLU A 39 -2.727 -5.199 5.657 1.00 0.00 C ATOM 343 CD GLU A 39 -2.411 -6.116 6.819 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.322 -6.400 7.623 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.257 -6.584 6.919 1.00 0.00 O ATOM 0 H GLU A 39 -1.508 -2.272 4.838 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.084 -3.465 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.313 -3.349 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.979 -3.877 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.530 -5.636 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.854 -5.129 5.008 1.00 0.00 H new ATOM 352 N GLU A 40 -3.821 -0.621 5.790 1.00 0.00 N ATOM 353 CA GLU A 40 -4.615 0.536 6.203 1.00 0.00 C ATOM 354 C GLU A 40 -5.238 1.217 4.990 1.00 0.00 C ATOM 355 O GLU A 40 -6.043 2.138 5.119 1.00 0.00 O ATOM 356 CB GLU A 40 -3.778 1.541 7.004 1.00 0.00 C ATOM 357 CG GLU A 40 -3.507 1.104 8.437 1.00 0.00 C ATOM 358 CD GLU A 40 -2.933 2.214 9.299 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.442 3.356 9.235 1.00 0.00 O ATOM 360 OE2 GLU A 40 -1.985 1.948 10.071 1.00 0.00 O ATOM 0 H GLU A 40 -2.812 -0.476 5.806 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.410 0.172 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.827 1.697 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.293 2.501 7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.435 0.748 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.814 0.263 8.429 1.00 0.00 H new ATOM 367 N LEU A 41 -4.876 0.744 3.808 1.00 0.00 N ATOM 368 CA LEU A 41 -5.400 1.300 2.579 1.00 0.00 C ATOM 369 C LEU A 41 -6.527 0.433 2.028 1.00 0.00 C ATOM 370 O LEU A 41 -6.367 -0.775 1.845 1.00 0.00 O ATOM 371 CB LEU A 41 -4.286 1.457 1.542 1.00 0.00 C ATOM 372 CG LEU A 41 -4.746 1.892 0.153 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.645 3.110 0.249 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.544 2.178 -0.726 1.00 0.00 C ATOM 0 H LEU A 41 -4.219 -0.026 3.678 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.808 2.287 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.566 2.186 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.759 0.507 1.452 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.320 1.083 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.964 3.407 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.520 2.870 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.098 3.930 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.882 2.488 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.948 2.975 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.936 1.278 -0.816 1.00 0.00 H new ATOM 386 N ARG A 42 -7.663 1.070 1.770 1.00 0.00 N ATOM 387 CA ARG A 42 -8.814 0.400 1.194 1.00 0.00 C ATOM 388 C ARG A 42 -8.751 0.407 -0.321 1.00 0.00 C ATOM 389 O ARG A 42 -8.434 1.429 -0.937 1.00 0.00 O ATOM 390 CB ARG A 42 -10.121 1.083 1.602 1.00 0.00 C ATOM 391 CG ARG A 42 -10.939 0.344 2.642 1.00 0.00 C ATOM 392 CD ARG A 42 -12.394 0.788 2.579 1.00 0.00 C ATOM 393 NE ARG A 42 -13.196 0.275 3.688 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.518 0.111 3.643 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.192 0.379 2.533 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.166 -0.301 4.723 1.00 0.00 N ATOM 0 H ARG A 42 -7.808 2.063 1.955 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.792 -0.623 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.889 2.077 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.734 1.220 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.871 -0.731 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.535 0.536 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.436 1.877 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.830 0.454 1.638 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.713 0.027 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.699 0.713 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.204 0.251 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.653 -0.491 5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.178 -0.428 4.693 1.00 0.00 H new ATOM 410 N CYS A 43 -9.058 -0.729 -0.913 1.00 0.00 N ATOM 411 CA CYS A 43 -9.317 -0.795 -2.335 1.00 0.00 C ATOM 412 C CYS A 43 -10.828 -0.888 -2.542 1.00 0.00 C ATOM 413 O CYS A 43 -11.518 -1.503 -1.729 1.00 0.00 O ATOM 414 CB CYS A 43 -8.598 -1.996 -2.959 1.00 0.00 C ATOM 415 SG CYS A 43 -8.892 -3.565 -2.112 1.00 0.00 S ATOM 0 H CYS A 43 -9.134 -1.623 -0.428 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.936 0.099 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.913 -2.093 -3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.526 -1.798 -2.969 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.135 -3.629 -1.736 1.00 0.00 H new ATOM 421 N PRO A 44 -11.366 -0.241 -3.591 1.00 0.00 N ATOM 422 CA PRO A 44 -12.812 -0.230 -3.877 1.00 0.00 C ATOM 423 C PRO A 44 -13.345 -1.611 -4.251 1.00 0.00 C ATOM 424 O PRO A 44 -13.657 -1.881 -5.409 1.00 0.00 O ATOM 425 CB PRO A 44 -12.941 0.736 -5.063 1.00 0.00 C ATOM 426 CG PRO A 44 -11.663 1.505 -5.074 1.00 0.00 C ATOM 427 CD PRO A 44 -10.619 0.552 -4.574 1.00 0.00 C ATOM 0 HA PRO A 44 -13.392 0.070 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.085 0.196 -5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.799 1.397 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.425 1.857 -6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.729 2.386 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.217 -0.068 -5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.776 1.073 -4.120 1.00 0.00 H new ATOM 435 N LYS A 45 -13.436 -2.479 -3.256 1.00 0.00 N ATOM 436 CA LYS A 45 -13.887 -3.842 -3.452 1.00 0.00 C ATOM 437 C LYS A 45 -14.472 -4.378 -2.148 1.00 0.00 C ATOM 438 O LYS A 45 -14.072 -3.954 -1.066 1.00 0.00 O ATOM 439 CB LYS A 45 -12.713 -4.716 -3.893 1.00 0.00 C ATOM 440 CG LYS A 45 -13.130 -6.083 -4.403 1.00 0.00 C ATOM 441 CD LYS A 45 -13.729 -6.008 -5.796 1.00 0.00 C ATOM 442 CE LYS A 45 -14.317 -7.343 -6.215 1.00 0.00 C ATOM 443 NZ LYS A 45 -14.599 -7.385 -7.674 1.00 0.00 N ATOM 0 H LYS A 45 -13.198 -2.255 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.655 -3.862 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.160 -4.198 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.031 -4.844 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.265 -6.746 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.857 -6.520 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.505 -5.243 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.961 -5.706 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.625 -8.144 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.238 -7.525 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.000 -8.312 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.279 -6.637 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.716 -7.236 -8.203 1.00 0.00 H new ATOM 457 N CYS A 46 -15.426 -5.295 -2.256 1.00 0.00 N ATOM 458 CA CYS A 46 -16.023 -5.923 -1.082 1.00 0.00 C ATOM 459 C CYS A 46 -15.370 -7.271 -0.818 1.00 0.00 C ATOM 460 O CYS A 46 -15.424 -7.803 0.291 1.00 0.00 O ATOM 461 CB CYS A 46 -17.526 -6.094 -1.292 1.00 0.00 C ATOM 462 SG CYS A 46 -18.397 -4.540 -1.609 1.00 0.00 S ATOM 0 H CYS A 46 -15.804 -5.621 -3.146 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.859 -5.283 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.692 -6.771 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.956 -6.568 -0.409 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.664 -4.779 -1.777 1.00 0.00 H new ATOM 468 N GLN A 47 -14.749 -7.818 -1.851 1.00 0.00 N ATOM 469 CA GLN A 47 -14.070 -9.096 -1.748 1.00 0.00 C ATOM 470 C GLN A 47 -12.572 -8.904 -1.543 1.00 0.00 C ATOM 471 O GLN A 47 -11.827 -9.864 -1.354 1.00 0.00 O ATOM 472 CB GLN A 47 -14.352 -9.928 -2.995 1.00 0.00 C ATOM 473 CG GLN A 47 -15.800 -10.378 -3.089 1.00 0.00 C ATOM 474 CD GLN A 47 -16.152 -11.453 -2.074 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.589 -11.507 -0.980 1.00 0.00 O ATOM 476 NE2 GLN A 47 -17.082 -12.321 -2.432 1.00 0.00 N ATOM 0 H GLN A 47 -14.702 -7.391 -2.776 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.451 -9.629 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.100 -9.344 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.704 -10.804 -2.996 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.453 -9.518 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.993 -10.756 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.526 -12.244 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.356 -13.068 -1.793 1.00 0.00 H new ATOM 485 N ASN A 48 -12.147 -7.649 -1.573 1.00 0.00 N ATOM 486 CA ASN A 48 -10.756 -7.278 -1.340 1.00 0.00 C ATOM 487 C ASN A 48 -10.716 -6.068 -0.419 1.00 0.00 C ATOM 488 O ASN A 48 -11.242 -5.009 -0.759 1.00 0.00 O ATOM 489 CB ASN A 48 -10.049 -6.950 -2.662 1.00 0.00 C ATOM 490 CG ASN A 48 -9.291 -8.124 -3.272 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.316 -7.928 -3.996 1.00 0.00 O ATOM 492 ND2 ASN A 48 -9.719 -9.346 -2.992 1.00 0.00 N ATOM 0 H ASN A 48 -12.759 -6.855 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.237 -8.117 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.790 -6.598 -3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.352 -6.129 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.237 -10.157 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.531 -9.476 -2.388 1.00 0.00 H new ATOM 499 N ASN A 49 -10.118 -6.232 0.750 1.00 0.00 N ATOM 500 CA ASN A 49 -10.104 -5.171 1.751 1.00 0.00 C ATOM 501 C ASN A 49 -8.935 -4.228 1.529 1.00 0.00 C ATOM 502 O ASN A 49 -9.108 -3.014 1.415 1.00 0.00 O ATOM 503 CB ASN A 49 -10.002 -5.760 3.161 1.00 0.00 C ATOM 504 CG ASN A 49 -11.181 -6.633 3.535 1.00 0.00 C ATOM 505 OD1 ASN A 49 -12.173 -6.155 4.085 1.00 0.00 O ATOM 506 ND2 ASN A 49 -11.074 -7.921 3.253 1.00 0.00 N ATOM 0 H ASN A 49 -9.636 -7.086 1.031 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.037 -4.617 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.087 -6.347 3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.919 -4.946 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.832 -8.560 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.234 -8.275 2.796 1.00 0.00 H new ATOM 513 N SER A 50 -7.746 -4.802 1.465 1.00 0.00 N ATOM 514 CA SER A 50 -6.522 -4.027 1.389 1.00 0.00 C ATOM 515 C SER A 50 -5.666 -4.501 0.219 1.00 0.00 C ATOM 516 O SER A 50 -5.778 -5.648 -0.215 1.00 0.00 O ATOM 517 CB SER A 50 -5.753 -4.181 2.700 1.00 0.00 C ATOM 518 OG SER A 50 -6.616 -4.044 3.817 1.00 0.00 O ATOM 0 H SER A 50 -7.603 -5.812 1.464 1.00 0.00 H new ATOM 0 HA SER A 50 -6.767 -2.977 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.268 -5.157 2.728 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.963 -3.431 2.752 1.00 0.00 H new ATOM 0 HG SER A 50 -6.292 -3.322 4.394 1.00 0.00 H new ATOM 524 N ILE A 51 -4.799 -3.620 -0.272 1.00 0.00 N ATOM 525 CA ILE A 51 -3.956 -3.925 -1.429 1.00 0.00 C ATOM 526 C ILE A 51 -2.757 -4.793 -1.038 1.00 0.00 C ATOM 527 O ILE A 51 -1.879 -5.054 -1.857 1.00 0.00 O ATOM 528 CB ILE A 51 -3.435 -2.642 -2.113 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.574 -1.827 -1.144 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.600 -1.810 -2.635 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.843 -0.680 -1.804 1.00 0.00 C ATOM 0 H ILE A 51 -4.660 -2.686 0.113 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.588 -4.473 -2.128 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.812 -2.928 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.208 -1.434 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.846 -2.488 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.218 -0.909 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.168 -2.394 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.249 -1.532 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.253 -0.147 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.182 -1.068 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.566 0.003 -2.251 1.00 0.00 H new ATOM 543 N ALA A 52 -2.729 -5.230 0.216 1.00 0.00 N ATOM 544 CA ALA A 52 -1.638 -6.053 0.725 1.00 0.00 C ATOM 545 C ALA A 52 -1.616 -7.415 0.048 1.00 0.00 C ATOM 546 O ALA A 52 -0.631 -7.788 -0.584 1.00 0.00 O ATOM 547 CB ALA A 52 -1.762 -6.216 2.233 1.00 0.00 C ATOM 0 H ALA A 52 -3.455 -5.026 0.903 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.699 -5.548 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.942 -6.832 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.722 -5.236 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.711 -6.696 2.470 1.00 0.00 H new ATOM 553 N ASP A 53 -2.714 -8.146 0.176 1.00 0.00 N ATOM 554 CA ASP A 53 -2.822 -9.471 -0.417 1.00 0.00 C ATOM 555 C ASP A 53 -3.982 -9.476 -1.399 1.00 0.00 C ATOM 556 O ASP A 53 -4.767 -10.420 -1.471 1.00 0.00 O ATOM 557 CB ASP A 53 -3.036 -10.524 0.674 1.00 0.00 C ATOM 558 CG ASP A 53 -2.473 -11.879 0.297 1.00 0.00 C ATOM 559 OD1 ASP A 53 -1.238 -12.061 0.352 1.00 0.00 O ATOM 560 OD2 ASP A 53 -3.265 -12.764 -0.089 1.00 0.00 O ATOM 0 H ASP A 53 -3.544 -7.843 0.686 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.900 -9.715 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.567 -10.185 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.103 -10.621 0.875 1.00 0.00 H new ATOM 565 N SER A 54 -4.091 -8.386 -2.139 1.00 0.00 N ATOM 566 CA SER A 54 -5.192 -8.177 -3.063 1.00 0.00 C ATOM 567 C SER A 54 -5.021 -8.993 -4.344 1.00 0.00 C ATOM 568 O SER A 54 -3.927 -9.461 -4.663 1.00 0.00 O ATOM 569 CB SER A 54 -5.281 -6.692 -3.395 1.00 0.00 C ATOM 570 OG SER A 54 -3.997 -6.178 -3.688 1.00 0.00 O ATOM 0 H SER A 54 -3.418 -7.620 -2.116 1.00 0.00 H new ATOM 0 HA SER A 54 -6.113 -8.513 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.944 -6.542 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.714 -6.150 -2.555 1.00 0.00 H new ATOM 0 HG SER A 54 -3.687 -6.540 -4.544 1.00 0.00 H new ATOM 576 N ASN A 55 -6.119 -9.151 -5.071 1.00 0.00 N ATOM 577 CA ASN A 55 -6.119 -9.885 -6.332 1.00 0.00 C ATOM 578 C ASN A 55 -6.070 -8.920 -7.508 1.00 0.00 C ATOM 579 O ASN A 55 -6.153 -9.327 -8.667 1.00 0.00 O ATOM 580 CB ASN A 55 -7.372 -10.759 -6.443 1.00 0.00 C ATOM 581 CG ASN A 55 -7.442 -11.835 -5.377 1.00 0.00 C ATOM 582 OD1 ASN A 55 -7.972 -11.615 -4.285 1.00 0.00 O ATOM 583 ND2 ASN A 55 -6.915 -13.010 -5.685 1.00 0.00 N ATOM 0 H ASN A 55 -7.030 -8.777 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.235 -10.522 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.257 -10.126 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.395 -11.228 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.939 -13.773 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.486 -13.152 -6.599 1.00 0.00 H new ATOM 590 N SER A 56 -5.943 -7.637 -7.206 1.00 0.00 N ATOM 591 CA SER A 56 -5.917 -6.620 -8.236 1.00 0.00 C ATOM 592 C SER A 56 -4.492 -6.357 -8.695 1.00 0.00 C ATOM 593 O SER A 56 -3.582 -6.168 -7.889 1.00 0.00 O ATOM 594 CB SER A 56 -6.553 -5.329 -7.728 1.00 0.00 C ATOM 595 OG SER A 56 -6.581 -4.340 -8.746 1.00 0.00 O ATOM 0 H SER A 56 -5.857 -7.279 -6.255 1.00 0.00 H new ATOM 0 HA SER A 56 -6.493 -6.983 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.567 -5.530 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.993 -4.957 -6.870 1.00 0.00 H new ATOM 0 HG SER A 56 -6.994 -3.523 -8.397 1.00 0.00 H new ATOM 601 N MET A 57 -4.324 -6.354 -10.007 1.00 0.00 N ATOM 602 CA MET A 57 -3.040 -6.095 -10.638 1.00 0.00 C ATOM 603 C MET A 57 -2.596 -4.670 -10.357 1.00 0.00 C ATOM 604 O MET A 57 -1.417 -4.397 -10.149 1.00 0.00 O ATOM 605 CB MET A 57 -3.149 -6.290 -12.150 1.00 0.00 C ATOM 606 CG MET A 57 -4.238 -7.261 -12.569 1.00 0.00 C ATOM 607 SD MET A 57 -5.582 -6.453 -13.471 1.00 0.00 S ATOM 608 CE MET A 57 -6.432 -5.580 -12.156 1.00 0.00 C ATOM 0 H MET A 57 -5.079 -6.532 -10.669 1.00 0.00 H new ATOM 0 HA MET A 57 -2.309 -6.793 -10.229 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.338 -5.324 -12.618 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.192 -6.647 -12.530 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.803 -8.041 -13.194 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.643 -7.751 -11.684 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.051 -4.791 -12.584 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.063 -6.277 -11.605 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.700 -5.140 -11.479 1.00 0.00 H new ATOM 618 N ILE A 58 -3.571 -3.774 -10.335 1.00 0.00 N ATOM 619 CA ILE A 58 -3.319 -2.353 -10.166 1.00 0.00 C ATOM 620 C ILE A 58 -2.852 -2.065 -8.740 1.00 0.00 C ATOM 621 O ILE A 58 -2.125 -1.102 -8.502 1.00 0.00 O ATOM 622 CB ILE A 58 -4.567 -1.508 -10.562 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.362 -1.032 -9.348 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.469 -2.303 -11.494 1.00 0.00 C ATOM 625 CD1 ILE A 58 -4.871 0.291 -8.805 1.00 0.00 C ATOM 0 H ILE A 58 -4.558 -4.012 -10.434 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.517 -2.056 -10.841 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.199 -0.620 -11.076 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.413 -0.939 -9.622 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.303 -1.786 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.337 -1.700 -11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.918 -2.567 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.800 -3.212 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.474 0.577 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.828 0.196 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.956 1.055 -9.577 1.00 0.00 H new ATOM 637 N ALA A 59 -3.265 -2.915 -7.796 1.00 0.00 N ATOM 638 CA ALA A 59 -2.853 -2.774 -6.403 1.00 0.00 C ATOM 639 C ALA A 59 -1.330 -2.759 -6.294 1.00 0.00 C ATOM 640 O ALA A 59 -0.764 -2.112 -5.414 1.00 0.00 O ATOM 641 CB ALA A 59 -3.424 -3.903 -5.561 1.00 0.00 C ATOM 0 H ALA A 59 -3.884 -3.706 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.240 -1.827 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.106 -3.781 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.513 -3.880 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.063 -4.859 -5.941 1.00 0.00 H new ATOM 647 N THR A 60 -0.674 -3.473 -7.201 1.00 0.00 N ATOM 648 CA THR A 60 0.778 -3.504 -7.255 1.00 0.00 C ATOM 649 C THR A 60 1.351 -2.119 -7.560 1.00 0.00 C ATOM 650 O THR A 60 2.319 -1.692 -6.931 1.00 0.00 O ATOM 651 CB THR A 60 1.254 -4.515 -8.307 1.00 0.00 C ATOM 652 OG1 THR A 60 0.762 -5.817 -7.968 1.00 0.00 O ATOM 653 CG2 THR A 60 2.770 -4.541 -8.387 1.00 0.00 C ATOM 0 H THR A 60 -1.131 -4.042 -7.913 1.00 0.00 H new ATOM 0 HA THR A 60 1.141 -3.814 -6.275 1.00 0.00 H new ATOM 0 HB THR A 60 0.868 -4.216 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.080 -5.982 -8.442 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.082 -5.265 -9.139 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.137 -3.552 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.181 -4.825 -7.418 1.00 0.00 H new ATOM 661 N ASP A 61 0.738 -1.422 -8.513 1.00 0.00 N ATOM 662 CA ASP A 61 1.151 -0.063 -8.871 1.00 0.00 C ATOM 663 C ASP A 61 1.100 0.839 -7.642 1.00 0.00 C ATOM 664 O ASP A 61 2.019 1.616 -7.382 1.00 0.00 O ATOM 665 CB ASP A 61 0.236 0.511 -9.958 1.00 0.00 C ATOM 666 CG ASP A 61 0.809 1.766 -10.599 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.711 1.649 -11.452 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.356 2.881 -10.244 1.00 0.00 O ATOM 0 H ASP A 61 -0.050 -1.776 -9.055 1.00 0.00 H new ATOM 0 HA ASP A 61 2.171 -0.106 -9.252 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.073 -0.244 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.738 0.740 -9.525 1.00 0.00 H new ATOM 673 N LEU A 62 0.019 0.700 -6.882 1.00 0.00 N ATOM 674 CA LEU A 62 -0.174 1.460 -5.653 1.00 0.00 C ATOM 675 C LEU A 62 0.880 1.085 -4.620 1.00 0.00 C ATOM 676 O LEU A 62 1.423 1.939 -3.923 1.00 0.00 O ATOM 677 CB LEU A 62 -1.565 1.178 -5.082 1.00 0.00 C ATOM 678 CG LEU A 62 -2.723 1.352 -6.058 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.038 1.041 -5.363 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.736 2.762 -6.625 1.00 0.00 C ATOM 0 H LEU A 62 -0.745 0.060 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.080 2.521 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.583 0.156 -4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.729 1.837 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.592 0.656 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.860 1.168 -6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.024 0.013 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.174 1.719 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.569 2.867 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.848 3.480 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.800 2.952 -7.150 1.00 0.00 H new ATOM 692 N ARG A 63 1.168 -0.206 -4.533 1.00 0.00 N ATOM 693 CA ARG A 63 2.150 -0.714 -3.587 1.00 0.00 C ATOM 694 C ARG A 63 3.546 -0.189 -3.900 1.00 0.00 C ATOM 695 O ARG A 63 4.381 -0.060 -3.003 1.00 0.00 O ATOM 696 CB ARG A 63 2.125 -2.239 -3.567 1.00 0.00 C ATOM 697 CG ARG A 63 0.880 -2.787 -2.892 1.00 0.00 C ATOM 698 CD ARG A 63 0.901 -4.298 -2.781 1.00 0.00 C ATOM 699 NE ARG A 63 0.690 -4.953 -4.077 1.00 0.00 N ATOM 700 CZ ARG A 63 0.422 -6.254 -4.228 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.273 -7.034 -3.167 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.288 -6.769 -5.445 1.00 0.00 N ATOM 0 H ARG A 63 0.732 -0.925 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 63 1.885 -0.353 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.176 -2.614 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.009 -2.608 -3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.789 -2.353 -1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.001 -2.479 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.857 -4.617 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.128 -4.620 -2.083 1.00 0.00 H new ATOM 0 HE ARG A 63 0.752 -4.378 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.363 -6.642 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.069 -8.026 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.390 -6.172 -6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.084 -7.762 -5.559 1.00 0.00 H new ATOM 716 N GLN A 64 3.801 0.104 -5.170 1.00 0.00 N ATOM 717 CA GLN A 64 5.046 0.750 -5.566 1.00 0.00 C ATOM 718 C GLN A 64 5.148 2.118 -4.909 1.00 0.00 C ATOM 719 O GLN A 64 6.212 2.502 -4.425 1.00 0.00 O ATOM 720 CB GLN A 64 5.122 0.910 -7.081 1.00 0.00 C ATOM 721 CG GLN A 64 4.973 -0.387 -7.859 1.00 0.00 C ATOM 722 CD GLN A 64 4.899 -0.149 -9.355 1.00 0.00 C ATOM 723 OE1 GLN A 64 4.360 0.999 -9.741 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 5.311 -0.987 -10.156 1.00 0.00 N flip ATOM 0 H GLN A 64 3.164 -0.095 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 64 5.874 0.120 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.343 1.602 -7.400 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.078 1.366 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.816 -1.041 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.073 -0.905 -7.530 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.719 -1.858 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.244 -0.810 -11.158 1.00 0.00 H new ATOM 733 N LYS A 65 4.028 2.841 -4.881 1.00 0.00 N ATOM 734 CA LYS A 65 3.982 4.139 -4.222 1.00 0.00 C ATOM 735 C LYS A 65 4.363 3.981 -2.763 1.00 0.00 C ATOM 736 O LYS A 65 5.201 4.714 -2.254 1.00 0.00 O ATOM 737 CB LYS A 65 2.594 4.770 -4.317 1.00 0.00 C ATOM 738 CG LYS A 65 2.496 6.142 -3.653 1.00 0.00 C ATOM 739 CD LYS A 65 2.965 7.252 -4.588 1.00 0.00 C ATOM 740 CE LYS A 65 4.464 7.465 -4.491 1.00 0.00 C ATOM 741 NZ LYS A 65 5.033 8.098 -5.710 1.00 0.00 N ATOM 0 H LYS A 65 3.148 2.549 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 65 4.689 4.797 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.319 4.864 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.868 4.100 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.465 6.329 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.099 6.151 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.698 7.001 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.448 8.179 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.683 8.091 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.953 6.506 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.753 8.796 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.470 7.368 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.275 8.573 -6.241 1.00 0.00 H new ATOM 755 N VAL A 66 3.744 3.002 -2.114 1.00 0.00 N ATOM 756 CA VAL A 66 4.036 2.677 -0.723 1.00 0.00 C ATOM 757 C VAL A 66 5.540 2.485 -0.509 1.00 0.00 C ATOM 758 O VAL A 66 6.096 2.954 0.484 1.00 0.00 O ATOM 759 CB VAL A 66 3.269 1.410 -0.280 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.754 0.940 1.075 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.775 1.685 -0.239 1.00 0.00 C ATOM 0 H VAL A 66 3.027 2.412 -2.536 1.00 0.00 H new ATOM 0 HA VAL A 66 3.704 3.515 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 66 3.460 0.620 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.202 0.047 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.818 0.708 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.592 1.726 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.248 0.784 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.572 2.489 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.432 1.980 -1.231 1.00 0.00 H new ATOM 771 N TYR A 67 6.201 1.831 -1.460 1.00 0.00 N ATOM 772 CA TYR A 67 7.638 1.612 -1.361 1.00 0.00 C ATOM 773 C TYR A 67 8.401 2.927 -1.535 1.00 0.00 C ATOM 774 O TYR A 67 9.328 3.218 -0.778 1.00 0.00 O ATOM 775 CB TYR A 67 8.111 0.588 -2.395 1.00 0.00 C ATOM 776 CG TYR A 67 9.567 0.221 -2.238 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.005 -0.540 -1.162 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.502 0.624 -3.182 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.335 -0.886 -1.030 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.831 0.282 -3.056 1.00 0.00 C ATOM 781 CZ TYR A 67 12.245 -0.432 -1.918 1.00 0.00 C ATOM 782 OH TYR A 67 13.564 -0.818 -1.859 1.00 0.00 O ATOM 0 H TYR A 67 5.768 1.447 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 67 7.845 1.217 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.504 -0.313 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.949 0.989 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.294 -0.866 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.183 1.215 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.648 -1.521 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.543 0.558 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 67 13.660 -1.559 -1.225 1.00 0.00 H new ATOM 792 N GLU A 68 8.015 3.719 -2.534 1.00 0.00 N ATOM 793 CA GLU A 68 8.621 5.035 -2.743 1.00 0.00 C ATOM 794 C GLU A 68 8.446 5.905 -1.503 1.00 0.00 C ATOM 795 O GLU A 68 9.382 6.547 -1.037 1.00 0.00 O ATOM 796 CB GLU A 68 7.988 5.748 -3.938 1.00 0.00 C ATOM 797 CG GLU A 68 8.038 4.962 -5.234 1.00 0.00 C ATOM 798 CD GLU A 68 7.605 5.799 -6.419 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.386 5.962 -6.627 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.489 6.316 -7.135 1.00 0.00 O ATOM 0 H GLU A 68 7.290 3.475 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 68 9.682 4.880 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.947 5.972 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.494 6.702 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.052 4.597 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.393 4.087 -5.153 1.00 0.00 H new ATOM 807 N LEU A 69 7.238 5.896 -0.973 1.00 0.00 N ATOM 808 CA LEU A 69 6.874 6.690 0.192 1.00 0.00 C ATOM 809 C LEU A 69 7.739 6.348 1.400 1.00 0.00 C ATOM 810 O LEU A 69 7.990 7.202 2.256 1.00 0.00 O ATOM 811 CB LEU A 69 5.403 6.463 0.496 1.00 0.00 C ATOM 812 CG LEU A 69 4.459 6.989 -0.579 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.057 6.442 -0.390 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.457 8.506 -0.573 1.00 0.00 C ATOM 0 H LEU A 69 6.471 5.332 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 69 7.047 7.743 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.230 5.395 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.160 6.943 1.444 1.00 0.00 H new ATOM 0 HG LEU A 69 4.816 6.646 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.405 6.834 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.080 5.354 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.677 6.745 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.780 8.872 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.126 8.866 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.464 8.872 -0.771 1.00 0.00 H new ATOM 826 N MET A 70 8.195 5.104 1.465 1.00 0.00 N ATOM 827 CA MET A 70 9.099 4.678 2.528 1.00 0.00 C ATOM 828 C MET A 70 10.390 5.485 2.486 1.00 0.00 C ATOM 829 O MET A 70 10.834 6.013 3.503 1.00 0.00 O ATOM 830 CB MET A 70 9.442 3.189 2.407 1.00 0.00 C ATOM 831 CG MET A 70 8.263 2.259 2.609 1.00 0.00 C ATOM 832 SD MET A 70 8.703 0.530 2.362 1.00 0.00 S ATOM 833 CE MET A 70 7.096 -0.229 2.535 1.00 0.00 C ATOM 0 H MET A 70 7.955 4.372 0.796 1.00 0.00 H new ATOM 0 HA MET A 70 8.587 4.848 3.475 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.870 3.006 1.421 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.212 2.945 3.139 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.868 2.390 3.617 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.466 2.531 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.048 -0.768 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.326 0.542 2.517 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.932 -0.925 1.712 1.00 0.00 H new ATOM 843 N GLN A 71 10.980 5.592 1.301 1.00 0.00 N ATOM 844 CA GLN A 71 12.230 6.324 1.138 1.00 0.00 C ATOM 845 C GLN A 71 11.969 7.823 1.027 1.00 0.00 C ATOM 846 O GLN A 71 12.888 8.630 1.148 1.00 0.00 O ATOM 847 CB GLN A 71 13.012 5.815 -0.077 1.00 0.00 C ATOM 848 CG GLN A 71 12.168 5.629 -1.322 1.00 0.00 C ATOM 849 CD GLN A 71 13.001 5.373 -2.560 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.126 5.854 -2.673 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.462 4.605 -3.492 1.00 0.00 N ATOM 0 H GLN A 71 10.614 5.182 0.441 1.00 0.00 H new ATOM 0 HA GLN A 71 12.839 6.150 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.816 6.517 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.479 4.864 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.484 4.794 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.557 6.518 -1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.525 4.225 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.984 4.393 -4.343 1.00 0.00 H new ATOM 860 N GLU A 72 10.714 8.192 0.797 1.00 0.00 N ATOM 861 CA GLU A 72 10.315 9.593 0.843 1.00 0.00 C ATOM 862 C GLU A 72 10.261 10.080 2.279 1.00 0.00 C ATOM 863 O GLU A 72 10.238 11.282 2.545 1.00 0.00 O ATOM 864 CB GLU A 72 8.946 9.809 0.208 1.00 0.00 C ATOM 865 CG GLU A 72 8.906 9.576 -1.288 1.00 0.00 C ATOM 866 CD GLU A 72 7.620 10.081 -1.902 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.230 11.232 -1.626 1.00 0.00 O ATOM 868 OE2 GLU A 72 6.983 9.311 -2.656 1.00 0.00 O ATOM 0 H GLU A 72 9.958 7.543 0.578 1.00 0.00 H new ATOM 0 HA GLU A 72 11.060 10.156 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.228 9.143 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.621 10.829 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.753 10.077 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.012 8.511 -1.493 1.00 0.00 H new ATOM 875 N GLY A 73 10.189 9.132 3.200 1.00 0.00 N ATOM 876 CA GLY A 73 10.191 9.462 4.601 1.00 0.00 C ATOM 877 C GLY A 73 8.820 9.854 5.073 1.00 0.00 C ATOM 878 O GLY A 73 8.671 10.671 5.979 1.00 0.00 O ATOM 0 H GLY A 73 10.129 8.134 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.545 8.607 5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.888 10.280 4.783 1.00 0.00 H new ATOM 882 N LYS A 74 7.813 9.283 4.434 1.00 0.00 N ATOM 883 CA LYS A 74 6.440 9.534 4.812 1.00 0.00 C ATOM 884 C LYS A 74 6.126 8.829 6.124 1.00 0.00 C ATOM 885 O LYS A 74 6.827 7.898 6.528 1.00 0.00 O ATOM 886 CB LYS A 74 5.499 9.029 3.731 1.00 0.00 C ATOM 887 CG LYS A 74 5.795 9.604 2.362 1.00 0.00 C ATOM 888 CD LYS A 74 5.309 11.034 2.252 1.00 0.00 C ATOM 889 CE LYS A 74 6.284 11.892 1.476 1.00 0.00 C ATOM 890 NZ LYS A 74 7.409 12.376 2.321 1.00 0.00 N ATOM 0 H LYS A 74 7.925 8.641 3.649 1.00 0.00 H new ATOM 0 HA LYS A 74 6.303 10.608 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.563 7.942 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.474 9.276 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.868 9.566 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.315 8.994 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.336 11.052 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.170 11.450 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.682 11.319 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.756 12.747 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.762 13.279 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.076 12.514 3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.176 11.674 2.313 1.00 0.00 H new ATOM 904 N SER A 75 5.066 9.262 6.766 1.00 0.00 N ATOM 905 CA SER A 75 4.596 8.626 7.984 1.00 0.00 C ATOM 906 C SER A 75 3.572 7.562 7.618 1.00 0.00 C ATOM 907 O SER A 75 3.109 7.537 6.488 1.00 0.00 O ATOM 908 CB SER A 75 3.976 9.667 8.916 1.00 0.00 C ATOM 909 OG SER A 75 4.880 10.730 9.168 1.00 0.00 O ATOM 0 H SER A 75 4.505 10.059 6.465 1.00 0.00 H new ATOM 0 HA SER A 75 5.433 8.161 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.062 10.060 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.694 9.195 9.857 1.00 0.00 H new ATOM 0 HG SER A 75 4.459 11.383 9.765 1.00 0.00 H new ATOM 915 N LYS A 76 3.222 6.688 8.550 1.00 0.00 N ATOM 916 CA LYS A 76 2.268 5.615 8.266 1.00 0.00 C ATOM 917 C LYS A 76 0.977 6.170 7.671 1.00 0.00 C ATOM 918 O LYS A 76 0.581 5.793 6.567 1.00 0.00 O ATOM 919 CB LYS A 76 1.964 4.807 9.526 1.00 0.00 C ATOM 920 CG LYS A 76 2.855 3.582 9.718 1.00 0.00 C ATOM 921 CD LYS A 76 4.301 3.938 10.052 1.00 0.00 C ATOM 922 CE LYS A 76 5.136 4.186 8.807 1.00 0.00 C ATOM 923 NZ LYS A 76 6.564 4.441 9.145 1.00 0.00 N ATOM 0 H LYS A 76 3.579 6.696 9.505 1.00 0.00 H new ATOM 0 HA LYS A 76 2.727 4.953 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.069 5.457 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.924 4.483 9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.446 2.964 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.836 2.981 8.809 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.318 4.828 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.747 3.130 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.067 3.323 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.733 5.039 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.103 4.606 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.632 5.279 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.956 3.616 9.643 1.00 0.00 H new ATOM 937 N LYS A 77 0.341 7.082 8.393 1.00 0.00 N ATOM 938 CA LYS A 77 -0.885 7.718 7.915 1.00 0.00 C ATOM 939 C LYS A 77 -0.582 8.598 6.711 1.00 0.00 C ATOM 940 O LYS A 77 -1.417 8.772 5.832 1.00 0.00 O ATOM 941 CB LYS A 77 -1.515 8.561 9.024 1.00 0.00 C ATOM 942 CG LYS A 77 -1.528 7.865 10.371 1.00 0.00 C ATOM 943 CD LYS A 77 -2.256 6.532 10.308 1.00 0.00 C ATOM 944 CE LYS A 77 -2.205 5.803 11.642 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.941 4.512 11.599 1.00 0.00 N ATOM 0 H LYS A 77 0.651 7.400 9.311 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.588 6.938 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.968 9.500 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.538 8.813 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.504 7.705 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.009 8.508 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.295 6.697 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.808 5.908 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.166 5.619 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.631 6.438 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.786 4.574 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.228 4.308 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.325 3.749 11.945 1.00 0.00 H new ATOM 959 N GLU A 78 0.620 9.146 6.684 1.00 0.00 N ATOM 960 CA GLU A 78 1.048 10.002 5.582 1.00 0.00 C ATOM 961 C GLU A 78 1.162 9.212 4.276 1.00 0.00 C ATOM 962 O GLU A 78 0.751 9.696 3.228 1.00 0.00 O ATOM 963 CB GLU A 78 2.376 10.680 5.923 1.00 0.00 C ATOM 964 CG GLU A 78 2.934 11.549 4.808 1.00 0.00 C ATOM 965 CD GLU A 78 1.982 12.649 4.387 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.284 13.201 5.261 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.945 12.982 3.186 1.00 0.00 O ATOM 0 H GLU A 78 1.322 9.015 7.413 1.00 0.00 H new ATOM 0 HA GLU A 78 0.290 10.772 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.240 11.294 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.109 9.913 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.873 11.994 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.162 10.923 3.945 1.00 0.00 H new ATOM 974 N ILE A 79 1.712 8.002 4.343 1.00 0.00 N ATOM 975 CA ILE A 79 1.812 7.144 3.167 1.00 0.00 C ATOM 976 C ILE A 79 0.428 6.895 2.571 1.00 0.00 C ATOM 977 O ILE A 79 0.206 7.110 1.379 1.00 0.00 O ATOM 978 CB ILE A 79 2.495 5.784 3.484 1.00 0.00 C ATOM 979 CG1 ILE A 79 4.014 5.898 3.364 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.996 4.699 2.542 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.766 5.766 4.670 1.00 0.00 C ATOM 0 H ILE A 79 2.094 7.595 5.197 1.00 0.00 H new ATOM 0 HA ILE A 79 2.437 7.669 2.444 1.00 0.00 H new ATOM 0 HB ILE A 79 2.237 5.516 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.369 5.129 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.258 6.862 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.487 3.756 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.918 4.586 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.225 4.977 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.836 5.860 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.446 6.551 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.559 4.792 5.112 1.00 0.00 H new ATOM 993 N VAL A 80 -0.504 6.462 3.406 1.00 0.00 N ATOM 994 CA VAL A 80 -1.841 6.154 2.935 1.00 0.00 C ATOM 995 C VAL A 80 -2.595 7.426 2.535 1.00 0.00 C ATOM 996 O VAL A 80 -3.332 7.431 1.548 1.00 0.00 O ATOM 997 CB VAL A 80 -2.645 5.334 3.973 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.580 5.962 5.352 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.081 5.192 3.527 1.00 0.00 C ATOM 0 H VAL A 80 -0.359 6.317 4.405 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.732 5.533 2.046 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.193 4.345 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.156 5.359 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.542 6.010 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.995 6.969 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.636 4.613 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.531 6.180 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.114 4.680 2.565 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.391 8.506 3.282 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.971 9.798 2.922 1.00 0.00 C ATOM 1011 C ASP A 81 -2.444 10.248 1.570 1.00 0.00 C ATOM 1012 O ASP A 81 -3.186 10.758 0.739 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.646 10.853 3.979 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.112 12.240 3.579 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.325 12.521 3.685 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.266 13.056 3.161 1.00 0.00 O ATOM 0 H ASP A 81 -1.832 8.515 4.135 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.053 9.682 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.115 10.574 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.570 10.871 4.151 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.155 10.027 1.362 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.499 10.350 0.105 1.00 0.00 C ATOM 1023 C TYR A 82 -1.176 9.590 -1.020 1.00 0.00 C ATOM 1024 O TYR A 82 -1.442 10.134 -2.092 1.00 0.00 O ATOM 1025 CB TYR A 82 0.981 9.959 0.162 1.00 0.00 C ATOM 1026 CG TYR A 82 1.852 10.677 -0.849 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.871 10.290 -2.183 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.664 11.735 -0.463 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.672 10.939 -3.103 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.469 12.389 -1.378 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.471 11.987 -2.694 1.00 0.00 C ATOM 1032 OH TYR A 82 4.272 12.636 -3.610 1.00 0.00 O ATOM 0 H TYR A 82 -0.534 9.618 2.061 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.574 11.423 -0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.361 10.164 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.068 8.884 0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.249 9.468 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.667 12.053 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.673 10.628 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.093 13.211 -1.061 1.00 0.00 H new ATOM 0 HH TYR A 82 4.770 13.350 -3.161 1.00 0.00 H new ATOM 1042 N MET A 83 -1.459 8.326 -0.751 1.00 0.00 N ATOM 1043 CA MET A 83 -2.107 7.461 -1.717 1.00 0.00 C ATOM 1044 C MET A 83 -3.510 7.953 -2.043 1.00 0.00 C ATOM 1045 O MET A 83 -3.837 8.130 -3.204 1.00 0.00 O ATOM 1046 CB MET A 83 -2.154 6.018 -1.209 1.00 0.00 C ATOM 1047 CG MET A 83 -0.788 5.361 -1.103 1.00 0.00 C ATOM 1048 SD MET A 83 -0.704 3.797 -1.991 1.00 0.00 S ATOM 1049 CE MET A 83 -1.109 4.343 -3.645 1.00 0.00 C ATOM 0 H MET A 83 -1.247 7.875 0.139 1.00 0.00 H new ATOM 0 HA MET A 83 -1.517 7.488 -2.633 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.631 6.003 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.780 5.427 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.031 6.039 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.550 5.192 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.111 4.002 -3.906 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.073 5.432 -3.688 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.390 3.929 -4.351 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.332 8.194 -1.028 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.715 8.617 -1.271 1.00 0.00 C ATOM 1061 C VAL A 84 -5.762 10.015 -1.871 1.00 0.00 C ATOM 1062 O VAL A 84 -6.681 10.352 -2.613 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.596 8.571 0.002 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.438 7.246 0.723 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.315 9.743 0.938 1.00 0.00 C ATOM 0 H VAL A 84 -4.076 8.107 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.126 7.899 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.633 8.663 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.067 7.239 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.737 6.434 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.396 7.112 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.956 9.669 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.270 9.719 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.518 10.680 0.419 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.777 10.826 -1.540 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.721 12.183 -2.037 1.00 0.00 C ATOM 1077 C ALA A 85 -4.491 12.207 -3.548 1.00 0.00 C ATOM 1078 O ALA A 85 -5.123 12.977 -4.273 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.630 12.953 -1.316 1.00 0.00 C ATOM 0 H ALA A 85 -4.004 10.567 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.680 12.662 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.594 13.974 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.843 12.971 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.669 12.468 -1.487 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.589 11.355 -4.018 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.212 11.341 -5.431 1.00 0.00 C ATOM 1087 C ARG A 86 -3.947 10.248 -6.207 1.00 0.00 C ATOM 1088 O ARG A 86 -4.434 10.475 -7.311 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.694 11.165 -5.582 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.889 12.409 -5.220 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.843 12.618 -3.718 1.00 0.00 C ATOM 1092 NE ARG A 86 -0.362 13.948 -3.346 1.00 0.00 N ATOM 1093 CZ ARG A 86 -0.117 14.323 -2.089 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.260 13.448 -1.102 1.00 0.00 N ATOM 1095 NH2 ARG A 86 0.263 15.567 -1.824 1.00 0.00 N ATOM 0 H ARG A 86 -3.104 10.665 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.505 12.302 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.369 10.338 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.471 10.887 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.125 12.314 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.332 13.283 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.840 12.468 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.196 11.864 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.205 14.628 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.556 12.493 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.074 13.730 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.369 16.241 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.449 15.849 -0.862 1.00 0.00 H new ATOM 1109 N TYR A 87 -4.037 9.072 -5.612 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.623 7.907 -6.262 1.00 0.00 C ATOM 1111 C TYR A 87 -6.013 7.624 -5.706 1.00 0.00 C ATOM 1112 O TYR A 87 -6.473 6.486 -5.715 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.722 6.685 -6.049 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.306 6.857 -6.557 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.000 6.642 -7.892 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.275 7.227 -5.698 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.709 6.793 -8.362 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.019 7.380 -6.161 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.296 7.161 -7.494 1.00 0.00 C ATOM 1120 OH TYR A 87 1.583 7.314 -7.958 1.00 0.00 O ATOM 0 H TYR A 87 -3.706 8.895 -4.664 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.710 8.113 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.688 6.455 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.172 5.826 -6.546 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.784 6.352 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.489 7.397 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.489 6.623 -9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.808 7.669 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 87 1.938 8.178 -7.660 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.698 8.672 -5.262 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.971 8.505 -4.575 1.00 0.00 C ATOM 1132 C GLY A 88 -9.109 8.070 -5.482 1.00 0.00 C ATOM 1133 O GLY A 88 -10.261 7.995 -5.047 1.00 0.00 O ATOM 0 H GLY A 88 -6.395 9.640 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.850 7.768 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.241 9.447 -4.097 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.801 7.796 -6.740 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.793 7.254 -7.658 1.00 0.00 C ATOM 1139 C ASN A 89 -9.708 5.738 -7.657 1.00 0.00 C ATOM 1140 O ASN A 89 -10.581 5.050 -8.181 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.575 7.782 -9.078 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.634 9.293 -9.159 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -8.611 9.968 -9.053 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -10.828 9.835 -9.342 1.00 0.00 N ATOM 0 H ASN A 89 -7.877 7.939 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.781 7.570 -7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.606 7.441 -9.443 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.331 7.358 -9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.924 10.849 -9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.651 9.239 -9.425 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.640 5.229 -7.060 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.391 3.794 -7.016 1.00 0.00 C ATOM 1153 C PHE A 90 -8.114 3.332 -5.591 1.00 0.00 C ATOM 1154 O PHE A 90 -8.051 2.133 -5.320 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.197 3.433 -7.909 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.348 3.891 -9.335 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.155 3.194 -10.225 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.686 5.025 -9.785 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -8.297 3.621 -11.533 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.826 5.454 -11.092 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.632 4.752 -11.965 1.00 0.00 C ATOM 0 H PHE A 90 -7.927 5.792 -6.596 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.285 3.289 -7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.293 3.875 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.059 2.352 -7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.677 2.309 -9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.054 5.579 -9.106 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.927 3.071 -12.216 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.305 6.338 -11.429 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.743 5.087 -12.986 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.939 4.286 -4.687 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.610 3.977 -3.302 1.00 0.00 C ATOM 1173 C VAL A 91 -8.467 4.825 -2.359 1.00 0.00 C ATOM 1174 O VAL A 91 -9.011 5.854 -2.767 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.105 4.224 -2.994 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.250 4.116 -4.244 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.885 5.573 -2.346 1.00 0.00 C ATOM 0 H VAL A 91 -8.020 5.283 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.818 2.918 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.800 3.444 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.206 4.295 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.353 3.118 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.576 4.857 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.823 5.711 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.233 6.359 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.441 5.622 -1.410 1.00 0.00 H new ATOM 1187 N THR A 92 -8.596 4.386 -1.113 1.00 0.00 N ATOM 1188 CA THR A 92 -9.327 5.138 -0.097 1.00 0.00 C ATOM 1189 C THR A 92 -8.827 4.762 1.300 1.00 0.00 C ATOM 1190 O THR A 92 -8.474 3.614 1.539 1.00 0.00 O ATOM 1191 CB THR A 92 -10.846 4.860 -0.201 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.316 5.193 -1.514 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.629 5.654 0.834 1.00 0.00 C ATOM 0 H THR A 92 -8.201 3.507 -0.779 1.00 0.00 H new ATOM 0 HA THR A 92 -9.153 6.201 -0.266 1.00 0.00 H new ATOM 0 HB THR A 92 -11.004 3.799 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.278 5.013 -1.573 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.692 5.435 0.733 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.295 5.377 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.462 6.720 0.678 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.768 5.722 2.213 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.303 5.430 3.562 1.00 0.00 C ATOM 1203 C TYR A 93 -9.488 5.215 4.491 1.00 0.00 C ATOM 1204 O TYR A 93 -10.128 6.168 4.930 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.409 6.566 4.076 1.00 0.00 C ATOM 1206 CG TYR A 93 -6.793 6.296 5.435 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.544 4.996 5.855 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -6.440 7.337 6.287 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.964 4.737 7.078 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -5.860 7.084 7.518 1.00 0.00 C ATOM 1211 CZ TYR A 93 -5.625 5.782 7.905 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.040 5.519 9.121 1.00 0.00 O ATOM 0 H TYR A 93 -9.031 6.694 2.049 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.712 4.514 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.611 6.742 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.997 7.482 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.810 4.171 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.621 8.358 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.777 3.719 7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.593 7.902 8.171 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.311 4.875 9.001 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.746 3.955 4.804 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.887 3.565 5.624 1.00 0.00 C ATOM 1224 C ASP A 94 -10.649 2.187 6.222 1.00 0.00 C ATOM 1225 O ASP A 94 -9.882 1.398 5.669 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.171 3.529 4.783 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.940 4.835 4.796 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.568 5.151 5.825 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -12.940 5.543 3.764 1.00 0.00 O ATOM 0 H ASP A 94 -9.170 3.171 4.497 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.001 4.300 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.915 3.278 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.817 2.733 5.154 1.00 0.00 H new ATOM 1234 N PRO A 95 -11.295 1.878 7.358 1.00 0.00 N ATOM 1235 CA PRO A 95 -11.293 0.525 7.924 1.00 0.00 C ATOM 1236 C PRO A 95 -11.970 -0.452 6.965 1.00 0.00 C ATOM 1237 O PRO A 95 -12.959 -0.103 6.328 1.00 0.00 O ATOM 1238 CB PRO A 95 -12.111 0.670 9.215 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.918 1.909 9.023 1.00 0.00 C ATOM 1240 CD PRO A 95 -12.071 2.820 8.183 1.00 0.00 C ATOM 0 HA PRO A 95 -10.290 0.138 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.751 -0.197 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.462 0.753 10.087 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.864 1.687 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.159 2.371 9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.679 3.487 7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.424 3.449 8.795 1.00 0.00 H new